Browse entries in the PDBbind-CN Database
HEADER 4RWW_COMPLEX COMPND 4RWW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 MET LYS LEU ILE PHE ALA ILE VAL GLN ASP GLN ASP SER SEQRES 2 A 113 ASN ARG LEU SER ASP ALA LEU THR LYS GLY ASN PHE GLY SEQRES 3 A 113 ALA THR LYS LEU ALA THR THR GLY GLY PHE LEU LYS ALA SEQRES 4 A 113 GLY ASN THR THR PHE ILE ILE GLY THR GLU ASP GLU ARG SEQRES 5 A 113 VAL GLU ASP ALA LEU ALA ILE ILE LYS GLU ASN CYS LYS SEQRES 6 A 113 ALA ARG GLU GLN MET MET THR PRO SER ALA SER LEU GLY SEQRES 7 A 113 VAL THR VAL ASP THR TYR VAL PRO TYR PRO ILE GLU VAL SEQRES 8 A 113 GLN VAL GLY GLY ALA THR VAL PHE VAL MET PRO VAL GLU SEQRES 9 A 113 SER PHE HIS HIS PHE LEU GLU HIS HIS SEQRES 1 B 73 MET LYS LEU ILE PHE ALA ILE VAL GLN ASP GLN ASP SER SEQRES 2 B 73 ASN ARG LEU SER ASP ALA LEU THR LYS GLY ASN PHE GLY SEQRES 3 B 73 ALA THR LYS LEU ALA THR THR GLY GLY PHE LEU LYS ALA SEQRES 4 B 73 GLY ASN THR THR PHE ILE ILE GLY THR GLU ASP GLU ARG SEQRES 5 B 73 VAL GLU ASP ALA LEU ALA ILE ILE LYS GLU ASN CYS LYS SEQRES 6 B 73 ALA ARG GLU GLN MET MET THR PRO SEQRES 1 B 33 THR VAL ASP THR TYR VAL PRO TYR PRO ILE GLU VAL GLN SEQRES 2 B 33 VAL GLY GLY ALA THR VAL PHE VAL MET PRO VAL GLU SER SEQRES 3 B 33 PHE HIS HIS PHE LEU GLU HIS SEQRES 1 C 73 MET LYS LEU ILE PHE ALA ILE VAL GLN ASP GLN ASP SER SEQRES 2 C 73 ASN ARG LEU SER ASP ALA LEU THR LYS GLY ASN PHE GLY SEQRES 3 C 73 ALA THR LYS LEU ALA THR THR GLY GLY PHE LEU LYS ALA SEQRES 4 C 73 GLY ASN THR THR PHE ILE ILE GLY THR GLU ASP GLU ARG SEQRES 5 C 73 VAL GLU ASP ALA LEU ALA ILE ILE LYS GLU ASN CYS LYS SEQRES 6 C 73 ALA ARG GLU GLN MET MET THR PRO SEQRES 1 C 30 THR TYR VAL PRO TYR PRO ILE GLU VAL GLN VAL GLY GLY SEQRES 2 C 30 ALA THR VAL PHE VAL MET PRO VAL GLU SER PHE HIS HIS SEQRES 3 C 30 PHE LEU GLU HIS HET UNN A 620 66 ATOM 1 N MET A 1 77.533 64.400-109.081 1.00 12.23 N ATOM 2 CA MET A 1 76.757 63.840-107.918 1.00 10.79 C ATOM 3 C MET A 1 76.218 65.015-107.089 1.00 9.53 C ATOM 4 O MET A 1 76.801 66.095-107.105 1.00 11.72 O ATOM 5 CB MET A 1 77.714 63.065-107.041 1.00 12.71 C ATOM 6 CG MET A 1 77.015 62.163-106.047 1.00 13.58 C ATOM 7 SD MET A 1 78.232 61.215-105.135 1.00 16.72 S ATOM 8 CE MET A 1 78.821 60.088-106.423 1.00 17.68 C ATOM 9 HN3 MET A 1 78.321 64.977-108.724 1.00 0.00 H ATOM 10 HN2 MET A 1 76.905 64.990-109.663 1.00 0.00 H ATOM 11 HN1 MET A 1 77.907 63.618-109.656 1.00 0.00 H ATOM 12 N LYS A 2 75.092 64.789-106.417 1.00 9.78 N ATOM 13 CA LYS A 2 74.496 65.734-105.545 1.00 8.92 C ATOM 14 C LYS A 2 74.216 65.082-104.206 1.00 9.40 C ATOM 15 O LYS A 2 74.121 63.849-104.086 1.00 9.08 O ATOM 16 CB LYS A 2 73.180 66.248-106.125 1.00 9.52 C ATOM 17 CG LYS A 2 73.306 66.874-107.508 1.00 10.89 C ATOM 18 CD LYS A 2 74.254 68.042-107.626 1.00 13.54 C ATOM 19 CE LYS A 2 74.414 68.317-109.141 1.00 21.00 C ATOM 20 NZ LYS A 2 75.433 69.282-109.497 1.00 22.54 N ATOM 21 HZ1 LYS A 2 75.212 70.197-109.055 1.00 0.00 H ATOM 22 HZ2 LYS A 2 76.358 68.947-109.160 1.00 0.00 H ATOM 23 HZ3 LYS A 2 75.458 69.392-110.531 1.00 0.00 H ATOM 24 H LYS A 2 74.624 63.868-106.538 1.00 0.00 H ATOM 25 N LEU A 3 74.143 65.923-103.171 1.00 8.63 N ATOM 26 CA LEU A 3 73.781 65.476-101.829 1.00 9.30 C ATOM 27 C LEU A 3 72.560 66.225-101.371 1.00 9.59 C ATOM 28 O LEU A 3 72.559 67.442-101.358 1.00 9.07 O ATOM 29 CB LEU A 3 74.935 65.747-100.855 1.00 9.90 C ATOM 30 CG LEU A 3 74.773 65.083 -99.487 1.00 11.12 C ATOM 31 CD1 LEU A 3 74.743 63.574 -99.623 1.00 11.32 C ATOM 32 CD2 LEU A 3 75.925 65.490 -98.548 1.00 11.55 C ATOM 33 H LEU A 3 74.351 66.930-103.326 1.00 0.00 H ATOM 34 N ILE A 4 71.476 65.499-101.185 1.00 8.47 N ATOM 35 CA ILE A 4 70.163 66.095-100.902 1.00 8.27 C ATOM 36 C ILE A 4 69.976 66.060 -99.375 1.00 9.19 C ATOM 37 O ILE A 4 70.059 65.008 -98.760 1.00 9.58 O ATOM 38 CB ILE A 4 69.063 65.273-101.618 1.00 10.89 C ATOM 39 CG1 ILE A 4 69.288 65.254-103.132 1.00 11.83 C ATOM 40 CG2 ILE A 4 67.664 65.829-101.291 1.00 14.33 C ATOM 41 CD1 ILE A 4 68.338 64.312-103.890 1.00 12.59 C ATOM 42 H ILE A 4 71.553 64.463-101.241 1.00 0.00 H ATOM 43 N PHE A 5 69.581 67.186 -98.785 1.00 8.19 N ATOM 44 CA PHE A 5 69.197 67.238 -97.395 1.00 8.84 C ATOM 45 C PHE A 5 67.696 67.515 -97.388 1.00 9.88 C ATOM 46 O PHE A 5 67.238 68.507 -97.932 1.00 9.85 O ATOM 47 CB PHE A 5 69.931 68.344 -96.656 1.00 10.34 C ATOM 48 CG PHE A 5 71.402 68.093 -96.481 1.00 12.69 C ATOM 49 CD1 PHE A 5 71.919 67.782 -95.249 1.00 14.35 C ATOM 50 CD2 PHE A 5 72.276 68.287 -97.523 1.00 16.77 C ATOM 51 CE1 PHE A 5 73.260 67.505 -95.110 1.00 14.65 C ATOM 52 CE2 PHE A 5 73.604 67.973 -97.397 1.00 15.58 C ATOM 53 CZ PHE A 5 74.102 67.676 -96.166 1.00 14.51 C ATOM 54 H PHE A 5 69.548 68.061 -99.347 1.00 0.00 H ATOM 55 N ALA A 6 66.938 66.598 -96.837 1.00 9.59 N ATOM 56 CA ALA A 6 65.472 66.748 -96.810 1.00 8.51 C ATOM 57 C ALA A 6 64.961 66.660 -95.374 1.00 11.00 C ATOM 58 O ALA A 6 65.194 65.663 -94.718 1.00 11.39 O ATOM 59 CB ALA A 6 64.834 65.691 -97.630 1.00 10.00 C ATOM 60 H ALA A 6 67.376 65.755 -96.414 1.00 0.00 H ATOM 61 N ILE A 7 64.203 67.671 -94.943 1.00 9.29 N ATOM 62 CA ILE A 7 63.634 67.701 -93.610 1.00 8.88 C ATOM 63 C ILE A 7 62.161 67.359 -93.756 1.00 9.09 C ATOM 64 O ILE A 7 61.441 68.019 -94.475 1.00 8.18 O ATOM 65 CB ILE A 7 63.786 69.095 -92.893 1.00 9.35 C ATOM 66 CG1 ILE A 7 65.235 69.474 -92.724 1.00 11.67 C ATOM 67 CG2 ILE A 7 63.179 69.078 -91.508 1.00 10.45 C ATOM 68 CD1 ILE A 7 65.727 70.494 -93.717 1.00 13.23 C ATOM 69 H ILE A 7 64.014 68.466 -95.587 1.00 0.00 H ATOM 70 N VAL A 8 61.763 66.281 -93.121 1.00 9.37 N ATOM 71 CA VAL A 8 60.428 65.696 -93.299 1.00 9.89 C ATOM 72 C VAL A 8 59.807 65.426 -91.939 1.00 9.74 C ATOM 73 O VAL A 8 60.483 65.384 -90.916 1.00 10.69 O ATOM 74 CB VAL A 8 60.495 64.378 -94.181 1.00 11.87 C ATOM 75 CG1 VAL A 8 61.363 64.596 -95.425 1.00 10.92 C ATOM 76 CG2 VAL A 8 61.027 63.198 -93.420 1.00 13.19 C ATOM 77 H VAL A 8 62.423 65.821 -92.462 1.00 0.00 H ATOM 78 N GLN A 9 58.506 65.175 -91.937 1.00 11.15 N ATOM 79 CA GLN A 9 57.799 64.879 -90.726 1.00 12.40 C ATOM 80 C GLN A 9 58.050 63.422 -90.316 1.00 11.80 C ATOM 81 O GLN A 9 58.157 62.509 -91.153 1.00 14.05 O ATOM 82 CB GLN A 9 56.298 65.161 -90.935 1.00 12.39 C ATOM 83 CG GLN A 9 55.956 66.619 -91.293 1.00 13.78 C ATOM 84 CD GLN A 9 54.533 66.805 -91.828 1.00 15.80 C ATOM 85 OE1 GLN A 9 54.306 67.431 -92.879 1.00 17.06 O ATOM 86 NE2 GLN A 9 53.581 66.288 -91.113 1.00 17.98 N ATOM 87 HE22 GLN A 9 53.809 65.771 -90.240 1.00 0.00 H ATOM 88 HE21 GLN A 9 52.591 66.391 -91.413 1.00 0.00 H ATOM 89 H GLN A 9 57.985 65.193 -92.837 1.00 0.00 H ATOM 90 N ASP A 10 58.081 63.210 -89.010 1.00 11.65 N ATOM 91 CA ASP A 10 58.258 61.872 -88.439 1.00 12.95 C ATOM 92 C ASP A 10 57.270 60.853 -88.980 1.00 12.70 C ATOM 93 O ASP A 10 57.639 59.678 -89.256 1.00 14.59 O ATOM 94 CB ASP A 10 58.184 61.925 -86.911 1.00 14.59 C ATOM 95 CG ASP A 10 59.439 62.499 -86.289 1.00 20.23 C ATOM 96 OD1 ASP A 10 60.432 62.699 -87.033 1.00 16.47 O ATOM 97 OD2 ASP A 10 59.418 62.790 -85.067 1.00 21.06 O ATOM 98 H ASP A 10 57.976 64.021 -88.367 1.00 0.00 H ATOM 99 N GLN A 11 56.036 61.306 -89.194 1.00 16.29 N ATOM 100 CA GLN A 11 54.947 60.423 -89.696 1.00 18.78 C ATOM 101 C GLN A 11 55.253 59.824 -91.071 1.00 15.33 C ATOM 102 O GLN A 11 54.771 58.710 -91.397 1.00 18.30 O ATOM 103 CB GLN A 11 53.619 61.187 -89.776 1.00 21.33 C ATOM 104 CG GLN A 11 53.195 61.716 -88.428 1.00 28.16 C ATOM 105 CD GLN A 11 53.516 63.196 -88.238 1.00 32.64 C ATOM 106 OE1 GLN A 11 54.698 63.607 -88.050 1.00 25.03 O ATOM 107 NE2 GLN A 11 52.448 64.003 -88.161 1.00 38.28 N ATOM 108 HE22 GLN A 11 51.495 63.621 -88.323 1.00 0.00 H ATOM 109 HE21 GLN A 11 52.573 65.011 -87.939 1.00 0.00 H ATOM 110 H GLN A 11 55.827 62.307 -89.005 1.00 0.00 H ATOM 111 N ASP A 12 56.103 60.512 -91.848 1.00 13.55 N ATOM 112 CA ASP A 12 56.460 60.074 -93.214 1.00 13.99 C ATOM 113 C ASP A 12 57.847 59.383 -93.309 1.00 13.42 C ATOM 114 O ASP A 12 58.222 58.863 -94.378 1.00 14.51 O ATOM 115 CB ASP A 12 56.374 61.259 -94.176 1.00 13.99 C ATOM 116 CG ASP A 12 54.973 61.807 -94.284 1.00 18.01 C ATOM 117 OD1 ASP A 12 53.998 61.005 -94.176 1.00 17.17 O ATOM 118 OD2 ASP A 12 54.803 63.042 -94.488 1.00 16.04 O ATOM 119 H ASP A 12 56.526 61.386 -91.476 1.00 0.00 H ATOM 120 N SER A 13 58.558 59.325 -92.194 1.00 13.12 N ATOM 121 CA SER A 13 59.961 58.917 -92.210 1.00 12.70 C ATOM 122 C SER A 13 60.103 57.454 -92.649 1.00 15.35 C ATOM 123 O SER A 13 60.896 57.127 -93.531 1.00 13.95 O ATOM 124 CB SER A 13 60.593 59.120 -90.846 1.00 14.63 C ATOM 125 OG SER A 13 61.916 58.610 -90.777 1.00 16.93 O ATOM 126 HG SER A 13 62.282 58.767 -89.871 1.00 0.00 H ATOM 127 H SER A 13 58.110 59.575 -91.289 1.00 0.00 H ATOM 128 N ASN A 14 59.322 56.561 -92.043 1.00 15.46 N ATOM 129 CA ASN A 14 59.429 55.154 -92.422 1.00 17.58 C ATOM 130 C ASN A 14 58.998 54.882 -93.864 1.00 15.46 C ATOM 131 O ASN A 14 59.666 54.123 -94.585 1.00 16.03 O ATOM 132 CB ASN A 14 58.635 54.257 -91.445 1.00 19.87 C ATOM 133 CG ASN A 14 59.279 54.164 -90.079 1.00 28.90 C ATOM 134 OD1 ASN A 14 60.432 54.556 -89.873 1.00 36.08 O ATOM 135 ND2 ASN A 14 58.534 53.609 -89.124 1.00 33.29 N ATOM 136 HD22 ASN A 14 57.567 53.292 -89.337 1.00 0.00 H ATOM 137 HD21 ASN A 14 58.920 53.493 -88.165 1.00 0.00 H ATOM 138 H ASN A 14 58.646 56.861 -91.311 1.00 0.00 H ATOM 139 N ARG A 15 57.927 55.530 -94.301 1.00 15.69 N ATOM 140 CA ARG A 15 57.415 55.381 -95.647 1.00 16.95 C ATOM 141 C ARG A 15 58.440 55.915 -96.669 1.00 14.87 C ATOM 142 O ARG A 15 58.698 55.301 -97.699 1.00 15.27 O ATOM 143 CB ARG A 15 56.125 56.158 -95.762 1.00 21.83 C ATOM 144 CG ARG A 15 55.458 56.078 -97.083 1.00 27.95 C ATOM 145 CD ARG A 15 54.304 57.080 -97.123 1.00 32.38 C ATOM 146 NE ARG A 15 53.751 57.175 -98.464 1.00 39.13 N ATOM 147 CZ ARG A 15 52.845 58.080 -98.846 1.00 50.94 C ATOM 148 NH1 ARG A 15 52.402 59.000 -97.988 1.00 50.57 N ATOM 149 NH2 ARG A 15 52.399 58.080-100.099 1.00 48.97 N ATOM 150 HE ARG A 15 54.083 56.492 -99.175 1.00 0.00 H ATOM 151 HH12 ARG A 15 51.697 59.700 -98.295 1.00 0.00 H ATOM 152 HH11 ARG A 15 52.762 59.017 -97.012 1.00 0.00 H ATOM 153 HH22 ARG A 15 51.694 58.783-100.400 1.00 0.00 H ATOM 154 HH21 ARG A 15 52.755 57.377-100.778 1.00 0.00 H ATOM 155 H ARG A 15 57.434 56.173 -93.649 1.00 0.00 H ATOM 156 N LEU A 16 59.073 57.035 -96.352 1.00 12.91 N ATOM 157 CA LEU A 16 60.074 57.594 -97.266 1.00 11.36 C ATOM 158 C LEU A 16 61.300 56.687 -97.357 1.00 12.43 C ATOM 159 O LEU A 16 61.775 56.396 -98.452 1.00 14.32 O ATOM 160 CB LEU A 16 60.479 58.996 -96.815 1.00 12.06 C ATOM 161 CG LEU A 16 61.606 59.575 -97.683 1.00 12.50 C ATOM 162 CD1 LEU A 16 61.266 59.628 -99.161 1.00 13.91 C ATOM 163 CD2 LEU A 16 61.906 60.984 -97.194 1.00 14.17 C ATOM 164 H LEU A 16 58.860 57.517 -95.456 1.00 0.00 H ATOM 165 N SER A 17 61.786 56.205 -96.216 1.00 11.96 N ATOM 166 CA SER A 17 62.942 55.304 -96.196 1.00 11.89 C ATOM 167 C SER A 17 62.641 54.073 -97.052 1.00 12.22 C ATOM 168 O SER A 17 63.458 53.672 -97.840 1.00 12.78 O ATOM 169 CB SER A 17 63.293 54.880 -94.764 1.00 12.08 C ATOM 170 OG SER A 17 63.972 55.902 -94.050 1.00 9.18 O ATOM 171 HG SER A 17 64.815 56.127 -94.519 1.00 0.00 H ATOM 172 H SER A 17 61.335 56.474 -95.318 1.00 0.00 H ATOM 173 N ASP A 18 61.478 53.463 -96.850 1.00 13.84 N ATOM 174 CA ASP A 18 61.091 52.273 -97.635 1.00 15.29 C ATOM 175 C ASP A 18 61.031 52.566 -99.132 1.00 13.92 C ATOM 176 O ASP A 18 61.558 51.799 -99.961 1.00 14.38 O ATOM 177 CB ASP A 18 59.720 51.757 -97.176 1.00 16.51 C ATOM 178 CG ASP A 18 59.770 51.043 -95.847 1.00 20.94 C ATOM 179 OD1 ASP A 18 60.856 50.865 -95.264 1.00 24.92 O ATOM 180 OD2 ASP A 18 58.678 50.775 -95.307 1.00 28.35 O ATOM 181 H ASP A 18 60.828 53.830 -96.126 1.00 0.00 H ATOM 182 N ALA A 19 60.503 53.736 -99.491 1.00 12.26 N ATOM 183 CA ALA A 19 60.374 54.113-100.885 1.00 12.30 C ATOM 184 C ALA A 19 61.725 54.390-101.518 1.00 11.79 C ATOM 185 O ALA A 19 61.954 54.066-102.658 1.00 11.70 O ATOM 186 CB ALA A 19 59.475 55.339-101.031 1.00 13.90 C ATOM 187 H ALA A 19 60.176 54.393 -98.754 1.00 0.00 H ATOM 188 N LEU A 20 62.633 55.006-100.765 1.00 10.12 N ATOM 189 CA LEU A 20 63.961 55.219-101.294 1.00 9.41 C ATOM 190 C LEU A 20 64.662 53.892-101.556 1.00 11.44 C ATOM 191 O LEU A 20 65.276 53.736-102.592 1.00 11.78 O ATOM 192 CB LEU A 20 64.807 56.097-100.341 1.00 11.08 C ATOM 193 CG LEU A 20 64.364 57.545-100.216 1.00 11.35 C ATOM 194 CD1 LEU A 20 65.011 58.234 -98.991 1.00 12.25 C ATOM 195 CD2 LEU A 20 64.685 58.309-101.485 1.00 12.22 C ATOM 196 H LEU A 20 62.390 55.330 -99.807 1.00 0.00 H ATOM 197 N THR A 21 64.657 52.996-100.587 1.00 12.44 N ATOM 198 CA THR A 21 65.264 51.670-100.766 1.00 13.39 C ATOM 199 C THR A 21 64.662 50.935-101.971 1.00 12.41 C ATOM 200 O THR A 21 65.384 50.387-102.791 1.00 12.54 O ATOM 201 CB THR A 21 65.086 50.815 -99.507 1.00 17.37 C ATOM 202 OG1 THR A 21 65.801 51.430 -98.417 1.00 18.20 O ATOM 203 CG2 THR A 21 65.615 49.361 -99.777 1.00 19.40 C ATOM 204 HG1 THR A 21 65.440 52.338 -98.258 1.00 0.00 H ATOM 205 H THR A 21 64.214 53.234 -99.677 1.00 0.00 H ATOM 206 N LYS A 22 63.335 50.934-102.094 1.00 12.59 N ATOM 207 CA LYS A 22 62.679 50.276-103.231 1.00 14.55 C ATOM 208 C LYS A 22 63.129 50.878-104.552 1.00 14.56 C ATOM 209 O LYS A 22 63.288 50.160-105.545 1.00 16.81 O ATOM 210 CB LYS A 22 61.168 50.381-103.088 1.00 18.37 C ATOM 211 CG LYS A 22 60.393 49.655-104.191 1.00 27.15 C ATOM 212 CD LYS A 22 58.914 50.017-104.174 1.00 31.87 C ATOM 213 CE LYS A 22 58.120 49.105-105.084 1.00 37.18 C ATOM 214 NZ LYS A 22 56.660 49.216-104.831 1.00 42.95 N ATOM 215 HZ1 LYS A 22 56.459 48.953-103.845 1.00 0.00 H ATOM 216 HZ2 LYS A 22 56.354 50.196-104.999 1.00 0.00 H ATOM 217 HZ3 LYS A 22 56.149 48.577-105.473 1.00 0.00 H ATOM 218 H LYS A 22 62.754 51.407-101.373 1.00 0.00 H ATOM 219 N GLY A 23 63.421 52.175-104.536 1.00 12.00 N ATOM 220 CA GLY A 23 63.940 52.877-105.691 1.00 10.81 C ATOM 221 C GLY A 23 65.451 52.856-105.894 1.00 10.66 C ATOM 222 O GLY A 23 65.985 53.515-106.791 1.00 12.11 O ATOM 223 H GLY A 23 63.270 52.708-103.656 1.00 0.00 H ATOM 224 N ASN A 24 66.146 52.127-105.021 1.00 11.36 N ATOM 225 CA ASN A 24 67.573 51.932-105.072 1.00 11.05 C ATOM 226 C ASN A 24 68.294 53.239-104.856 1.00 11.26 C ATOM 227 O ASN A 24 69.347 53.484-105.443 1.00 10.54 O ATOM 228 CB ASN A 24 67.971 51.241-106.404 1.00 11.94 C ATOM 229 CG ASN A 24 69.429 50.799-106.484 1.00 11.85 C ATOM 230 OD1 ASN A 24 70.128 50.527-105.468 1.00 14.69 O ATOM 231 ND2 ASN A 24 69.879 50.632-107.682 1.00 10.28 N ATOM 232 HD22 ASN A 24 69.280 50.865-108.500 1.00 0.00 H ATOM 233 HD21 ASN A 24 70.841 50.265-107.830 1.00 0.00 H ATOM 234 H ASN A 24 65.622 51.667-104.249 1.00 0.00 H ATOM 235 N PHE A 25 67.758 54.063-103.953 1.00 10.65 N ATOM 236 CA PHE A 25 68.507 55.245-103.473 1.00 11.67 C ATOM 237 C PHE A 25 69.045 54.940-102.079 1.00 12.06 C ATOM 238 O PHE A 25 68.284 54.512-101.226 1.00 13.51 O ATOM 239 CB PHE A 25 67.598 56.442-103.382 1.00 11.48 C ATOM 240 CG PHE A 25 67.276 57.022-104.721 1.00 11.79 C ATOM 241 CD1 PHE A 25 68.186 57.836-105.343 1.00 12.41 C ATOM 242 CD2 PHE A 25 66.117 56.695-105.364 1.00 12.42 C ATOM 243 CE1 PHE A 25 67.933 58.374-106.588 1.00 12.65 C ATOM 244 CE2 PHE A 25 65.850 57.207-106.630 1.00 12.91 C ATOM 245 CZ PHE A 25 66.743 58.052-107.217 1.00 12.31 C ATOM 246 H PHE A 25 66.805 53.872-103.583 1.00 0.00 H ATOM 247 N GLY A 26 70.325 55.227-101.867 1.00 12.67 N ATOM 248 CA GLY A 26 70.901 55.147-100.540 1.00 11.56 C ATOM 249 C GLY A 26 70.511 56.375 -99.753 1.00 11.15 C ATOM 250 O GLY A 26 70.160 57.422-100.308 1.00 10.64 O ATOM 251 H GLY A 26 70.924 55.514-102.667 1.00 0.00 H ATOM 252 N ALA A 27 70.627 56.261 -98.444 1.00 9.50 N ATOM 253 CA ALA A 27 70.109 57.314 -97.553 1.00 10.03 C ATOM 254 C ALA A 27 70.648 57.072 -96.180 1.00 11.52 C ATOM 255 O ALA A 27 70.826 55.904 -95.725 1.00 9.81 O ATOM 256 CB ALA A 27 68.610 57.346 -97.500 1.00 13.07 C ATOM 257 H ALA A 27 71.088 55.422 -98.038 1.00 0.00 H ATOM 258 N THR A 28 70.865 58.180 -95.476 1.00 9.01 N ATOM 259 CA THR A 28 71.179 58.149 -94.071 1.00 9.20 C ATOM 260 C THR A 28 70.213 59.128 -93.411 1.00 10.97 C ATOM 261 O THR A 28 69.926 60.188 -93.974 1.00 11.86 O ATOM 262 CB THR A 28 72.648 58.579 -93.906 1.00 9.77 C ATOM 263 OG1 THR A 28 73.502 57.631 -94.551 1.00 9.10 O ATOM 264 CG2 THR A 28 73.038 58.718 -92.480 1.00 11.02 C ATOM 265 HG1 THR A 28 74.445 57.911 -94.443 1.00 0.00 H ATOM 266 H THR A 28 70.806 59.100 -95.957 1.00 0.00 H ATOM 267 N LYS A 29 69.673 58.789 -92.237 1.00 9.99 N ATOM 268 CA LYS A 29 68.834 59.758 -91.568 1.00 12.00 C ATOM 269 C LYS A 29 69.118 59.991 -90.131 1.00 12.42 C ATOM 270 O LYS A 29 69.755 59.192 -89.474 1.00 9.75 O ATOM 271 CB LYS A 29 67.398 59.462 -91.782 1.00 13.27 C ATOM 272 CG LYS A 29 66.931 58.210 -91.069 1.00 12.23 C ATOM 273 CD LYS A 29 65.466 57.940 -91.441 1.00 17.04 C ATOM 274 CE LYS A 29 64.922 56.704 -90.751 1.00 20.59 C ATOM 275 NZ LYS A 29 63.535 56.365 -91.210 1.00 21.62 N ATOM 276 HZ1 LYS A 29 62.898 57.160 -91.001 1.00 0.00 H ATOM 277 HZ2 LYS A 29 63.544 56.187 -92.235 1.00 0.00 H ATOM 278 HZ3 LYS A 29 63.205 55.514 -90.712 1.00 0.00 H ATOM 279 H LYS A 29 69.851 57.855 -91.816 1.00 0.00 H ATOM 280 N LEU A 30 68.558 61.073 -89.616 1.00 13.82 N ATOM 281 CA LEU A 30 68.678 61.374 -88.217 1.00 17.09 C ATOM 282 C LEU A 30 67.487 62.142 -87.698 1.00 15.45 C ATOM 283 O LEU A 30 66.855 62.903 -88.400 1.00 12.85 O ATOM 284 CB LEU A 30 69.957 62.162 -87.951 1.00 28.39 C ATOM 285 CG LEU A 30 70.133 63.420 -88.825 1.00 23.07 C ATOM 286 CD1 LEU A 30 70.767 64.448 -87.924 1.00 35.64 C ATOM 287 CD2 LEU A 30 70.996 63.170 -90.040 1.00 29.13 C ATOM 288 H LEU A 30 68.022 61.716 -90.234 1.00 0.00 H ATOM 289 N ALA A 31 67.198 61.931 -86.422 1.00 15.93 N ATOM 290 CA ALA A 31 66.175 62.673 -85.716 1.00 16.21 C ATOM 291 C ALA A 31 66.650 64.094 -85.461 1.00 15.37 C ATOM 292 O ALA A 31 67.761 64.312 -84.992 1.00 15.43 O ATOM 293 CB ALA A 31 65.858 61.994 -84.377 1.00 21.17 C ATOM 294 H ALA A 31 67.729 61.201 -85.906 1.00 0.00 H ATOM 295 N THR A 32 65.791 65.043 -85.783 1.00 13.45 N ATOM 296 CA THR A 32 66.122 66.459 -85.642 1.00 11.92 C ATOM 297 C THR A 32 64.932 67.127 -84.987 1.00 11.29 C ATOM 298 O THR A 32 63.965 66.462 -84.596 1.00 12.31 O ATOM 299 CB THR A 32 66.457 67.097 -87.013 1.00 12.21 C ATOM 300 OG1 THR A 32 65.460 66.776 -87.972 1.00 11.86 O ATOM 301 CG2 THR A 32 67.793 66.599 -87.524 1.00 13.19 C ATOM 302 HG1 THR A 32 64.584 67.120 -87.664 1.00 0.00 H ATOM 303 H THR A 32 64.854 64.776 -86.147 1.00 0.00 H ATOM 304 N THR A 33 65.036 68.420 -84.715 1.00 11.09 N ATOM 305 CA THR A 33 63.870 69.198 -84.284 1.00 11.53 C ATOM 306 C THR A 33 63.806 70.484 -85.099 1.00 12.22 C ATOM 307 O THR A 33 64.858 71.025 -85.553 1.00 11.21 O ATOM 308 CB THR A 33 63.851 69.563 -82.804 1.00 14.28 C ATOM 309 OG1 THR A 33 65.038 70.269 -82.485 1.00 15.76 O ATOM 310 CG2 THR A 33 63.760 68.344 -81.925 1.00 18.92 C ATOM 311 HG1 THR A 33 65.823 69.697 -82.677 1.00 0.00 H ATOM 312 H THR A 33 65.959 68.890 -84.809 1.00 0.00 H ATOM 313 N GLY A 34 62.595 71.013 -85.255 1.00 9.67 N ATOM 314 CA GLY A 34 62.391 72.252 -85.985 1.00 10.44 C ATOM 315 C GLY A 34 62.606 73.453 -85.124 1.00 11.03 C ATOM 316 O GLY A 34 62.307 73.453 -83.898 1.00 12.56 O ATOM 317 H GLY A 34 61.773 70.527 -84.843 1.00 0.00 H ATOM 318 N GLY A 35 63.184 74.490 -85.726 1.00 9.76 N ATOM 319 CA GLY A 35 63.457 75.678 -84.993 1.00 10.54 C ATOM 320 C GLY A 35 62.194 76.418 -84.576 1.00 13.83 C ATOM 321 O GLY A 35 62.203 77.116 -83.566 1.00 14.35 O ATOM 322 H GLY A 35 63.436 74.432 -86.733 1.00 0.00 H ATOM 323 N PHE A 36 61.096 76.292 -85.321 1.00 11.94 N ATOM 324 CA PHE A 36 59.842 77.018 -84.936 1.00 11.93 C ATOM 325 C PHE A 36 58.962 76.245 -83.967 1.00 12.60 C ATOM 326 O PHE A 36 58.607 76.765 -82.919 1.00 13.63 O ATOM 327 CB PHE A 36 59.042 77.381 -86.177 1.00 11.51 C ATOM 328 CG PHE A 36 57.845 78.274 -85.890 1.00 10.81 C ATOM 329 CD1 PHE A 36 56.593 77.816 -86.044 1.00 12.86 C ATOM 330 CD2 PHE A 36 58.031 79.523 -85.327 1.00 13.14 C ATOM 331 CE1 PHE A 36 55.513 78.630 -85.812 1.00 12.27 C ATOM 332 CE2 PHE A 36 56.965 80.343 -85.060 1.00 12.45 C ATOM 333 CZ PHE A 36 55.701 79.859 -85.239 1.00 14.06 C ATOM 334 H PHE A 36 61.109 75.690 -86.169 1.00 0.00 H ATOM 335 N LEU A 37 58.611 75.014 -84.281 1.00 10.91 N ATOM 336 CA LEU A 37 57.687 74.283 -83.413 1.00 12.60 C ATOM 337 C LEU A 37 58.415 73.562 -82.275 1.00 12.95 C ATOM 338 O LEU A 37 57.801 73.129 -81.280 1.00 13.89 O ATOM 339 CB LEU A 37 56.835 73.308 -84.242 1.00 12.65 C ATOM 340 CG LEU A 37 55.836 73.957 -85.163 1.00 13.00 C ATOM 341 CD1 LEU A 37 55.080 72.899 -85.957 1.00 13.76 C ATOM 342 CD2 LEU A 37 54.835 74.869 -84.451 1.00 15.28 C ATOM 343 H LEU A 37 58.988 74.565 -85.140 1.00 0.00 H ATOM 344 N LYS A 38 59.736 73.451 -82.384 1.00 13.31 N ATOM 345 CA LYS A 38 60.534 72.813 -81.370 1.00 14.10 C ATOM 346 C LYS A 38 60.070 71.401 -81.125 1.00 16.28 C ATOM 347 O LYS A 38 60.129 70.872 -80.009 1.00 18.19 O ATOM 348 CB LYS A 38 60.564 73.707 -80.113 1.00 15.53 C ATOM 349 CG LYS A 38 61.341 74.978 -80.404 1.00 19.20 C ATOM 350 CD LYS A 38 61.584 75.829 -79.169 1.00 25.20 C ATOM 351 CE LYS A 38 62.080 77.210 -79.525 1.00 24.79 C ATOM 352 NZ LYS A 38 62.256 78.003 -78.265 1.00 27.58 N ATOM 353 HZ1 LYS A 38 61.344 78.073 -77.771 1.00 0.00 H ATOM 354 HZ2 LYS A 38 62.948 77.528 -77.652 1.00 0.00 H ATOM 355 HZ3 LYS A 38 62.598 78.956 -78.502 1.00 0.00 H ATOM 356 H LYS A 38 60.207 73.837 -83.227 1.00 0.00 H ATOM 357 N ALA A 39 59.670 70.737 -82.194 1.00 13.56 N ATOM 358 CA ALA A 39 59.189 69.394 -82.098 1.00 16.74 C ATOM 359 C ALA A 39 60.008 68.463 -82.965 1.00 14.88 C ATOM 360 O ALA A 39 60.762 68.900 -83.858 1.00 13.87 O ATOM 361 CB ALA A 39 57.718 69.332 -82.468 1.00 18.68 C ATOM 362 H ALA A 39 59.706 71.200 -83.124 1.00 0.00 H ATOM 363 N GLY A 40 59.896 67.181 -82.704 1.00 14.04 N ATOM 364 CA GLY A 40 60.690 66.205 -83.467 1.00 12.80 C ATOM 365 C GLY A 40 60.349 66.160 -84.950 1.00 12.21 C ATOM 366 O GLY A 40 59.180 66.276 -85.338 1.00 13.77 O ATOM 367 H GLY A 40 59.247 66.856 -81.959 1.00 0.00 H ATOM 368 N ASN A 41 61.382 66.089 -85.795 1.00 11.15 N ATOM 369 CA ASN A 41 61.195 65.770 -87.199 1.00 11.36 C ATOM 370 C ASN A 41 62.398 64.952 -87.626 1.00 11.17 C ATOM 371 O ASN A 41 63.162 64.501 -86.779 1.00 10.95 O ATOM 372 CB ASN A 41 60.895 66.984 -88.085 1.00 10.27 C ATOM 373 CG ASN A 41 61.909 68.113 -87.968 1.00 11.44 C ATOM 374 OD1 ASN A 41 63.023 67.936 -87.488 1.00 11.45 O ATOM 375 ND2 ASN A 41 61.473 69.328 -88.381 1.00 11.37 N ATOM 376 HD22 ASN A 41 60.519 69.429 -88.782 1.00 0.00 H ATOM 377 HD21 ASN A 41 62.093 70.159 -88.297 1.00 0.00 H ATOM 378 H ASN A 41 62.343 66.266 -85.438 1.00 0.00 H ATOM 379 N THR A 42 62.520 64.674 -88.921 1.00 10.67 N ATOM 380 CA THR A 42 63.590 63.805 -89.394 1.00 10.69 C ATOM 381 C THR A 42 64.297 64.474 -90.551 1.00 10.68 C ATOM 382 O THR A 42 63.659 65.023 -91.438 1.00 12.28 O ATOM 383 CB THR A 42 63.016 62.453 -89.851 1.00 13.60 C ATOM 384 OG1 THR A 42 62.365 61.810 -88.735 1.00 14.39 O ATOM 385 CG2 THR A 42 64.099 61.532 -90.353 1.00 13.86 C ATOM 386 HG1 THR A 42 63.023 61.663 -88.010 1.00 0.00 H ATOM 387 H THR A 42 61.846 65.080 -89.601 1.00 0.00 H ATOM 388 N THR A 43 65.609 64.364 -90.555 1.00 10.62 N ATOM 389 CA THR A 43 66.425 64.881 -91.666 1.00 10.25 C ATOM 390 C THR A 43 67.108 63.737 -92.406 1.00 11.35 C ATOM 391 O THR A 43 67.765 62.896 -91.782 1.00 11.13 O ATOM 392 CB THR A 43 67.445 65.911 -91.201 1.00 12.98 C ATOM 393 OG1 THR A 43 66.739 67.007 -90.579 1.00 12.88 O ATOM 394 CG2 THR A 43 68.286 66.426 -92.395 1.00 14.01 C ATOM 395 HG1 THR A 43 66.223 66.669 -89.805 1.00 0.00 H ATOM 396 H THR A 43 66.081 63.900 -89.753 1.00 0.00 H ATOM 397 N PHE A 44 66.880 63.670 -93.721 1.00 10.00 N ATOM 398 CA PHE A 44 67.456 62.661 -94.596 1.00 9.34 C ATOM 399 C PHE A 44 68.627 63.272 -95.345 1.00 9.86 C ATOM 400 O PHE A 44 68.552 64.435 -95.733 1.00 11.88 O ATOM 401 CB PHE A 44 66.453 62.180 -95.654 1.00 9.85 C ATOM 402 CG PHE A 44 65.469 61.164 -95.154 1.00 9.99 C ATOM 403 CD1 PHE A 44 65.555 59.867 -95.560 1.00 11.20 C ATOM 404 CD2 PHE A 44 64.445 61.540 -94.320 1.00 11.99 C ATOM 405 CE1 PHE A 44 64.665 58.923 -95.070 1.00 14.20 C ATOM 406 CE2 PHE A 44 63.562 60.610 -93.832 1.00 11.77 C ATOM 407 CZ PHE A 44 63.702 59.300 -94.186 1.00 12.09 C ATOM 408 H PHE A 44 66.252 64.383 -94.145 1.00 0.00 H ATOM 409 N ILE A 45 69.691 62.495 -95.501 1.00 9.20 N ATOM 410 CA ILE A 45 70.826 62.831 -96.353 1.00 8.77 C ATOM 411 C ILE A 45 70.891 61.769 -97.431 1.00 9.36 C ATOM 412 O ILE A 45 71.027 60.580 -97.129 1.00 9.40 O ATOM 413 CB ILE A 45 72.149 62.808 -95.531 1.00 11.44 C ATOM 414 CG1 ILE A 45 72.063 63.798 -94.379 1.00 13.50 C ATOM 415 CG2 ILE A 45 73.274 63.131 -96.425 1.00 12.44 C ATOM 416 CD1 ILE A 45 73.224 63.696 -93.413 1.00 16.35 C ATOM 417 H ILE A 45 69.717 61.592 -94.985 1.00 0.00 H ATOM 418 N ILE A 46 70.716 62.183 -98.676 1.00 7.35 N ATOM 419 CA ILE A 46 70.539 61.239 -99.797 1.00 8.38 C ATOM 420 C ILE A 46 71.532 61.633-100.879 1.00 8.22 C ATOM 421 O ILE A 46 71.350 62.649-101.558 1.00 8.49 O ATOM 422 CB ILE A 46 69.114 61.314-100.366 1.00 8.65 C ATOM 423 CG1 ILE A 46 68.085 60.990 -99.288 1.00 10.28 C ATOM 424 CG2 ILE A 46 68.940 60.456-101.599 1.00 9.27 C ATOM 425 CD1 ILE A 46 66.717 61.569 -99.578 1.00 11.67 C ATOM 426 H ILE A 46 70.703 63.205 -98.870 1.00 0.00 H ATOM 427 N GLY A 47 72.571 60.842-101.084 1.00 7.91 N ATOM 428 CA GLY A 47 73.537 61.119-102.161 1.00 8.03 C ATOM 429 C GLY A 47 73.067 60.432-103.444 1.00 8.94 C ATOM 430 O GLY A 47 72.640 59.269-103.395 1.00 8.96 O ATOM 431 H GLY A 47 72.709 60.010-100.475 1.00 0.00 H ATOM 432 N THR A 48 73.223 61.101-104.575 1.00 9.21 N ATOM 433 CA THR A 48 72.653 60.571-105.828 1.00 9.36 C ATOM 434 C THR A 48 73.467 61.111-106.980 1.00 9.20 C ATOM 435 O THR A 48 73.869 62.283-107.016 1.00 10.39 O ATOM 436 CB THR A 48 71.161 60.987-105.981 1.00 14.58 C ATOM 437 OG1 THR A 48 70.691 60.753-107.286 1.00 19.89 O ATOM 438 CG2 THR A 48 70.985 62.422-105.780 1.00 17.90 C ATOM 439 HG1 THR A 48 71.230 61.278-107.929 1.00 0.00 H ATOM 440 H THR A 48 73.747 61.999-104.580 1.00 0.00 H ATOM 441 N GLU A 49 73.611 60.286-108.014 1.00 8.58 N ATOM 442 CA GLU A 49 74.187 60.780-109.256 1.00 8.63 C ATOM 443 C GLU A 49 73.264 61.832-109.905 1.00 10.21 C ATOM 444 O GLU A 49 72.045 61.809-109.701 1.00 9.48 O ATOM 445 CB GLU A 49 74.379 59.613-110.181 1.00 8.97 C ATOM 446 CG GLU A 49 75.383 58.624-109.658 1.00 10.42 C ATOM 447 CD GLU A 49 74.801 57.548-108.734 1.00 12.08 C ATOM 448 OE1 GLU A 49 73.593 57.461-108.495 1.00 11.01 O ATOM 449 OE2 GLU A 49 75.608 56.725-108.271 1.00 13.04 O ATOM 450 H GLU A 49 73.313 59.293-107.935 1.00 0.00 H ATOM 451 N ASP A 50 73.854 62.721-110.695 1.00 10.88 N ATOM 452 CA ASP A 50 73.089 63.826-111.324 1.00 11.97 C ATOM 453 C ASP A 50 71.855 63.332-112.123 1.00 11.62 C ATOM 454 O ASP A 50 70.776 63.897-112.035 1.00 12.06 O ATOM 455 CB ASP A 50 73.974 64.617-112.267 1.00 13.30 C ATOM 456 CG ASP A 50 75.153 65.313-111.583 1.00 16.35 C ATOM 457 OD1 ASP A 50 75.237 65.365-110.344 1.00 15.68 O ATOM 458 OD2 ASP A 50 76.006 65.848-112.324 1.00 18.97 O ATOM 459 H ASP A 50 74.875 62.641-110.877 1.00 0.00 H ATOM 460 N GLU A 51 72.019 62.250-112.873 1.00 11.08 N ATOM 461 CA GLU A 51 70.949 61.627-113.643 1.00 11.63 C ATOM 462 C GLU A 51 69.718 61.294-112.834 1.00 11.60 C ATOM 463 O GLU A 51 68.590 61.294-113.374 1.00 11.93 O ATOM 464 CB GLU A 51 71.459 60.329-114.337 1.00 12.75 C ATOM 465 CG GLU A 51 70.402 59.574-115.129 1.00 12.69 C ATOM 466 CD GLU A 51 70.973 58.328-115.841 1.00 12.63 C ATOM 467 OE1 GLU A 51 70.209 57.661-116.578 1.00 15.74 O ATOM 468 OE2 GLU A 51 72.170 58.030-115.644 1.00 12.63 O ATOM 469 H GLU A 51 72.966 61.821-112.914 1.00 0.00 H ATOM 470 N ARG A 52 69.921 61.005-111.522 1.00 8.89 N ATOM 471 CA ARG A 52 68.896 60.421-110.663 1.00 8.93 C ATOM 472 C ARG A 52 68.214 61.429-109.733 1.00 9.31 C ATOM 473 O ARG A 52 67.281 61.089-109.015 1.00 9.78 O ATOM 474 CB ARG A 52 69.455 59.259-109.842 1.00 9.11 C ATOM 475 CG ARG A 52 70.275 58.219-110.659 1.00 9.48 C ATOM 476 CD ARG A 52 70.496 56.952-109.820 1.00 9.74 C ATOM 477 NE ARG A 52 69.253 56.244-109.614 1.00 10.02 N ATOM 478 CZ ARG A 52 68.990 55.449-108.590 1.00 10.85 C ATOM 479 NH1 ARG A 52 69.847 55.369-107.604 1.00 12.18 N ATOM 480 NH2 ARG A 52 67.813 54.864-108.482 1.00 12.80 N ATOM 481 HE ARG A 52 68.506 56.369-110.327 1.00 0.00 H ATOM 482 HH12 ARG A 52 69.651 54.747-106.794 1.00 0.00 H ATOM 483 HH11 ARG A 52 70.724 55.927-107.631 1.00 0.00 H ATOM 484 HH22 ARG A 52 67.614 54.240-107.674 1.00 0.00 H ATOM 485 HH21 ARG A 52 67.083 55.026-109.205 1.00 0.00 H ATOM 486 H ARG A 52 70.853 61.210-111.109 1.00 0.00 H ATOM 487 N VAL A 53 68.680 62.653-109.768 1.00 9.34 N ATOM 488 CA VAL A 53 68.199 63.670-108.819 1.00 10.74 C ATOM 489 C VAL A 53 66.703 63.875-108.935 1.00 11.81 C ATOM 490 O VAL A 53 65.988 63.866-107.931 1.00 10.89 O ATOM 491 CB VAL A 53 68.973 65.002-108.971 1.00 9.91 C ATOM 492 CG1 VAL A 53 68.293 66.129-108.159 1.00 11.14 C ATOM 493 CG2 VAL A 53 70.382 64.840-108.503 1.00 10.49 C ATOM 494 H VAL A 53 69.399 62.909-110.475 1.00 0.00 H ATOM 495 N GLU A 54 66.181 63.999-110.166 1.00 12.23 N ATOM 496 CA GLU A 54 64.754 64.221-110.310 1.00 14.68 C ATOM 497 C GLU A 54 63.932 63.028-109.868 1.00 12.71 C ATOM 498 O GLU A 54 62.906 63.224-109.230 1.00 13.94 O ATOM 499 CB GLU A 54 64.417 64.636-111.753 1.00 18.36 C ATOM 500 CG GLU A 54 64.961 66.018-112.106 1.00 22.78 C ATOM 501 CD GLU A 54 64.329 67.146-111.301 1.00 34.84 C ATOM 502 OE1 GLU A 54 63.147 67.029-110.884 1.00 45.21 O ATOM 503 OE2 GLU A 54 65.011 68.172-111.101 1.00 42.77 O ATOM 504 H GLU A 54 66.792 63.937-111.006 1.00 0.00 H ATOM 505 N ASP A 55 64.457 61.799-110.032 1.00 12.13 N ATOM 506 CA ASP A 55 63.780 60.641-109.501 1.00 12.30 C ATOM 507 C ASP A 55 63.729 60.660-107.940 1.00 11.31 C ATOM 508 O ASP A 55 62.728 60.299-107.344 1.00 12.07 O ATOM 509 CB ASP A 55 64.451 59.358-109.964 1.00 13.28 C ATOM 510 CG ASP A 55 64.127 58.976-111.402 1.00 22.46 C ATOM 511 OD1 ASP A 55 63.167 59.517-111.986 1.00 25.94 O ATOM 512 OD2 ASP A 55 64.824 58.055-111.927 1.00 29.56 O ATOM 513 H ASP A 55 65.355 61.684-110.544 1.00 0.00 H ATOM 514 N ALA A 56 64.822 61.060-107.297 1.00 10.81 N ATOM 515 CA ALA A 56 64.876 61.108-105.834 1.00 9.95 C ATOM 516 C ALA A 56 63.903 62.142-105.321 1.00 8.55 C ATOM 517 O ALA A 56 63.141 61.888-104.389 1.00 10.61 O ATOM 518 CB ALA A 56 66.303 61.461-105.362 1.00 9.88 C ATOM 519 H ALA A 56 65.658 61.345-107.846 1.00 0.00 H ATOM 520 N LEU A 57 63.874 63.296-105.968 1.00 10.00 N ATOM 521 CA LEU A 57 62.906 64.346-105.594 1.00 11.22 C ATOM 522 C LEU A 57 61.487 63.918-105.786 1.00 11.16 C ATOM 523 O LEU A 57 60.622 64.218-104.963 1.00 12.22 O ATOM 524 CB LEU A 57 63.148 65.628-106.373 1.00 11.01 C ATOM 525 CG LEU A 57 64.506 66.266-106.114 1.00 12.68 C ATOM 526 CD1 LEU A 57 64.780 67.432-107.053 1.00 14.37 C ATOM 527 CD2 LEU A 57 64.626 66.719-104.664 1.00 12.19 C ATOM 528 H LEU A 57 64.540 63.465-106.748 1.00 0.00 H ATOM 529 N ALA A 58 61.214 63.157-106.846 1.00 10.96 N ATOM 530 CA ALA A 58 59.884 62.637-107.032 1.00 11.96 C ATOM 531 C ALA A 58 59.440 61.702-105.916 1.00 11.10 C ATOM 532 O ALA A 58 58.279 61.692-105.510 1.00 12.89 O ATOM 533 CB ALA A 58 59.807 61.930-108.390 1.00 10.95 C ATOM 534 H ALA A 58 61.960 62.939-107.537 1.00 0.00 H ATOM 535 N ILE A 59 60.352 60.837-105.469 1.00 10.80 N ATOM 536 CA ILE A 59 60.057 59.934-104.415 1.00 11.17 C ATOM 537 C ILE A 59 59.759 60.714-103.116 1.00 11.84 C ATOM 538 O ILE A 59 58.834 60.381-102.344 1.00 12.83 O ATOM 539 CB ILE A 59 61.208 58.908-104.229 1.00 10.76 C ATOM 540 CG1 ILE A 59 61.177 57.892-105.396 1.00 12.81 C ATOM 541 CG2 ILE A 59 61.021 58.161-102.918 1.00 12.55 C ATOM 542 CD1 ILE A 59 62.356 56.929-105.360 1.00 13.90 C ATOM 543 H ILE A 59 61.298 60.824-105.902 1.00 0.00 H ATOM 544 N ILE A 60 60.569 61.738-102.856 1.00 11.71 N ATOM 545 CA ILE A 60 60.347 62.576-101.681 1.00 10.70 C ATOM 546 C ILE A 60 58.990 63.260-101.774 1.00 10.85 C ATOM 547 O ILE A 60 58.200 63.212-100.820 1.00 11.94 O ATOM 548 CB ILE A 60 61.444 63.645-101.516 1.00 10.55 C ATOM 549 CG1 ILE A 60 62.821 62.987-101.260 1.00 11.25 C ATOM 550 CG2 ILE A 60 61.071 64.594-100.370 1.00 10.66 C ATOM 551 CD1 ILE A 60 64.009 63.921-101.393 1.00 12.02 C ATOM 552 H ILE A 60 61.365 61.942-103.494 1.00 0.00 H ATOM 553 N LYS A 61 58.708 63.855-102.927 1.00 10.78 N ATOM 554 CA LYS A 61 57.419 64.574-103.128 1.00 12.66 C ATOM 555 C LYS A 61 56.239 63.608-102.927 1.00 14.13 C ATOM 556 O LYS A 61 55.186 64.003-102.401 1.00 16.24 O ATOM 557 CB LYS A 61 57.373 65.201-104.523 1.00 14.55 C ATOM 558 CG LYS A 61 56.165 66.060-104.779 1.00 18.28 C ATOM 559 CD LYS A 61 56.296 66.772-106.117 1.00 19.57 C ATOM 560 CE LYS A 61 54.938 67.285-106.577 1.00 25.89 C ATOM 561 NZ LYS A 61 55.105 68.272-107.670 1.00 30.53 N ATOM 562 HZ1 LYS A 61 55.673 69.073-107.328 1.00 0.00 H ATOM 563 HZ2 LYS A 61 55.588 67.820-108.473 1.00 0.00 H ATOM 564 HZ3 LYS A 61 54.170 68.613-107.973 1.00 0.00 H ATOM 565 H LYS A 61 59.399 63.818-103.703 1.00 0.00 H ATOM 566 N GLU A 62 56.345 62.391-103.448 1.00 13.46 N ATOM 567 CA GLU A 62 55.248 61.415-103.404 1.00 16.85 C ATOM 568 C GLU A 62 54.963 60.870-101.998 1.00 17.88 C ATOM 569 O GLU A 62 53.816 60.538-101.660 1.00 19.41 O ATOM 570 CB GLU A 62 55.570 60.233-104.346 1.00 20.60 C ATOM 571 CG GLU A 62 54.642 59.033-104.216 1.00 30.36 C ATOM 572 CD GLU A 62 53.220 59.306-104.679 1.00 40.65 C ATOM 573 OE1 GLU A 62 53.019 60.234-105.492 1.00 46.07 O ATOM 574 OE2 GLU A 62 52.301 58.569-104.239 1.00 43.77 O ATOM 575 H GLU A 62 57.239 62.119-103.905 1.00 0.00 H ATOM 576 N ASN A 63 55.991 60.807-101.155 1.00 14.66 N ATOM 577 CA ASN A 63 55.882 60.117 -99.887 1.00 13.91 C ATOM 578 C ASN A 63 55.808 61.025 -98.648 1.00 15.54 C ATOM 579 O ASN A 63 55.621 60.530 -97.533 1.00 18.38 O ATOM 580 CB ASN A 63 57.023 59.116 -99.762 1.00 14.76 C ATOM 581 CG ASN A 63 56.856 57.946-100.722 1.00 17.52 C ATOM 582 OD1 ASN A 63 56.070 57.039-100.432 1.00 21.06 O ATOM 583 ND2 ASN A 63 57.532 57.982-101.877 1.00 15.93 N ATOM 584 HD22 ASN A 63 58.183 58.769-102.074 1.00 0.00 H ATOM 585 HD21 ASN A 63 57.406 57.223-102.577 1.00 0.00 H ATOM 586 H ASN A 63 56.890 61.262-101.412 1.00 0.00 H ATOM 587 N CYS A 64 55.943 62.332 -98.845 1.00 13.88 N ATOM 588 CA CYS A 64 56.012 63.305 -97.726 1.00 15.32 C ATOM 589 C CYS A 64 54.925 64.335 -97.934 1.00 20.15 C ATOM 590 O CYS A 64 55.055 65.184 -98.834 1.00 25.45 O ATOM 591 CB CYS A 64 57.363 63.995 -97.712 1.00 16.68 C ATOM 592 SG CYS A 64 58.764 62.904 -97.535 1.00 18.79 S ATOM 593 H CYS A 64 56.003 62.687 -99.821 1.00 0.00 H ATOM 594 N LYS A 65 53.940 64.334 -97.022 1.00 14.33 N ATOM 595 CA LYS A 65 52.689 65.066 -97.185 1.00 17.22 C ATOM 596 C LYS A 65 52.644 66.255 -96.223 1.00 13.38 C ATOM 597 O LYS A 65 53.024 66.124 -95.072 1.00 14.55 O ATOM 598 CB LYS A 65 51.472 64.202 -96.809 1.00 24.00 C ATOM 599 CG LYS A 65 51.278 62.832 -97.453 1.00 33.49 C ATOM 600 CD LYS A 65 49.763 62.510 -97.565 1.00 43.44 C ATOM 601 CE LYS A 65 49.028 62.403 -96.213 1.00 43.46 C ATOM 602 NZ LYS A 65 47.540 62.169 -96.348 1.00 46.61 N ATOM 603 HZ1 LYS A 65 47.112 62.959 -96.872 1.00 0.00 H ATOM 604 HZ2 LYS A 65 47.375 61.280 -96.862 1.00 0.00 H ATOM 605 HZ3 LYS A 65 47.113 62.108 -95.402 1.00 0.00 H ATOM 606 H LYS A 65 54.076 63.781 -96.152 1.00 0.00 H ATOM 607 N ALA A 66 52.095 67.359 -96.683 1.00 12.64 N ATOM 608 CA ALA A 66 51.867 68.538 -95.860 1.00 12.36 C ATOM 609 C ALA A 66 50.755 68.247 -94.881 1.00 13.37 C ATOM 610 O ALA A 66 49.731 67.574 -95.235 1.00 14.18 O ATOM 611 CB ALA A 66 51.503 69.722 -96.717 1.00 12.08 C ATOM 612 H ALA A 66 51.810 67.391 -97.683 1.00 0.00 H ATOM 613 N ARG A 67 50.943 68.701 -93.652 1.00 11.87 N ATOM 614 CA ARG A 67 49.918 68.566 -92.594 1.00 12.08 C ATOM 615 C ARG A 67 49.842 69.816 -91.758 1.00 14.76 C ATOM 616 O ARG A 67 50.745 70.630 -91.759 1.00 15.83 O ATOM 617 CB ARG A 67 50.235 67.390 -91.699 1.00 12.10 C ATOM 618 CG ARG A 67 50.218 66.046 -92.354 1.00 14.62 C ATOM 619 CD ARG A 67 50.563 64.974 -91.333 1.00 16.08 C ATOM 620 NE ARG A 67 50.526 63.659 -91.949 1.00 19.97 N ATOM 621 CZ ARG A 67 51.558 63.126 -92.601 1.00 22.30 C ATOM 622 NH1 ARG A 67 52.705 63.776 -92.676 1.00 19.55 N ATOM 623 NH2 ARG A 67 51.429 61.961 -93.214 1.00 22.05 N ATOM 624 HE ARG A 67 49.649 63.105 -91.877 1.00 0.00 H ATOM 625 HH12 ARG A 67 53.508 63.356 -93.186 1.00 0.00 H ATOM 626 HH11 ARG A 67 52.805 64.708 -92.225 1.00 0.00 H ATOM 627 HH22 ARG A 67 52.237 61.548 -93.722 1.00 0.00 H ATOM 628 HH21 ARG A 67 50.519 61.458 -93.188 1.00 0.00 H ATOM 629 H ARG A 67 51.843 69.169 -93.422 1.00 0.00 H ATOM 630 N GLU A 68 48.708 70.031 -91.102 1.00 12.14 N ATOM 631 CA GLU A 68 48.699 70.944 -89.976 1.00 12.03 C ATOM 632 C GLU A 68 49.135 70.281 -88.677 1.00 12.79 C ATOM 633 O GLU A 68 48.765 69.126 -88.340 1.00 13.73 O ATOM 634 CB GLU A 68 47.299 71.597 -89.815 1.00 10.19 C ATOM 635 CG GLU A 68 46.961 72.485 -90.946 1.00 12.19 C ATOM 636 CD GLU A 68 45.587 73.105 -90.847 1.00 15.38 C ATOM 637 OE1 GLU A 68 45.061 73.136 -89.760 1.00 16.56 O ATOM 638 OE2 GLU A 68 45.129 73.649 -91.859 1.00 18.15 O ATOM 639 H GLU A 68 47.834 69.549 -91.393 1.00 0.00 H ATOM 640 N GLN A 69 49.969 70.992 -87.913 1.00 12.17 N ATOM 641 CA GLN A 69 50.486 70.490 -86.655 1.00 12.03 C ATOM 642 C GLN A 69 50.145 71.462 -85.542 1.00 13.67 C ATOM 643 O GLN A 69 50.266 72.649 -85.727 1.00 13.00 O ATOM 644 CB GLN A 69 52.030 70.309 -86.772 1.00 15.37 C ATOM 645 CG GLN A 69 52.683 69.512 -85.686 1.00 18.21 C ATOM 646 CD GLN A 69 54.179 69.216 -85.943 1.00 18.08 C ATOM 647 OE1 GLN A 69 55.034 69.502 -85.086 1.00 24.50 O ATOM 648 NE2 GLN A 69 54.488 68.709 -87.104 1.00 16.98 N ATOM 649 HE22 GLN A 69 53.739 68.485 -87.790 1.00 0.00 H ATOM 650 HE21 GLN A 69 55.484 68.528 -87.344 1.00 0.00 H ATOM 651 H GLN A 69 50.258 71.939 -88.232 1.00 0.00 H ATOM 652 N MET A 70 49.784 70.963 -84.364 1.00 15.20 N ATOM 653 CA MET A 70 49.468 71.862 -83.264 1.00 18.80 C ATOM 654 C MET A 70 50.716 72.491 -82.694 1.00 19.44 C ATOM 655 O MET A 70 51.726 71.808 -82.497 1.00 22.02 O ATOM 656 CB MET A 70 48.687 71.130 -82.157 1.00 24.61 C ATOM 657 CG MET A 70 47.225 71.502 -82.141 1.00 29.65 C ATOM 658 SD MET A 70 46.449 70.471 -80.925 1.00 32.63 S ATOM 659 CE MET A 70 46.443 71.629 -79.555 1.00 31.35 C ATOM 660 H MET A 70 49.728 69.933 -84.229 1.00 0.00 H ATOM 661 N MET A 71 50.635 73.783 -82.435 1.00 18.01 N ATOM 662 CA MET A 71 51.656 74.487 -81.694 1.00 20.36 C ATOM 663 C MET A 71 51.509 74.113 -80.229 1.00 24.24 C ATOM 664 O MET A 71 50.392 73.992 -79.748 1.00 30.86 O ATOM 665 CB MET A 71 51.435 75.954 -81.865 1.00 23.12 C ATOM 666 CG MET A 71 52.142 76.796 -80.830 1.00 32.06 C ATOM 667 SD MET A 71 52.313 78.412 -81.525 1.00 39.07 S ATOM 668 CE MET A 71 53.506 77.956 -82.751 1.00 23.22 C ATOM 669 H MET A 71 49.807 74.312 -82.776 1.00 0.00 H ATOM 670 N THR A 72 52.611 73.834 -79.539 1.00 32.21 N ATOM 671 CA THR A 72 52.509 73.504 -78.112 1.00 38.58 C ATOM 672 C THR A 72 51.850 74.661 -77.396 1.00 40.09 C ATOM 673 O THR A 72 52.281 75.793 -77.551 1.00 34.19 O ATOM 674 CB THR A 72 53.871 73.238 -77.458 1.00 39.26 C ATOM 675 OG1 THR A 72 54.512 72.168 -78.149 1.00 40.18 O ATOM 676 CG2 THR A 72 53.689 72.845 -75.977 1.00 38.55 C ATOM 677 HG1 THR A 72 55.393 71.989 -77.734 1.00 0.00 H ATOM 678 H THR A 72 53.539 73.849 -80.007 1.00 0.00 H ATOM 679 N PRO A 73 50.783 74.378 -76.621 1.00 51.23 N ATOM 680 CA PRO A 73 50.028 75.470 -76.009 1.00 56.58 C ATOM 681 C PRO A 73 50.843 76.213 -74.952 1.00 60.18 C ATOM 682 O PRO A 73 51.937 75.766 -74.579 1.00 59.35 O ATOM 683 CB PRO A 73 48.812 74.764 -75.371 1.00 55.50 C ATOM 684 CG PRO A 73 48.867 73.335 -75.835 1.00 59.38 C ATOM 685 CD PRO A 73 50.310 73.064 -76.157 1.00 57.37 C ATOM 686 N SER A 74 50.327 77.360 -74.515 1.00 59.50 N ATOM 687 CA SER A 74 51.051 78.227 -73.591 1.00 55.19 C ATOM 688 C SER A 74 51.275 77.523 -72.264 1.00 53.81 C ATOM 689 O SER A 74 50.328 77.011 -71.652 1.00 60.53 O ATOM 690 CB SER A 74 50.278 79.522 -73.342 1.00 54.06 C ATOM 691 OG SER A 74 50.656 80.072 -72.091 1.00 49.48 O ATOM 692 HG SER A 74 50.451 79.424 -71.371 1.00 0.00 H ATOM 693 H SER A 74 49.382 77.646 -74.841 1.00 0.00 H ATOM 694 N ALA A 75 52.513 77.539 -71.788 1.00 41.30 N ATOM 695 CA ALA A 75 52.818 76.937 -70.481 1.00 50.68 C ATOM 696 C ALA A 75 52.634 77.944 -69.321 1.00 41.29 C ATOM 697 O ALA A 75 53.094 77.697 -68.209 1.00 57.59 O ATOM 698 CB ALA A 75 54.231 76.366 -70.470 1.00 48.23 C ATOM 699 H ALA A 75 53.274 77.980 -72.343 1.00 0.00 H ATOM 700 N SER A 76 51.958 79.059 -69.583 1.00 36.98 N ATOM 701 CA SER A 76 51.788 80.113 -68.577 1.00 36.68 C ATOM 702 C SER A 76 50.882 79.695 -67.400 1.00 36.53 C ATOM 703 O SER A 76 49.780 79.150 -67.600 1.00 28.09 O ATOM 704 CB SER A 76 51.259 81.368 -69.230 1.00 42.10 C ATOM 705 OG SER A 76 51.135 82.413 -68.283 1.00 52.04 O ATOM 706 HG SER A 76 50.787 83.224 -68.732 1.00 0.00 H ATOM 707 H SER A 76 51.539 79.187 -70.526 1.00 0.00 H ATOM 708 N LEU A 77 51.333 80.020 -66.182 1.00 30.56 N ATOM 709 CA LEU A 77 50.755 79.481 -64.960 1.00 26.29 C ATOM 710 C LEU A 77 49.429 80.180 -64.696 1.00 22.52 C ATOM 711 O LEU A 77 49.358 81.395 -64.452 1.00 25.60 O ATOM 712 CB LEU A 77 51.709 79.653 -63.748 1.00 25.89 C ATOM 713 CG LEU A 77 51.272 79.076 -62.385 1.00 26.44 C ATOM 714 CD1 LEU A 77 51.018 77.574 -62.457 1.00 29.58 C ATOM 715 CD2 LEU A 77 52.322 79.348 -61.298 1.00 28.17 C ATOM 716 H LEU A 77 52.129 80.685 -66.106 1.00 0.00 H ATOM 717 N GLY A 78 48.393 79.394 -64.570 1.00 18.53 N ATOM 718 CA GLY A 78 47.204 79.963 -64.012 1.00 17.09 C ATOM 719 C GLY A 78 47.031 79.611 -62.557 1.00 17.55 C ATOM 720 O GLY A 78 47.885 78.925 -61.932 1.00 18.19 O ATOM 721 H GLY A 78 48.431 78.397 -64.863 1.00 0.00 H ATOM 722 N VAL A 79 45.943 80.099 -62.007 1.00 14.02 N ATOM 723 CA VAL A 79 45.558 79.812 -60.634 1.00 15.02 C ATOM 724 C VAL A 79 44.456 78.754 -60.529 1.00 14.10 C ATOM 725 O VAL A 79 44.363 78.014 -59.527 1.00 16.30 O ATOM 726 CB VAL A 79 45.156 81.115 -59.882 1.00 16.75 C ATOM 727 CG1 VAL A 79 44.031 81.849 -60.578 1.00 20.08 C ATOM 728 CG2 VAL A 79 44.878 80.828 -58.424 1.00 19.82 C ATOM 729 H VAL A 79 45.331 80.717 -62.577 1.00 0.00 H ATOM 730 N THR A 80 43.550 78.707 -61.520 1.00 12.51 N ATOM 731 CA THR A 80 42.493 77.751 -61.460 1.00 11.94 C ATOM 732 C THR A 80 43.057 76.324 -61.323 1.00 11.20 C ATOM 733 O THR A 80 44.011 75.967 -61.996 1.00 13.33 O ATOM 734 CB THR A 80 41.587 77.895 -62.695 1.00 12.06 C ATOM 735 OG1 THR A 80 40.953 79.184 -62.613 1.00 11.74 O ATOM 736 CG2 THR A 80 40.526 76.779 -62.767 1.00 13.33 C ATOM 737 HG1 THR A 80 40.360 79.309 -63.396 1.00 0.00 H ATOM 738 H THR A 80 43.619 79.362 -62.325 1.00 0.00 H ATOM 739 N VAL A 81 42.419 75.531 -60.487 1.00 11.24 N ATOM 740 CA VAL A 81 42.761 74.131 -60.353 1.00 11.90 C ATOM 741 C VAL A 81 42.085 73.357 -61.494 1.00 10.14 C ATOM 742 O VAL A 81 40.942 72.896 -61.388 1.00 12.77 O ATOM 743 CB VAL A 81 42.352 73.563 -58.988 1.00 13.03 C ATOM 744 CG1 VAL A 81 42.739 72.095 -58.894 1.00 14.13 C ATOM 745 CG2 VAL A 81 43.032 74.344 -57.873 1.00 15.80 C ATOM 746 H VAL A 81 41.649 75.921 -59.908 1.00 0.00 H ATOM 747 N ASP A 82 42.832 73.223 -62.560 1.00 11.19 N ATOM 748 CA ASP A 82 42.348 72.562 -63.782 1.00 12.12 C ATOM 749 C ASP A 82 43.435 72.179 -64.734 1.00 12.47 C ATOM 750 O ASP A 82 44.569 72.695 -64.703 1.00 13.14 O ATOM 751 CB ASP A 82 41.268 73.430 -64.511 1.00 11.36 C ATOM 752 CG ASP A 82 41.818 74.616 -65.266 1.00 13.80 C ATOM 753 OD1 ASP A 82 42.789 75.228 -64.841 1.00 12.88 O ATOM 754 OD2 ASP A 82 41.155 75.058 -66.242 1.00 14.01 O ATOM 755 H ASP A 82 43.802 73.597 -62.543 1.00 0.00 H ATOM 756 N THR A 83 43.051 71.315 -65.672 1.00 13.32 N ATOM 757 CA THR A 83 43.740 71.193 -66.929 1.00 15.26 C ATOM 758 C THR A 83 43.028 72.006 -67.995 1.00 12.67 C ATOM 759 O THR A 83 41.912 71.653 -68.384 1.00 13.05 O ATOM 760 CB THR A 83 43.715 69.720 -67.358 1.00 19.20 C ATOM 761 OG1 THR A 83 44.363 68.928 -66.340 1.00 22.33 O ATOM 762 CG2 THR A 83 44.429 69.537 -68.678 1.00 20.03 C ATOM 763 HG1 THR A 83 44.352 67.975 -66.608 1.00 0.00 H ATOM 764 H THR A 83 42.226 70.709 -65.490 1.00 0.00 H ATOM 765 N TYR A 84 43.673 73.063 -68.447 1.00 12.12 N ATOM 766 CA TYR A 84 43.078 74.033 -69.362 1.00 11.87 C ATOM 767 C TYR A 84 43.464 73.727 -70.811 1.00 12.28 C ATOM 768 O TYR A 84 44.641 73.491 -71.123 1.00 13.63 O ATOM 769 CB TYR A 84 43.538 75.448 -69.021 1.00 11.84 C ATOM 770 CG TYR A 84 43.037 76.517 -69.967 1.00 10.34 C ATOM 771 CD1 TYR A 84 41.683 76.801 -70.075 1.00 11.23 C ATOM 772 CD2 TYR A 84 43.913 77.401 -70.588 1.00 10.37 C ATOM 773 CE1 TYR A 84 41.237 77.813 -70.910 1.00 12.49 C ATOM 774 CE2 TYR A 84 43.458 78.377 -71.427 1.00 11.99 C ATOM 775 CZ TYR A 84 42.111 78.588 -71.561 1.00 12.05 C ATOM 776 OH TYR A 84 41.688 79.637 -72.325 1.00 12.60 O ATOM 777 HH TYR A 84 40.698 79.663 -72.329 1.00 0.00 H ATOM 778 H TYR A 84 44.654 73.214 -68.137 1.00 0.00 H ATOM 779 N VAL A 85 42.450 73.639 -71.677 1.00 10.30 N ATOM 780 CA VAL A 85 42.629 73.277 -73.064 1.00 11.62 C ATOM 781 C VAL A 85 42.077 74.372 -73.937 1.00 11.41 C ATOM 782 O VAL A 85 40.819 74.436 -74.163 1.00 12.15 O ATOM 783 CB VAL A 85 41.926 71.952 -73.395 1.00 12.26 C ATOM 784 CG1 VAL A 85 42.326 71.505 -74.793 1.00 12.78 C ATOM 785 CG2 VAL A 85 42.291 70.859 -72.399 1.00 14.35 C ATOM 786 H VAL A 85 41.488 73.840 -71.337 1.00 0.00 H ATOM 787 N PRO A 86 42.948 75.271 -74.384 1.00 10.89 N ATOM 788 CA PRO A 86 42.479 76.394 -75.151 1.00 10.36 C ATOM 789 C PRO A 86 42.197 75.997 -76.578 1.00 11.62 C ATOM 790 O PRO A 86 42.526 74.854 -76.975 1.00 12.55 O ATOM 791 CB PRO A 86 43.661 77.362 -75.107 1.00 13.05 C ATOM 792 CG PRO A 86 44.840 76.508 -74.904 1.00 13.84 C ATOM 793 CD PRO A 86 44.383 75.405 -74.046 1.00 13.76 C ATOM 794 N TYR A 87 41.695 76.945 -77.357 1.00 11.91 N ATOM 795 CA TYR A 87 41.506 76.708 -78.806 1.00 11.49 C ATOM 796 C TYR A 87 42.833 76.191 -79.355 1.00 12.13 C ATOM 797 O TYR A 87 43.894 76.750 -79.107 1.00 11.99 O ATOM 798 CB TYR A 87 41.147 77.989 -79.541 1.00 12.57 C ATOM 799 CG TYR A 87 39.868 78.664 -79.090 1.00 12.26 C ATOM 800 CD1 TYR A 87 38.645 78.041 -79.201 1.00 13.26 C ATOM 801 CD2 TYR A 87 39.908 79.952 -78.547 1.00 14.02 C ATOM 802 CE1 TYR A 87 37.486 78.663 -78.817 1.00 11.75 C ATOM 803 CE2 TYR A 87 38.747 80.592 -78.150 1.00 14.09 C ATOM 804 CZ TYR A 87 37.541 79.955 -78.270 1.00 13.86 C ATOM 805 OH TYR A 87 36.347 80.569 -77.878 1.00 15.78 O ATOM 806 HH TYR A 87 35.590 79.952 -78.043 1.00 0.00 H ATOM 807 H TYR A 87 41.432 77.864 -76.946 1.00 0.00 H ATOM 808 N PRO A 88 42.765 75.150 -80.183 1.00 12.17 N ATOM 809 CA PRO A 88 44.020 74.687 -80.817 1.00 13.87 C ATOM 810 C PRO A 88 44.581 75.751 -81.781 1.00 13.33 C ATOM 811 O PRO A 88 43.823 76.404 -82.501 1.00 15.53 O ATOM 812 CB PRO A 88 43.596 73.416 -81.578 1.00 18.03 C ATOM 813 CG PRO A 88 42.097 73.436 -81.632 1.00 18.32 C ATOM 814 CD PRO A 88 41.576 74.356 -80.548 1.00 15.40 C ATOM 815 N ILE A 89 45.898 75.869 -81.817 1.00 15.70 N ATOM 816 CA ILE A 89 46.588 76.714 -82.784 1.00 15.87 C ATOM 817 C ILE A 89 47.279 75.793 -83.790 1.00 14.08 C ATOM 818 O ILE A 89 48.108 74.998 -83.402 1.00 16.83 O ATOM 819 CB ILE A 89 47.590 77.624 -82.075 1.00 19.83 C ATOM 820 CG1 ILE A 89 46.826 78.541 -81.099 1.00 20.74 C ATOM 821 CG2 ILE A 89 48.367 78.471 -83.080 1.00 21.00 C ATOM 822 CD1 ILE A 89 47.752 79.344 -80.202 1.00 23.76 C ATOM 823 H ILE A 89 46.465 75.337 -81.127 1.00 0.00 H ATOM 824 N GLU A 90 46.772 75.766 -85.007 1.00 12.67 N ATOM 825 CA GLU A 90 47.228 74.829 -86.016 1.00 14.55 C ATOM 826 C GLU A 90 48.228 75.572 -86.907 1.00 12.92 C ATOM 827 O GLU A 90 47.959 76.680 -87.336 1.00 14.86 O ATOM 828 CB GLU A 90 46.040 74.454 -86.899 1.00 15.84 C ATOM 829 CG GLU A 90 44.932 73.718 -86.170 1.00 21.28 C ATOM 830 CD GLU A 90 45.393 72.495 -85.448 1.00 23.97 C ATOM 831 OE1 GLU A 90 44.575 71.949 -84.683 1.00 28.62 O ATOM 832 OE2 GLU A 90 46.477 71.957 -85.785 1.00 22.48 O ATOM 833 H GLU A 90 46.019 76.440 -85.252 1.00 0.00 H ATOM 834 N VAL A 91 49.355 74.923 -87.202 1.00 11.22 N ATOM 835 CA VAL A 91 50.413 75.525 -88.003 1.00 10.41 C ATOM 836 C VAL A 91 50.681 74.653 -89.232 1.00 9.21 C ATOM 837 O VAL A 91 50.826 73.428 -89.111 1.00 11.57 O ATOM 838 CB VAL A 91 51.696 75.582 -87.163 1.00 10.61 C ATOM 839 CG1 VAL A 91 52.823 76.151 -87.978 1.00 11.69 C ATOM 840 CG2 VAL A 91 51.473 76.441 -85.907 1.00 12.70 C ATOM 841 H VAL A 91 49.483 73.954 -86.848 1.00 0.00 H ATOM 842 N GLN A 92 50.764 75.277 -90.396 1.00 9.51 N ATOM 843 CA GLN A 92 51.072 74.551 -91.611 1.00 8.25 C ATOM 844 C GLN A 92 52.511 74.059 -91.565 1.00 9.85 C ATOM 845 O GLN A 92 53.423 74.835 -91.342 1.00 10.14 O ATOM 846 CB GLN A 92 50.845 75.394 -92.805 1.00 10.16 C ATOM 847 CG GLN A 92 49.376 75.716 -93.083 1.00 12.25 C ATOM 848 CD GLN A 92 49.172 76.359 -94.417 1.00 13.99 C ATOM 849 OE1 GLN A 92 49.715 77.431 -94.735 1.00 13.18 O ATOM 850 NE2 GLN A 92 48.322 75.756 -95.201 1.00 17.32 N ATOM 851 HE22 GLN A 92 47.886 74.860 -94.904 1.00 0.00 H ATOM 852 HE21 GLN A 92 48.080 76.171 -96.123 1.00 0.00 H ATOM 853 H GLN A 92 50.606 76.304 -90.439 1.00 0.00 H ATOM 854 N VAL A 93 52.665 72.772 -91.837 1.00 9.44 N ATOM 855 CA VAL A 93 53.983 72.145 -91.994 1.00 9.81 C ATOM 856 C VAL A 93 54.008 71.491 -93.368 1.00 11.01 C ATOM 857 O VAL A 93 53.144 70.703 -93.714 1.00 10.36 O ATOM 858 CB VAL A 93 54.248 71.094 -90.909 1.00 9.34 C ATOM 859 CG1 VAL A 93 55.615 70.461 -91.061 1.00 10.84 C ATOM 860 CG2 VAL A 93 54.137 71.668 -89.511 1.00 9.61 C ATOM 861 H VAL A 93 51.816 72.181 -91.944 1.00 0.00 H ATOM 862 N GLY A 94 55.033 71.787 -94.159 1.00 8.21 N ATOM 863 CA GLY A 94 55.156 71.229 -95.516 1.00 9.30 C ATOM 864 C GLY A 94 55.517 69.739 -95.472 1.00 9.86 C ATOM 865 O GLY A 94 55.956 69.201 -94.468 1.00 11.28 O ATOM 866 H GLY A 94 55.770 72.432 -93.810 1.00 0.00 H ATOM 867 N GLY A 95 55.390 69.078 -96.609 1.00 11.09 N ATOM 868 CA GLY A 95 55.829 67.714 -96.709 1.00 11.68 C ATOM 869 C GLY A 95 57.322 67.546 -96.528 1.00 10.36 C ATOM 870 O GLY A 95 57.783 66.662 -95.828 1.00 12.07 O ATOM 871 H GLY A 95 54.970 69.548 -97.436 1.00 0.00 H ATOM 872 N ALA A 96 58.064 68.359 -97.241 1.00 9.04 N ATOM 873 CA ALA A 96 59.506 68.306 -97.135 1.00 7.87 C ATOM 874 C ALA A 96 60.113 69.646 -97.500 1.00 7.91 C ATOM 875 O ALA A 96 59.708 70.285 -98.464 1.00 9.62 O ATOM 876 CB ALA A 96 60.065 67.248 -98.066 1.00 8.94 C ATOM 877 H ALA A 96 57.615 69.043 -97.883 1.00 0.00 H ATOM 878 N THR A 97 61.188 69.983 -96.812 1.00 7.48 N ATOM 879 CA THR A 97 62.040 71.111 -97.148 1.00 7.72 C ATOM 880 C THR A 97 63.353 70.526 -97.607 1.00 7.29 C ATOM 881 O THR A 97 63.981 69.780 -96.848 1.00 7.38 O ATOM 882 CB THR A 97 62.229 71.996 -95.925 1.00 8.27 C ATOM 883 OG1 THR A 97 60.953 72.569 -95.574 1.00 9.52 O ATOM 884 CG2 THR A 97 63.228 73.097 -96.113 1.00 8.83 C ATOM 885 HG1 THR A 97 60.311 71.843 -95.371 1.00 0.00 H ATOM 886 H THR A 97 61.439 69.408 -95.982 1.00 0.00 H ATOM 887 N VAL A 98 63.765 70.860 -98.824 1.00 7.59 N ATOM 888 CA VAL A 98 64.798 70.056 -99.501 1.00 7.92 C ATOM 889 C VAL A 98 65.839 71.004-100.072 1.00 7.83 C ATOM 890 O VAL A 98 65.524 71.916-100.847 1.00 8.91 O ATOM 891 CB VAL A 98 64.207 69.221-100.640 1.00 8.16 C ATOM 892 CG1 VAL A 98 65.270 68.330-101.267 1.00 8.57 C ATOM 893 CG2 VAL A 98 63.036 68.364-100.181 1.00 7.96 C ATOM 894 H VAL A 98 63.358 71.690 -99.300 1.00 0.00 H ATOM 895 N PHE A 99 67.095 70.727 -99.749 1.00 6.89 N ATOM 896 CA PHE A 99 68.255 71.435-100.254 1.00 7.80 C ATOM 897 C PHE A 99 69.094 70.426-101.073 1.00 8.23 C ATOM 898 O PHE A 99 69.579 69.404-100.530 1.00 9.40 O ATOM 899 CB PHE A 99 69.109 71.979 -99.131 1.00 7.58 C ATOM 900 CG PHE A 99 68.364 72.924 -98.227 1.00 7.28 C ATOM 901 CD1 PHE A 99 68.249 74.260 -98.557 1.00 7.69 C ATOM 902 CD2 PHE A 99 67.812 72.481 -97.050 1.00 6.80 C ATOM 903 CE1 PHE A 99 67.479 75.114 -97.765 1.00 8.31 C ATOM 904 CE2 PHE A 99 67.057 73.337 -96.227 1.00 8.80 C ATOM 905 CZ PHE A 99 66.912 74.648 -96.598 1.00 8.70 C ATOM 906 H PHE A 99 67.260 69.944 -99.084 1.00 0.00 H ATOM 907 N VAL A 100 69.327 70.754-102.342 1.00 8.81 N ATOM 908 CA VAL A 100 70.166 69.919-103.190 1.00 8.42 C ATOM 909 C VAL A 100 71.515 70.593-103.337 1.00 8.83 C ATOM 910 O VAL A 100 71.623 71.739-103.753 1.00 9.54 O ATOM 911 CB VAL A 100 69.550 69.719-104.575 1.00 9.28 C ATOM 912 CG1 VAL A 100 70.492 68.884-105.464 1.00 9.67 C ATOM 913 CG2 VAL A 100 68.186 69.114-104.461 1.00 10.17 C ATOM 914 H VAL A 100 68.904 71.619-102.733 1.00 0.00 H ATOM 915 N MET A 101 72.551 69.887-102.893 1.00 10.50 N ATOM 916 CA MET A 101 73.899 70.476-102.779 1.00 9.71 C ATOM 917 C MET A 101 74.868 69.815-103.726 1.00 10.02 C ATOM 918 O MET A 101 74.828 68.595-103.914 1.00 9.88 O ATOM 919 CB MET A 101 74.442 70.269-101.351 1.00 11.85 C ATOM 920 CG MET A 101 73.450 70.579-100.246 1.00 13.56 C ATOM 921 SD MET A 101 72.949 72.287-100.172 1.00 15.22 S ATOM 922 CE MET A 101 74.420 73.054 -99.492 1.00 15.51 C ATOM 923 H MET A 101 72.407 68.894-102.619 1.00 0.00 H ATOM 924 N PRO A 102 75.774 70.592-104.293 1.00 11.01 N ATOM 925 CA PRO A 102 76.722 70.048-105.243 1.00 10.74 C ATOM 926 C PRO A 102 77.808 69.283-104.481 1.00 12.43 C ATOM 927 O PRO A 102 78.184 69.685-103.406 1.00 18.24 O ATOM 928 CB PRO A 102 77.300 71.302-105.918 1.00 13.91 C ATOM 929 CG PRO A 102 77.151 72.362-104.886 1.00 14.90 C ATOM 930 CD PRO A 102 75.856 72.059-104.194 1.00 12.97 C ATOM 931 N VAL A 103 78.228 68.137-104.980 1.00 11.58 N ATOM 932 CA VAL A 103 79.305 67.356-104.387 1.00 9.58 C ATOM 933 C VAL A 103 80.573 67.567-105.241 1.00 11.76 C ATOM 934 O VAL A 103 80.523 67.464-106.474 1.00 12.75 O ATOM 935 CB VAL A 103 78.922 65.857-104.356 1.00 10.37 C ATOM 936 CG1 VAL A 103 80.109 64.961-103.996 1.00 11.70 C ATOM 937 CG2 VAL A 103 77.736 65.614-103.447 1.00 12.35 C ATOM 938 H VAL A 103 77.768 67.773-105.839 1.00 0.00 H ATOM 939 N GLU A 104 81.684 67.898-104.607 1.00 12.22 N ATOM 940 CA GLU A 104 82.939 68.065-105.307 1.00 13.48 C ATOM 941 C GLU A 104 83.620 66.721-105.620 1.00 13.67 C ATOM 942 O GLU A 104 84.164 66.526-106.700 1.00 14.99 O ATOM 943 CB GLU A 104 83.847 68.956-104.474 1.00 15.45 C ATOM 944 CG GLU A 104 85.193 69.191-105.127 1.00 22.03 C ATOM 945 CD GLU A 104 85.902 70.345-104.502 1.00 25.94 C ATOM 946 OE1 GLU A 104 85.236 71.395-104.316 1.00 30.62 O ATOM 947 OE2 GLU A 104 87.086 70.173-104.134 1.00 33.64 O ATOM 948 H GLU A 104 81.656 68.042-103.577 1.00 0.00 H ATOM 949 N SER A 105 83.673 65.822-104.654 1.00 11.10 N ATOM 950 CA SER A 105 84.180 64.485-104.864 1.00 10.82 C ATOM 951 C SER A 105 83.527 63.488-103.962 1.00 11.55 C ATOM 952 O SER A 105 82.952 63.857-102.934 1.00 10.49 O ATOM 953 CB SER A 105 85.682 64.410-104.722 1.00 13.65 C ATOM 954 OG SER A 105 86.123 64.686-103.414 1.00 16.39 O ATOM 955 HG SER A 105 87.110 64.623-103.380 1.00 0.00 H ATOM 956 H SER A 105 83.337 66.086-103.706 1.00 0.00 H ATOM 957 N PHE A 106 83.632 62.231-104.356 1.00 10.73 N ATOM 958 CA PHE A 106 82.960 61.112-103.693 1.00 11.28 C ATOM 959 C PHE A 106 83.938 59.984-103.520 1.00 11.13 C ATOM 960 O PHE A 106 84.706 59.684-104.425 1.00 11.14 O ATOM 961 CB PHE A 106 81.753 60.607-104.492 1.00 12.35 C ATOM 962 CG PHE A 106 81.132 59.401-103.896 1.00 12.47 C ATOM 963 CD1 PHE A 106 80.409 59.510-102.710 1.00 10.40 C ATOM 964 CD2 PHE A 106 81.406 58.140-104.383 1.00 12.31 C ATOM 965 CE1 PHE A 106 79.905 58.404-102.087 1.00 12.66 C ATOM 966 CE2 PHE A 106 80.923 57.033-103.766 1.00 11.99 C ATOM 967 CZ PHE A 106 80.170 57.142-102.605 1.00 12.39 C ATOM 968 H PHE A 106 84.226 62.025-105.184 1.00 0.00 H ATOM 969 N HIS A 107 83.890 59.344-102.358 1.00 9.93 N ATOM 970 CA HIS A 107 84.734 58.183-102.063 1.00 11.35 C ATOM 971 C HIS A 107 83.961 57.131-101.289 1.00 10.59 C ATOM 972 O HIS A 107 83.090 57.411-100.460 1.00 11.07 O ATOM 973 CB HIS A 107 86.000 58.584-101.279 1.00 13.34 C ATOM 974 CG HIS A 107 86.687 59.790-101.839 1.00 15.56 C ATOM 975 ND1 HIS A 107 87.664 59.693-102.796 1.00 20.59 N ATOM 976 CD2 HIS A 107 86.364 61.103-101.769 1.00 17.50 C ATOM 977 CE1 HIS A 107 88.036 60.902-103.162 1.00 19.93 C ATOM 978 NE2 HIS A 107 87.209 61.772-102.622 1.00 22.01 N ATOM 979 H HIS A 107 83.228 59.679-101.629 1.00 0.00 H ATOM 980 N HIS A 108 84.221 55.871-101.637 1.00 10.11 N ATOM 981 CA HIS A 108 83.684 54.764-100.926 1.00 11.17 C ATOM 982 C HIS A 108 84.814 53.829-100.557 1.00 13.37 C ATOM 983 O HIS A 108 85.426 53.183-101.438 1.00 16.80 O ATOM 984 CB HIS A 108 82.613 54.020-101.765 1.00 12.41 C ATOM 985 CG HIS A 108 81.877 52.950-101.011 1.00 13.97 C ATOM 986 ND1 HIS A 108 81.335 51.841-101.634 1.00 16.96 N ATOM 987 CD2 HIS A 108 81.451 52.888 -99.723 1.00 15.72 C ATOM 988 CE1 HIS A 108 80.688 51.101-100.751 1.00 15.90 C ATOM 989 NE2 HIS A 108 80.732 51.724 -99.585 1.00 15.11 N ATOM 990 H HIS A 108 84.837 55.692-102.456 1.00 0.00 H ATOM 991 N PHE A 109 85.201 53.885 -99.299 1.00 13.51 N ATOM 992 CA PHE A 109 86.384 53.185 -98.805 1.00 15.66 C ATOM 993 C PHE A 109 86.013 51.813 -98.284 1.00 19.38 C ATOM 994 O PHE A 109 85.132 51.652 -97.423 1.00 19.16 O ATOM 995 CB PHE A 109 87.108 53.999 -97.691 1.00 16.67 C ATOM 996 CG PHE A 109 87.654 55.320 -98.152 1.00 15.96 C ATOM 997 CD1 PHE A 109 88.365 55.412 -99.326 1.00 17.15 C ATOM 998 CD2 PHE A 109 87.515 56.469 -97.380 1.00 17.71 C ATOM 999 CE1 PHE A 109 88.906 56.613 -99.732 1.00 17.02 C ATOM 1000 CE2 PHE A 109 87.936 57.692 -97.858 1.00 17.99 C ATOM 1001 CZ PHE A 109 88.727 57.748 -98.984 1.00 20.30 C ATOM 1002 H PHE A 109 84.641 54.451 -98.630 1.00 0.00 H ATOM 1003 N LEU A 110 86.748 50.824 -98.776 1.00 23.67 N ATOM 1004 CA LEU A 110 86.415 49.421 -98.554 1.00 28.07 C ATOM 1005 C LEU A 110 87.624 48.641 -98.059 1.00 28.70 C ATOM 1006 O LEU A 110 87.724 47.439 -98.315 1.00 34.08 O ATOM 1007 CB LEU A 110 85.929 48.774 -99.861 1.00 29.00 C ATOM 1008 CG LEU A 110 84.625 49.330-100.454 1.00 33.12 C ATOM 1009 CD1 LEU A 110 84.354 48.701-101.808 1.00 33.15 C ATOM 1010 CD2 LEU A 110 83.449 49.114 -99.506 1.00 33.62 C ATOM 1011 H LEU A 110 87.591 51.057 -99.339 1.00 0.00 H ATOM 1012 N GLU A 111 88.514 49.305 -97.338 1.00 30.16 N ATOM 1013 CA GLU A 111 89.728 48.637 -96.833 1.00 36.77 C ATOM 1014 C GLU A 111 89.360 47.604 -95.790 1.00 32.90 C ATOM 1015 O GLU A 111 88.525 47.858 -94.949 1.00 27.58 O ATOM 1016 CB GLU A 111 90.697 49.653 -96.214 1.00 40.23 C ATOM 1017 CG GLU A 111 91.190 50.699 -97.190 1.00 45.54 C ATOM 1018 CD GLU A 111 92.098 50.120 -98.256 1.00 55.04 C ATOM 1019 OE1 GLU A 111 93.229 49.716 -97.906 1.00 64.27 O ATOM 1020 OE2 GLU A 111 91.694 50.102 -99.444 1.00 60.74 O ATOM 1021 H GLU A 111 88.355 50.310 -97.125 1.00 0.00 H ATOM 1022 N HIS A 112 90.051 46.465 -95.805 1.00 34.13 N ATOM 1023 CA HIS A 112 89.951 45.488 -94.713 1.00 36.25 C ATOM 1024 C HIS A 112 91.208 45.609 -93.850 1.00 40.84 C ATOM 1025 O HIS A 112 92.051 46.486 -94.083 1.00 43.66 O ATOM 1026 CB HIS A 112 89.813 44.067 -95.285 1.00 39.32 C ATOM 1027 CG HIS A 112 88.600 43.875 -96.151 1.00 34.88 C ATOM 1028 ND1 HIS A 112 87.437 43.290 -95.691 1.00 36.72 N ATOM 1029 CD2 HIS A 112 88.370 44.200 -97.446 1.00 40.03 C ATOM 1030 CE1 HIS A 112 86.540 43.270 -96.661 1.00 39.20 C ATOM 1031 NE2 HIS A 112 87.087 43.802 -97.741 1.00 39.59 N ATOM 1032 H HIS A 112 90.677 46.263 -96.610 1.00 0.00 H ATOM 1033 N HIS A 113 91.373 44.717 -92.880 1.00 37.61 N ATOM 1034 CA HIS A 113 92.717 44.380 -92.438 1.00 40.18 C ATOM 1035 C HIS A 113 93.501 43.897 -93.658 1.00 34.94 C ATOM 1036 O HIS A 113 94.710 44.053 -93.715 1.00 44.44 O ATOM 1037 CB HIS A 113 92.680 43.295 -91.361 1.00 40.45 C ATOM 1038 CG HIS A 113 91.955 43.705 -90.121 1.00 41.57 C ATOM 1039 ND1 HIS A 113 90.609 43.460 -89.931 1.00 42.59 N ATOM 1040 CD2 HIS A 113 92.381 44.356 -89.012 1.00 42.53 C ATOM 1041 CE1 HIS A 113 90.244 43.923 -88.747 1.00 45.08 C ATOM 1042 NE2 HIS A 113 91.301 44.473 -88.171 1.00 41.93 N ATOM 1043 H HIS A 113 90.547 44.263 -92.440 1.00 0.00 H TER 1044 HIS A 113 ATOM 1045 N MET B 1 71.427 80.762-103.179 1.00 13.70 N ATOM 1046 CA MET B 1 71.001 80.303-101.828 1.00 12.82 C ATOM 1047 C MET B 1 72.157 79.578-101.174 1.00 10.47 C ATOM 1048 O MET B 1 73.077 79.143-101.860 1.00 11.23 O ATOM 1049 CB MET B 1 69.759 79.412-101.872 1.00 14.79 C ATOM 1050 CG MET B 1 68.536 80.078-102.466 1.00 19.38 C ATOM 1051 SD MET B 1 67.238 78.863-102.798 1.00 24.66 S ATOM 1052 CE MET B 1 67.846 78.119-104.302 1.00 24.65 C ATOM 1053 HN3 MET B 1 71.699 79.939-103.754 1.00 0.00 H ATOM 1054 HN2 MET B 1 72.240 81.404-103.085 1.00 0.00 H ATOM 1055 HN1 MET B 1 70.639 81.262-103.638 1.00 0.00 H ATOM 1056 N LYS B 2 72.167 79.602 -99.848 1.00 9.19 N ATOM 1057 CA LYS B 2 73.209 78.986 -99.042 1.00 9.76 C ATOM 1058 C LYS B 2 72.602 78.148 -97.917 1.00 9.64 C ATOM 1059 O LYS B 2 71.496 78.405 -97.448 1.00 8.00 O ATOM 1060 CB LYS B 2 74.151 80.032 -98.445 1.00 11.04 C ATOM 1061 CG LYS B 2 74.875 80.884 -99.482 1.00 12.44 C ATOM 1062 CD LYS B 2 75.859 80.090-100.291 1.00 13.10 C ATOM 1063 CE LYS B 2 76.600 80.993-101.289 1.00 15.89 C ATOM 1064 NZ LYS B 2 75.771 81.131-102.509 1.00 18.43 N ATOM 1065 HZ1 LYS B 2 75.615 80.192-102.929 1.00 0.00 H ATOM 1066 HZ2 LYS B 2 74.856 81.556-102.258 1.00 0.00 H ATOM 1067 HZ3 LYS B 2 76.262 81.741-103.193 1.00 0.00 H ATOM 1068 H LYS B 2 71.388 80.087 -99.359 1.00 0.00 H ATOM 1069 N LEU B 3 73.361 77.154 -97.485 1.00 8.56 N ATOM 1070 CA LEU B 3 73.005 76.297 -96.360 1.00 8.46 C ATOM 1071 C LEU B 3 74.096 76.435 -95.307 1.00 7.58 C ATOM 1072 O LEU B 3 75.262 76.090 -95.560 1.00 9.59 O ATOM 1073 CB LEU B 3 72.843 74.856 -96.812 1.00 7.84 C ATOM 1074 CG LEU B 3 72.178 73.916 -95.807 1.00 8.09 C ATOM 1075 CD1 LEU B 3 70.768 74.362 -95.439 1.00 9.98 C ATOM 1076 CD2 LEU B 3 72.119 72.463 -96.335 1.00 8.67 C ATOM 1077 H LEU B 3 74.261 76.974 -97.975 1.00 0.00 H ATOM 1078 N ILE B 4 73.719 77.001 -94.186 1.00 8.15 N ATOM 1079 CA ILE B 4 74.645 77.281 -93.105 1.00 7.07 C ATOM 1080 C ILE B 4 74.590 76.146 -92.064 1.00 8.52 C ATOM 1081 O ILE B 4 73.504 75.760 -91.577 1.00 8.76 O ATOM 1082 CB ILE B 4 74.302 78.601 -92.408 1.00 8.34 C ATOM 1083 CG1 ILE B 4 74.210 79.750 -93.407 1.00 9.04 C ATOM 1084 CG2 ILE B 4 75.293 78.890 -91.268 1.00 9.12 C ATOM 1085 CD1 ILE B 4 73.567 81.004 -92.834 1.00 11.56 C ATOM 1086 H ILE B 4 72.718 77.259 -94.067 1.00 0.00 H ATOM 1087 N PHE B 5 75.746 75.586 -91.775 1.00 7.92 N ATOM 1088 CA PHE B 5 75.884 74.644 -90.640 1.00 7.85 C ATOM 1089 C PHE B 5 76.635 75.349 -89.496 1.00 8.92 C ATOM 1090 O PHE B 5 77.769 75.790 -89.676 1.00 8.56 O ATOM 1091 CB PHE B 5 76.696 73.404 -91.022 1.00 9.34 C ATOM 1092 CG PHE B 5 75.990 72.485 -91.951 1.00 12.48 C ATOM 1093 CD1 PHE B 5 75.587 71.250 -91.504 1.00 15.56 C ATOM 1094 CD2 PHE B 5 75.749 72.843 -93.252 1.00 16.51 C ATOM 1095 CE1 PHE B 5 74.869 70.407 -92.339 1.00 19.40 C ATOM 1096 CE2 PHE B 5 75.077 71.967 -94.113 1.00 21.19 C ATOM 1097 CZ PHE B 5 74.637 70.772 -93.629 1.00 19.10 C ATOM 1098 H PHE B 5 76.579 75.810 -92.355 1.00 0.00 H ATOM 1099 N ALA B 6 75.994 75.505 -88.337 1.00 7.72 N ATOM 1100 CA ALA B 6 76.586 76.271 -87.251 1.00 7.81 C ATOM 1101 C ALA B 6 76.636 75.323 -86.031 1.00 8.25 C ATOM 1102 O ALA B 6 75.562 74.892 -85.554 1.00 9.92 O ATOM 1103 CB ALA B 6 75.729 77.486 -86.934 1.00 9.59 C ATOM 1104 H ALA B 6 75.057 75.073 -88.208 1.00 0.00 H ATOM 1105 N ILE B 7 77.845 75.015 -85.558 1.00 8.36 N ATOM 1106 CA ILE B 7 78.052 74.129 -84.419 1.00 7.32 C ATOM 1107 C ILE B 7 78.280 75.015 -83.178 1.00 8.95 C ATOM 1108 O ILE B 7 79.236 75.809 -83.156 1.00 7.81 O ATOM 1109 CB ILE B 7 79.276 73.190 -84.607 1.00 8.59 C ATOM 1110 CG1 ILE B 7 79.105 72.335 -85.858 1.00 12.15 C ATOM 1111 CG2 ILE B 7 79.422 72.306 -83.401 1.00 9.93 C ATOM 1112 CD1 ILE B 7 80.071 72.551 -86.951 1.00 12.40 C ATOM 1113 H ILE B 7 78.679 75.426 -86.024 1.00 0.00 H ATOM 1114 N VAL B 8 77.358 74.953 -82.242 1.00 7.52 N ATOM 1115 CA VAL B 8 77.326 75.823 -81.074 1.00 7.87 C ATOM 1116 C VAL B 8 77.232 74.976 -79.812 1.00 9.68 C ATOM 1117 O VAL B 8 77.015 73.787 -79.829 1.00 9.88 O ATOM 1118 CB VAL B 8 76.130 76.817 -81.163 1.00 8.62 C ATOM 1119 CG1 VAL B 8 76.151 77.509 -82.537 1.00 9.86 C ATOM 1120 CG2 VAL B 8 74.809 76.082 -80.950 1.00 9.20 C ATOM 1121 H VAL B 8 76.607 74.240 -82.342 1.00 0.00 H ATOM 1122 N GLN B 9 77.435 75.643 -78.687 1.00 9.46 N ATOM 1123 CA GLN B 9 77.347 75.009 -77.403 1.00 9.13 C ATOM 1124 C GLN B 9 75.864 74.877 -76.962 1.00 9.21 C ATOM 1125 O GLN B 9 75.023 75.761 -77.233 1.00 12.46 O ATOM 1126 CB GLN B 9 78.095 75.906 -76.383 1.00 10.47 C ATOM 1127 CG GLN B 9 79.596 75.931 -76.564 1.00 11.15 C ATOM 1128 CD GLN B 9 80.217 77.016 -75.747 1.00 11.62 C ATOM 1129 OE1 GLN B 9 80.045 77.035 -74.536 1.00 14.73 O ATOM 1130 NE2 GLN B 9 80.810 77.980 -76.392 1.00 11.58 N ATOM 1131 HE22 GLN B 9 80.933 77.918 -77.423 1.00 0.00 H ATOM 1132 HE21 GLN B 9 81.161 78.812 -75.876 1.00 0.00 H ATOM 1133 H GLN B 9 77.665 76.656 -78.735 1.00 0.00 H ATOM 1134 N ASP B 10 75.554 73.784 -76.299 1.00 10.57 N ATOM 1135 CA ASP B 10 74.189 73.518 -75.814 1.00 12.78 C ATOM 1136 C ASP B 10 73.616 74.720 -75.004 1.00 13.66 C ATOM 1137 O ASP B 10 72.430 75.049 -75.141 1.00 13.68 O ATOM 1138 CB ASP B 10 74.171 72.260 -74.973 1.00 14.98 C ATOM 1139 CG ASP B 10 74.210 70.997 -75.797 1.00 17.64 C ATOM 1140 OD1 ASP B 10 74.218 71.083 -77.035 1.00 15.81 O ATOM 1141 OD2 ASP B 10 74.265 69.893 -75.206 1.00 20.85 O ATOM 1142 H ASP B 10 76.299 73.083 -76.111 1.00 0.00 H ATOM 1143 N GLN B 11 74.450 75.378 -74.198 1.00 15.31 N ATOM 1144 CA GLN B 11 73.975 76.536 -73.379 1.00 16.68 C ATOM 1145 C GLN B 11 73.390 77.680 -74.213 1.00 13.40 C ATOM 1146 O GLN B 11 72.590 78.463 -73.704 1.00 15.65 O ATOM 1147 CB GLN B 11 75.101 77.140 -72.497 1.00 20.66 C ATOM 1148 CG GLN B 11 75.662 76.162 -71.517 1.00 26.59 C ATOM 1149 CD GLN B 11 76.905 75.511 -72.053 1.00 30.50 C ATOM 1150 OE1 GLN B 11 76.884 74.786 -73.099 1.00 24.01 O ATOM 1151 NE2 GLN B 11 78.008 75.724 -71.334 1.00 26.92 N ATOM 1152 HE22 GLN B 11 77.968 76.326 -70.487 1.00 0.00 H ATOM 1153 HE21 GLN B 11 78.908 75.288 -71.620 1.00 0.00 H ATOM 1154 H GLN B 11 75.445 75.082 -74.138 1.00 0.00 H ATOM 1155 N ASP B 12 73.817 77.815 -75.473 1.00 12.98 N ATOM 1156 CA ASP B 12 73.376 78.916 -76.328 1.00 11.69 C ATOM 1157 C ASP B 12 72.261 78.512 -77.298 1.00 10.56 C ATOM 1158 O ASP B 12 71.768 79.343 -78.062 1.00 11.96 O ATOM 1159 CB ASP B 12 74.551 79.483 -77.108 1.00 12.05 C ATOM 1160 CG ASP B 12 75.570 80.139 -76.214 1.00 14.94 C ATOM 1161 OD1 ASP B 12 75.109 80.752 -75.194 1.00 16.81 O ATOM 1162 OD2 ASP B 12 76.796 80.047 -76.523 1.00 13.52 O ATOM 1163 H ASP B 12 74.484 77.115 -75.857 1.00 0.00 H ATOM 1164 N SER B 13 71.916 77.230 -77.283 1.00 10.54 N ATOM 1165 CA SER B 13 71.057 76.652 -78.324 1.00 10.29 C ATOM 1166 C SER B 13 69.700 77.335 -78.347 1.00 11.82 C ATOM 1167 O SER B 13 69.243 77.793 -79.390 1.00 11.10 O ATOM 1168 CB SER B 13 70.883 75.146 -78.124 1.00 9.80 C ATOM 1169 OG SER B 13 69.990 74.586 -79.082 1.00 9.67 O ATOM 1170 HG SER B 13 69.103 75.017 -78.996 1.00 0.00 H ATOM 1171 H SER B 13 72.263 76.620 -76.515 1.00 0.00 H ATOM 1172 N ASN B 14 69.070 77.434 -77.193 1.00 13.06 N ATOM 1173 CA ASN B 14 67.719 77.966 -77.184 1.00 14.51 C ATOM 1174 C ASN B 14 67.671 79.454 -77.509 1.00 14.38 C ATOM 1175 O ASN B 14 66.791 79.889 -78.269 1.00 15.17 O ATOM 1176 CB ASN B 14 66.978 77.674 -75.894 1.00 15.93 C ATOM 1177 CG ASN B 14 65.502 77.962 -76.017 1.00 15.72 C ATOM 1178 OD1 ASN B 14 64.833 77.437 -76.906 1.00 17.89 O ATOM 1179 ND2 ASN B 14 65.002 78.865 -75.180 1.00 16.65 N ATOM 1180 HD22 ASN B 14 65.606 79.282 -74.443 1.00 0.00 H ATOM 1181 HD21 ASN B 14 64.007 79.155 -75.262 1.00 0.00 H ATOM 1182 H ASN B 14 69.530 77.138 -76.309 1.00 0.00 H ATOM 1183 N ARG B 15 68.623 80.230 -76.996 1.00 13.11 N ATOM 1184 CA ARG B 15 68.710 81.619 -77.298 1.00 15.67 C ATOM 1185 C ARG B 15 68.935 81.891 -78.790 1.00 15.11 C ATOM 1186 O ARG B 15 68.306 82.749 -79.375 1.00 14.81 O ATOM 1187 CB ARG B 15 69.816 82.217 -76.407 1.00 19.50 C ATOM 1188 CG ARG B 15 70.262 83.607 -76.689 1.00 28.58 C ATOM 1189 CD ARG B 15 71.421 83.921 -75.731 1.00 34.32 C ATOM 1190 NE ARG B 15 72.166 85.112 -76.119 1.00 51.11 N ATOM 1191 CZ ARG B 15 71.779 86.359 -75.865 1.00 52.29 C ATOM 1192 NH1 ARG B 15 70.638 86.592 -75.227 1.00 66.43 N ATOM 1193 NH2 ARG B 15 72.529 87.377 -76.267 1.00 57.35 N ATOM 1194 HE ARG B 15 73.062 84.978 -76.630 1.00 0.00 H ATOM 1195 HH12 ARG B 15 70.342 87.570 -75.032 1.00 0.00 H ATOM 1196 HH11 ARG B 15 70.041 85.797 -74.923 1.00 0.00 H ATOM 1197 HH22 ARG B 15 72.229 88.353 -76.070 1.00 0.00 H ATOM 1198 HH21 ARG B 15 73.416 87.199 -76.779 1.00 0.00 H ATOM 1199 H ARG B 15 69.325 79.809 -76.355 1.00 0.00 H ATOM 1200 N LEU B 16 69.831 81.133 -79.412 1.00 12.91 N ATOM 1201 CA LEU B 16 70.070 81.225 -80.848 1.00 11.65 C ATOM 1202 C LEU B 16 68.799 80.886 -81.645 1.00 10.77 C ATOM 1203 O LEU B 16 68.431 81.608 -82.562 1.00 12.40 O ATOM 1204 CB LEU B 16 71.205 80.288 -81.249 1.00 11.25 C ATOM 1205 CG LEU B 16 71.565 80.321 -82.748 1.00 10.64 C ATOM 1206 CD1 LEU B 16 71.751 81.728 -83.265 1.00 12.55 C ATOM 1207 CD2 LEU B 16 72.784 79.424 -83.048 1.00 11.95 C ATOM 1208 H LEU B 16 70.382 80.449 -78.855 1.00 0.00 H ATOM 1209 N SER B 17 68.193 79.764 -81.297 1.00 11.17 N ATOM 1210 CA SER B 17 66.994 79.322 -81.993 1.00 12.79 C ATOM 1211 C SER B 17 65.924 80.422 -81.950 1.00 12.43 C ATOM 1212 O SER B 17 65.301 80.761 -82.962 1.00 12.35 O ATOM 1213 CB SER B 17 66.489 78.027 -81.404 1.00 13.85 C ATOM 1214 OG SER B 17 65.305 77.610 -82.098 1.00 15.08 O ATOM 1215 HG SER B 17 64.977 76.761 -81.709 1.00 0.00 H ATOM 1216 H SER B 17 68.577 79.192 -80.518 1.00 0.00 H ATOM 1217 N ASP B 18 65.685 80.958 -80.767 1.00 12.49 N ATOM 1218 CA ASP B 18 64.707 82.054 -80.642 1.00 12.86 C ATOM 1219 C ASP B 18 65.100 83.292 -81.439 1.00 13.24 C ATOM 1220 O ASP B 18 64.262 83.918 -82.087 1.00 12.67 O ATOM 1221 CB ASP B 18 64.538 82.439 -79.145 1.00 17.77 C ATOM 1222 CG ASP B 18 63.769 81.393 -78.346 1.00 23.86 C ATOM 1223 OD1 ASP B 18 63.187 80.427 -78.936 1.00 24.00 O ATOM 1224 OD2 ASP B 18 63.752 81.528 -77.089 1.00 26.67 O ATOM 1225 H ASP B 18 66.186 80.608 -79.925 1.00 0.00 H ATOM 1226 N ALA B 19 66.388 83.654 -81.444 1.00 12.21 N ATOM 1227 CA ALA B 19 66.825 84.778 -82.239 1.00 12.56 C ATOM 1228 C ALA B 19 66.698 84.568 -83.748 1.00 12.56 C ATOM 1229 O ALA B 19 66.369 85.482 -84.486 1.00 13.36 O ATOM 1230 CB ALA B 19 68.253 85.169 -81.885 1.00 15.00 C ATOM 1231 H ALA B 19 67.077 83.124 -80.873 1.00 0.00 H ATOM 1232 N LEU B 20 66.936 83.342 -84.224 1.00 11.69 N ATOM 1233 CA LEU B 20 66.782 83.041 -85.652 1.00 10.86 C ATOM 1234 C LEU B 20 65.308 83.176 -86.057 1.00 10.81 C ATOM 1235 O LEU B 20 64.994 83.784 -87.073 1.00 11.45 O ATOM 1236 CB LEU B 20 67.283 81.615 -85.949 1.00 9.75 C ATOM 1237 CG LEU B 20 68.814 81.465 -85.933 1.00 11.65 C ATOM 1238 CD1 LEU B 20 69.206 79.998 -85.911 1.00 11.79 C ATOM 1239 CD2 LEU B 20 69.437 82.202 -87.079 1.00 11.52 C ATOM 1240 H LEU B 20 67.235 82.589 -83.572 1.00 0.00 H ATOM 1241 N THR B 21 64.435 82.688 -85.195 1.00 11.19 N ATOM 1242 CA THR B 21 62.988 82.774 -85.415 1.00 13.54 C ATOM 1243 C THR B 21 62.504 84.224 -85.408 1.00 14.58 C ATOM 1244 O THR B 21 61.767 84.646 -86.315 1.00 13.61 O ATOM 1245 CB THR B 21 62.211 81.929 -84.376 1.00 15.38 C ATOM 1246 OG1 THR B 21 62.537 80.562 -84.592 1.00 16.82 O ATOM 1247 CG2 THR B 21 60.691 82.105 -84.591 1.00 18.23 C ATOM 1248 HG1 THR B 21 63.512 80.434 -84.478 1.00 0.00 H ATOM 1249 H THR B 21 64.786 82.227 -84.331 1.00 0.00 H ATOM 1250 N LYS B 22 62.965 84.997 -84.425 1.00 16.04 N ATOM 1251 CA LYS B 22 62.711 86.431 -84.410 1.00 16.82 C ATOM 1252 C LYS B 22 63.179 87.149 -85.637 1.00 16.44 C ATOM 1253 O LYS B 22 62.527 88.104 -86.109 1.00 17.33 O ATOM 1254 CB LYS B 22 63.318 87.106 -83.148 1.00 19.16 C ATOM 1255 CG LYS B 22 62.875 88.558 -82.989 1.00 28.44 C ATOM 1256 CD LYS B 22 63.264 89.158 -81.646 1.00 35.21 C ATOM 1257 CE LYS B 22 63.149 90.681 -81.673 1.00 43.43 C ATOM 1258 NZ LYS B 22 63.911 91.303 -80.553 1.00 49.89 N ATOM 1259 HZ1 LYS B 22 63.535 90.959 -79.646 1.00 0.00 H ATOM 1260 HZ2 LYS B 22 64.915 91.045 -80.634 1.00 0.00 H ATOM 1261 HZ3 LYS B 22 63.812 92.337 -80.600 1.00 0.00 H ATOM 1262 H LYS B 22 63.516 84.568 -83.654 1.00 0.00 H ATOM 1263 N GLY B 23 64.323 86.722 -86.183 1.00 13.55 N ATOM 1264 CA GLY B 23 64.856 87.262 -87.426 1.00 12.11 C ATOM 1265 C GLY B 23 64.253 86.688 -88.705 1.00 10.88 C ATOM 1266 O GLY B 23 64.695 87.022 -89.800 1.00 12.97 O ATOM 1267 H GLY B 23 64.855 85.971 -85.698 1.00 0.00 H ATOM 1268 N ASN B 24 63.229 85.844 -88.563 1.00 11.25 N ATOM 1269 CA ASN B 24 62.563 85.226 -89.705 1.00 11.06 C ATOM 1270 C ASN B 24 63.464 84.365 -90.548 1.00 10.99 C ATOM 1271 O ASN B 24 63.361 84.355 -91.771 1.00 12.23 O ATOM 1272 CB ASN B 24 61.802 86.264 -90.552 1.00 11.33 C ATOM 1273 CG ASN B 24 60.676 86.926 -89.744 1.00 14.48 C ATOM 1274 OD1 ASN B 24 59.820 86.252 -89.177 1.00 18.58 O ATOM 1275 ND2 ASN B 24 60.771 88.212 -89.577 1.00 16.19 N ATOM 1276 HD22 ASN B 24 61.510 88.748 -90.075 1.00 0.00 H ATOM 1277 HD21 ASN B 24 60.108 88.705 -88.945 1.00 0.00 H ATOM 1278 H ASN B 24 62.894 85.619 -87.605 1.00 0.00 H ATOM 1279 N PHE B 25 64.288 83.576 -89.862 1.00 10.78 N ATOM 1280 CA PHE B 25 65.088 82.517 -90.474 1.00 10.42 C ATOM 1281 C PHE B 25 64.487 81.155 -90.126 1.00 11.39 C ATOM 1282 O PHE B 25 64.152 80.893 -88.991 1.00 16.66 O ATOM 1283 CB PHE B 25 66.547 82.577 -89.972 1.00 10.53 C ATOM 1284 CG PHE B 25 67.328 83.698 -90.575 1.00 9.85 C ATOM 1285 CD1 PHE B 25 67.842 83.579 -91.848 1.00 10.89 C ATOM 1286 CD2 PHE B 25 67.523 84.888 -89.870 1.00 11.73 C ATOM 1287 CE1 PHE B 25 68.524 84.606 -92.440 1.00 12.11 C ATOM 1288 CE2 PHE B 25 68.250 85.914 -90.451 1.00 12.48 C ATOM 1289 CZ PHE B 25 68.786 85.733 -91.713 1.00 12.77 C ATOM 1290 H PHE B 25 64.367 83.721 -88.835 1.00 0.00 H ATOM 1291 N GLY B 26 64.335 80.285 -91.106 1.00 9.91 N ATOM 1292 CA GLY B 26 64.028 78.901 -90.788 1.00 9.63 C ATOM 1293 C GLY B 26 65.300 78.156 -90.411 1.00 9.86 C ATOM 1294 O GLY B 26 66.401 78.617 -90.678 1.00 9.55 O ATOM 1295 H GLY B 26 64.434 80.587 -92.096 1.00 0.00 H ATOM 1296 N ALA B 27 65.129 77.112 -89.637 1.00 7.31 N ATOM 1297 CA ALA B 27 66.247 76.375 -89.057 1.00 8.13 C ATOM 1298 C ALA B 27 65.818 75.029 -88.602 1.00 9.14 C ATOM 1299 O ALA B 27 64.672 74.821 -88.185 1.00 9.50 O ATOM 1300 CB ALA B 27 66.866 77.143 -87.900 1.00 9.25 C ATOM 1301 H ALA B 27 64.160 76.797 -89.428 1.00 0.00 H ATOM 1302 N THR B 28 66.791 74.110 -88.619 1.00 7.20 N ATOM 1303 CA THR B 28 66.635 72.780 -88.072 1.00 7.89 C ATOM 1304 C THR B 28 67.781 72.525 -87.121 1.00 8.11 C ATOM 1305 O THR B 28 68.929 72.899 -87.394 1.00 8.81 O ATOM 1306 CB THR B 28 66.627 71.737 -89.224 1.00 7.60 C ATOM 1307 OG1 THR B 28 65.493 71.993 -90.033 1.00 7.14 O ATOM 1308 CG2 THR B 28 66.563 70.317 -88.702 1.00 8.58 C ATOM 1309 HG1 THR B 28 64.672 71.907 -89.486 1.00 0.00 H ATOM 1310 H THR B 28 67.704 74.365 -89.047 1.00 0.00 H ATOM 1311 N LYS B 29 67.464 71.940 -85.961 1.00 7.62 N ATOM 1312 CA LYS B 29 68.436 71.660 -84.920 1.00 9.44 C ATOM 1313 C LYS B 29 68.817 70.196 -84.848 1.00 9.35 C ATOM 1314 O LYS B 29 67.951 69.327 -84.809 1.00 9.41 O ATOM 1315 CB LYS B 29 67.811 72.055 -83.556 1.00 12.53 C ATOM 1316 CG LYS B 29 68.779 72.136 -82.408 1.00 17.30 C ATOM 1317 CD LYS B 29 68.115 72.616 -81.108 1.00 21.55 C ATOM 1318 CE LYS B 29 67.716 71.457 -80.234 1.00 27.59 C ATOM 1319 NZ LYS B 29 67.949 71.709 -78.777 1.00 32.10 N ATOM 1320 HZ1 LYS B 29 68.960 71.891 -78.615 1.00 0.00 H ATOM 1321 HZ2 LYS B 29 67.394 72.535 -78.476 1.00 0.00 H ATOM 1322 HZ3 LYS B 29 67.654 70.875 -78.231 1.00 0.00 H ATOM 1323 H LYS B 29 66.472 71.673 -85.797 1.00 0.00 H ATOM 1324 N LEU B 30 70.115 69.918 -84.735 1.00 9.22 N ATOM 1325 CA LEU B 30 70.633 68.547 -84.661 1.00 10.03 C ATOM 1326 C LEU B 30 71.433 68.416 -83.377 1.00 12.36 C ATOM 1327 O LEU B 30 72.199 69.310 -83.010 1.00 12.60 O ATOM 1328 CB LEU B 30 71.613 68.303 -85.794 1.00 10.69 C ATOM 1329 CG LEU B 30 71.170 68.073 -87.202 1.00 13.25 C ATOM 1330 CD1 LEU B 30 70.322 69.200 -87.755 1.00 13.51 C ATOM 1331 CD2 LEU B 30 72.414 67.855 -88.066 1.00 15.55 C ATOM 1332 H LEU B 30 70.791 70.707 -84.698 1.00 0.00 H ATOM 1333 N ALA B 31 71.210 67.343 -82.660 1.00 11.66 N ATOM 1334 CA ALA B 31 72.029 67.024 -81.542 1.00 11.36 C ATOM 1335 C ALA B 31 73.282 66.326 -82.025 1.00 11.63 C ATOM 1336 O ALA B 31 73.239 65.275 -82.677 1.00 15.39 O ATOM 1337 CB ALA B 31 71.262 66.125 -80.567 1.00 13.07 C ATOM 1338 H ALA B 31 70.421 66.714 -82.912 1.00 0.00 H ATOM 1339 N THR B 32 74.415 66.899 -81.688 1.00 9.41 N ATOM 1340 CA THR B 32 75.684 66.395 -82.171 1.00 9.38 C ATOM 1341 C THR B 32 76.669 66.226 -81.001 1.00 9.62 C ATOM 1342 O THR B 32 76.346 66.507 -79.859 1.00 10.36 O ATOM 1343 CB THR B 32 76.265 67.317 -83.238 1.00 10.58 C ATOM 1344 OG1 THR B 32 76.293 68.675 -82.780 1.00 10.15 O ATOM 1345 CG2 THR B 32 75.419 67.260 -84.489 1.00 12.38 C ATOM 1346 HG1 THR B 32 76.853 68.736 -81.966 1.00 0.00 H ATOM 1347 H THR B 32 74.401 67.730 -81.063 1.00 0.00 H ATOM 1348 N THR B 33 77.825 65.653 -81.306 1.00 9.06 N ATOM 1349 CA THR B 33 78.941 65.603 -80.378 1.00 10.03 C ATOM 1350 C THR B 33 80.230 66.008 -81.092 1.00 9.84 C ATOM 1351 O THR B 33 80.366 65.908 -82.317 1.00 11.47 O ATOM 1352 CB THR B 33 79.148 64.234 -79.736 1.00 12.22 C ATOM 1353 OG1 THR B 33 79.455 63.288 -80.738 1.00 15.37 O ATOM 1354 CG2 THR B 33 77.909 63.746 -79.023 1.00 14.44 C ATOM 1355 HG1 THR B 33 78.708 63.241 -81.386 1.00 0.00 H ATOM 1356 H THR B 33 77.937 65.223 -82.246 1.00 0.00 H ATOM 1357 N GLY B 34 81.124 66.628 -80.339 1.00 9.38 N ATOM 1358 CA GLY B 34 82.403 67.035 -80.860 1.00 8.92 C ATOM 1359 C GLY B 34 83.411 65.933 -80.903 1.00 10.41 C ATOM 1360 O GLY B 34 83.450 65.081 -80.010 1.00 11.66 O ATOM 1361 H GLY B 34 80.897 66.827 -79.344 1.00 0.00 H ATOM 1362 N GLY B 35 84.274 65.992 -81.890 1.00 9.67 N ATOM 1363 CA GLY B 35 85.364 65.028 -82.025 1.00 10.62 C ATOM 1364 C GLY B 35 86.350 65.031 -80.886 1.00 11.77 C ATOM 1365 O GLY B 35 86.890 63.956 -80.510 1.00 12.88 O ATOM 1366 H GLY B 35 84.179 66.748 -82.598 1.00 0.00 H ATOM 1367 N PHE B 36 86.587 66.209 -80.297 1.00 10.72 N ATOM 1368 CA PHE B 36 87.661 66.341 -79.293 1.00 12.21 C ATOM 1369 C PHE B 36 87.150 66.087 -77.898 1.00 11.52 C ATOM 1370 O PHE B 36 87.724 65.253 -77.181 1.00 14.14 O ATOM 1371 CB PHE B 36 88.300 67.723 -79.368 1.00 11.94 C ATOM 1372 CG PHE B 36 89.514 67.862 -78.493 1.00 11.54 C ATOM 1373 CD1 PHE B 36 90.646 67.105 -78.736 1.00 14.38 C ATOM 1374 CD2 PHE B 36 89.470 68.660 -77.391 1.00 12.39 C ATOM 1375 CE1 PHE B 36 91.789 67.272 -77.943 1.00 14.32 C ATOM 1376 CE2 PHE B 36 90.577 68.778 -76.559 1.00 15.66 C ATOM 1377 CZ PHE B 36 91.719 68.057 -76.831 1.00 13.88 C ATOM 1378 H PHE B 36 86.010 67.037 -80.548 1.00 0.00 H ATOM 1379 N LEU B 37 86.099 66.775 -77.493 1.00 12.40 N ATOM 1380 CA LEU B 37 85.534 66.585 -76.137 1.00 12.90 C ATOM 1381 C LEU B 37 84.627 65.387 -76.030 1.00 13.04 C ATOM 1382 O LEU B 37 84.408 64.864 -74.907 1.00 14.17 O ATOM 1383 CB LEU B 37 84.815 67.858 -75.647 1.00 14.65 C ATOM 1384 CG LEU B 37 85.730 69.053 -75.440 1.00 15.39 C ATOM 1385 CD1 LEU B 37 84.981 70.298 -75.045 1.00 15.45 C ATOM 1386 CD2 LEU B 37 86.800 68.738 -74.417 1.00 20.15 C ATOM 1387 H LEU B 37 85.660 67.463 -78.138 1.00 0.00 H ATOM 1388 N LYS B 38 84.113 64.911 -77.161 1.00 13.70 N ATOM 1389 CA LYS B 38 83.203 63.763 -77.165 1.00 14.35 C ATOM 1390 C LYS B 38 82.019 64.000 -76.246 1.00 14.73 C ATOM 1391 O LYS B 38 81.564 63.079 -75.529 1.00 17.87 O ATOM 1392 CB LYS B 38 83.952 62.476 -76.839 1.00 16.77 C ATOM 1393 CG LYS B 38 85.096 62.205 -77.789 1.00 18.21 C ATOM 1394 CD LYS B 38 85.913 61.013 -77.379 1.00 21.34 C ATOM 1395 CE LYS B 38 87.110 60.833 -78.305 1.00 21.92 C ATOM 1396 NZ LYS B 38 87.938 59.675 -77.854 1.00 22.80 N ATOM 1397 HZ1 LYS B 38 88.277 59.849 -76.886 1.00 0.00 H ATOM 1398 HZ2 LYS B 38 87.360 58.810 -77.870 1.00 0.00 H ATOM 1399 HZ3 LYS B 38 88.751 59.562 -78.493 1.00 0.00 H ATOM 1400 H LYS B 38 84.363 65.364 -78.063 1.00 0.00 H ATOM 1401 N ALA B 39 81.527 65.240 -76.253 1.00 12.64 N ATOM 1402 CA ALA B 39 80.395 65.645 -75.441 1.00 13.47 C ATOM 1403 C ALA B 39 79.361 66.311 -76.317 1.00 12.54 C ATOM 1404 O ALA B 39 79.651 66.694 -77.440 1.00 14.00 O ATOM 1405 CB ALA B 39 80.846 66.605 -74.364 1.00 15.82 C ATOM 1406 H ALA B 39 81.975 65.948 -76.868 1.00 0.00 H ATOM 1407 N GLY B 40 78.166 66.446 -75.798 1.00 12.30 N ATOM 1408 CA GLY B 40 77.073 67.011 -76.580 1.00 11.14 C ATOM 1409 C GLY B 40 77.268 68.459 -76.936 1.00 10.57 C ATOM 1410 O GLY B 40 77.786 69.262 -76.150 1.00 11.31 O ATOM 1411 H GLY B 40 77.995 66.147 -74.817 1.00 0.00 H ATOM 1412 N ASN B 41 76.965 68.761 -78.175 1.00 10.06 N ATOM 1413 CA ASN B 41 76.789 70.120 -78.640 1.00 9.54 C ATOM 1414 C ASN B 41 75.665 70.122 -79.666 1.00 10.08 C ATOM 1415 O ASN B 41 74.892 69.157 -79.746 1.00 9.68 O ATOM 1416 CB ASN B 41 78.097 70.746 -79.135 1.00 9.75 C ATOM 1417 CG ASN B 41 78.786 69.979 -80.259 1.00 10.34 C ATOM 1418 OD1 ASN B 41 78.238 69.042 -80.853 1.00 10.18 O ATOM 1419 ND2 ASN B 41 80.065 70.292 -80.449 1.00 12.25 N ATOM 1420 HD22 ASN B 41 80.488 71.088 -79.930 1.00 0.00 H ATOM 1421 HD21 ASN B 41 80.642 69.741 -81.117 1.00 0.00 H ATOM 1422 H ASN B 41 76.845 67.986 -78.858 1.00 0.00 H ATOM 1423 N THR B 42 75.433 71.263 -80.283 1.00 9.11 N ATOM 1424 CA THR B 42 74.267 71.446 -81.126 1.00 10.18 C ATOM 1425 C THR B 42 74.694 71.987 -82.465 1.00 9.36 C ATOM 1426 O THR B 42 75.479 72.884 -82.549 1.00 10.15 O ATOM 1427 CB THR B 42 73.270 72.471 -80.470 1.00 13.20 C ATOM 1428 OG1 THR B 42 72.767 71.944 -79.221 1.00 14.20 O ATOM 1429 CG2 THR B 42 72.106 72.750 -81.329 1.00 15.64 C ATOM 1430 HG1 THR B 42 73.524 71.785 -78.603 1.00 0.00 H ATOM 1431 H THR B 42 76.101 72.051 -80.163 1.00 0.00 H ATOM 1432 N THR B 43 74.164 71.405 -83.514 1.00 9.66 N ATOM 1433 CA THR B 43 74.377 71.890 -84.858 1.00 9.17 C ATOM 1434 C THR B 43 73.074 72.417 -85.452 1.00 9.25 C ATOM 1435 O THR B 43 72.087 71.672 -85.576 1.00 9.58 O ATOM 1436 CB THR B 43 75.009 70.798 -85.740 1.00 10.05 C ATOM 1437 OG1 THR B 43 76.293 70.404 -85.192 1.00 10.51 O ATOM 1438 CG2 THR B 43 75.277 71.300 -87.150 1.00 11.96 C ATOM 1439 HG1 THR B 43 76.165 70.052 -84.276 1.00 0.00 H ATOM 1440 H THR B 43 73.569 70.564 -83.373 1.00 0.00 H ATOM 1441 N PHE B 44 73.082 73.654 -85.936 1.00 8.62 N ATOM 1442 CA PHE B 44 71.945 74.191 -86.627 1.00 8.84 C ATOM 1443 C PHE B 44 72.208 74.154 -88.093 1.00 7.95 C ATOM 1444 O PHE B 44 73.347 74.449 -88.516 1.00 8.69 O ATOM 1445 CB PHE B 44 71.672 75.647 -86.224 1.00 8.97 C ATOM 1446 CG PHE B 44 71.003 75.804 -84.885 1.00 10.25 C ATOM 1447 CD1 PHE B 44 69.620 75.823 -84.766 1.00 13.53 C ATOM 1448 CD2 PHE B 44 71.761 75.900 -83.743 1.00 12.99 C ATOM 1449 CE1 PHE B 44 69.011 75.956 -83.523 1.00 15.40 C ATOM 1450 CE2 PHE B 44 71.155 76.010 -82.505 1.00 12.20 C ATOM 1451 CZ PHE B 44 69.785 76.064 -82.409 1.00 13.72 C ATOM 1452 H PHE B 44 73.929 74.245 -85.812 1.00 0.00 H ATOM 1453 N ILE B 45 71.179 73.798 -88.852 1.00 7.07 N ATOM 1454 CA ILE B 45 71.174 73.931 -90.304 1.00 8.16 C ATOM 1455 C ILE B 45 70.180 75.035 -90.663 1.00 7.79 C ATOM 1456 O ILE B 45 69.006 74.961 -90.270 1.00 8.68 O ATOM 1457 CB ILE B 45 70.752 72.596 -90.934 1.00 10.15 C ATOM 1458 CG1 ILE B 45 71.788 71.514 -90.609 1.00 14.49 C ATOM 1459 CG2 ILE B 45 70.595 72.776 -92.444 1.00 13.66 C ATOM 1460 CD1 ILE B 45 71.367 70.108 -91.042 1.00 18.54 C ATOM 1461 H ILE B 45 70.335 73.405 -88.388 1.00 0.00 H ATOM 1462 N ILE B 46 70.672 76.082 -91.344 1.00 6.67 N ATOM 1463 CA ILE B 46 69.899 77.281 -91.663 1.00 7.46 C ATOM 1464 C ILE B 46 70.040 77.525 -93.160 1.00 8.53 C ATOM 1465 O ILE B 46 71.120 77.945 -93.636 1.00 6.93 O ATOM 1466 CB ILE B 46 70.438 78.507 -90.858 1.00 7.89 C ATOM 1467 CG1 ILE B 46 70.519 78.173 -89.386 1.00 8.52 C ATOM 1468 CG2 ILE B 46 69.601 79.748 -91.148 1.00 9.12 C ATOM 1469 CD1 ILE B 46 71.548 79.008 -88.622 1.00 9.57 C ATOM 1470 H ILE B 46 71.661 76.038 -91.663 1.00 0.00 H ATOM 1471 N GLY B 47 68.977 77.312 -93.922 1.00 7.23 N ATOM 1472 CA GLY B 47 68.990 77.625 -95.362 1.00 6.94 C ATOM 1473 C GLY B 47 68.458 79.022 -95.585 1.00 8.46 C ATOM 1474 O GLY B 47 67.439 79.394 -94.988 1.00 9.01 O ATOM 1475 H GLY B 47 68.116 76.916 -93.495 1.00 0.00 H ATOM 1476 N THR B 48 69.122 79.808 -96.436 1.00 8.89 N ATOM 1477 CA THR B 48 68.635 81.168 -96.659 1.00 10.80 C ATOM 1478 C THR B 48 69.148 81.706 -97.979 1.00 9.52 C ATOM 1479 O THR B 48 69.965 81.094 -98.665 1.00 10.80 O ATOM 1480 CB THR B 48 68.977 82.101 -95.494 1.00 11.82 C ATOM 1481 OG1 THR B 48 68.162 83.273 -95.586 1.00 13.74 O ATOM 1482 CG2 THR B 48 70.408 82.466 -95.471 1.00 12.76 C ATOM 1483 HG1 THR B 48 68.377 83.882 -94.836 1.00 0.00 H ATOM 1484 H THR B 48 69.968 79.460 -96.930 1.00 0.00 H ATOM 1485 N GLU B 49 68.612 82.854 -98.391 1.00 10.84 N ATOM 1486 CA GLU B 49 69.102 83.512 -99.597 1.00 10.91 C ATOM 1487 C GLU B 49 70.493 84.090 -99.395 1.00 12.04 C ATOM 1488 O GLU B 49 70.863 84.472 -98.279 1.00 11.68 O ATOM 1489 CB GLU B 49 68.165 84.670 -99.949 1.00 13.25 C ATOM 1490 CG GLU B 49 66.821 84.215-100.442 1.00 14.29 C ATOM 1491 CD GLU B 49 65.899 83.762 -99.370 1.00 17.23 C ATOM 1492 OE1 GLU B 49 65.916 84.309 -98.214 1.00 19.35 O ATOM 1493 OE2 GLU B 49 65.212 82.804 -99.666 1.00 21.67 O ATOM 1494 H GLU B 49 67.837 83.285 -97.848 1.00 0.00 H ATOM 1495 N ASP B 50 71.226 84.239-100.490 1.00 11.51 N ATOM 1496 CA ASP B 50 72.573 84.790-100.405 1.00 12.19 C ATOM 1497 C ASP B 50 72.627 86.086 -99.634 1.00 12.44 C ATOM 1498 O ASP B 50 73.543 86.303 -98.852 1.00 13.38 O ATOM 1499 CB ASP B 50 73.187 85.015-101.808 1.00 13.89 C ATOM 1500 CG ASP B 50 73.487 83.722-102.551 1.00 20.36 C ATOM 1501 OD1 ASP B 50 73.362 82.616-101.980 1.00 15.86 O ATOM 1502 OD2 ASP B 50 73.793 83.815-103.769 1.00 21.29 O ATOM 1503 H ASP B 50 70.838 83.961-101.414 1.00 0.00 H ATOM 1504 N GLU B 51 71.703 87.002 -99.956 1.00 14.59 N ATOM 1505 CA GLU B 51 71.721 88.326 -99.374 1.00 16.29 C ATOM 1506 C GLU B 51 71.435 88.382 -97.875 1.00 14.90 C ATOM 1507 O GLU B 51 71.657 89.423 -97.224 1.00 17.32 O ATOM 1508 CB GLU B 51 70.775 89.261-100.157 1.00 19.23 C ATOM 1509 CG GLU B 51 69.299 88.937-100.031 1.00 25.74 C ATOM 1510 CD GLU B 51 68.409 90.028-100.647 1.00 40.90 C ATOM 1511 OE1 GLU B 51 68.908 90.792-101.513 1.00 46.40 O ATOM 1512 OE2 GLU B 51 67.221 90.128-100.256 1.00 42.48 O ATOM 1513 H GLU B 51 70.958 86.756-100.638 1.00 0.00 H ATOM 1514 N ARG B 52 70.973 87.262 -97.294 1.00 11.88 N ATOM 1515 CA ARG B 52 70.621 87.225 -95.896 1.00 11.13 C ATOM 1516 C ARG B 52 71.661 86.456 -95.052 1.00 10.22 C ATOM 1517 O ARG B 52 71.570 86.449 -93.837 1.00 10.94 O ATOM 1518 CB ARG B 52 69.252 86.581 -95.685 1.00 11.51 C ATOM 1519 CG ARG B 52 68.082 87.215 -96.414 1.00 12.40 C ATOM 1520 CD ARG B 52 66.792 86.593 -95.920 1.00 14.26 C ATOM 1521 NE ARG B 52 66.528 86.937 -94.554 1.00 12.84 N ATOM 1522 CZ ARG B 52 65.702 86.305 -93.727 1.00 14.42 C ATOM 1523 NH1 ARG B 52 64.971 85.302 -94.131 1.00 17.29 N ATOM 1524 NH2 ARG B 52 65.522 86.793 -92.528 1.00 16.31 N ATOM 1525 HE ARG B 52 67.033 87.763 -94.172 1.00 0.00 H ATOM 1526 HH12 ARG B 52 64.332 84.823 -93.465 1.00 0.00 H ATOM 1527 HH11 ARG B 52 65.028 84.982 -95.119 1.00 0.00 H ATOM 1528 HH22 ARG B 52 64.880 86.316 -91.863 1.00 0.00 H ATOM 1529 HH21 ARG B 52 66.021 87.659 -92.239 1.00 0.00 H ATOM 1530 H ARG B 52 70.867 86.400 -97.867 1.00 0.00 H ATOM 1531 N VAL B 53 72.678 85.919 -95.698 1.00 11.69 N ATOM 1532 CA VAL B 53 73.711 85.127 -94.984 1.00 12.82 C ATOM 1533 C VAL B 53 74.414 85.927 -93.916 1.00 11.72 C ATOM 1534 O VAL B 53 74.521 85.481 -92.782 1.00 13.02 O ATOM 1535 CB VAL B 53 74.728 84.531 -95.953 1.00 12.75 C ATOM 1536 CG1 VAL B 53 75.909 83.932 -95.207 1.00 13.48 C ATOM 1537 CG2 VAL B 53 74.044 83.480 -96.809 1.00 13.16 C ATOM 1538 H VAL B 53 72.758 86.053 -96.726 1.00 0.00 H ATOM 1539 N GLU B 54 74.855 87.150 -94.242 1.00 14.23 N ATOM 1540 CA GLU B 54 75.546 87.975 -93.229 1.00 13.69 C ATOM 1541 C GLU B 54 74.620 88.327 -92.068 1.00 13.30 C ATOM 1542 O GLU B 54 75.065 88.391 -90.907 1.00 12.48 O ATOM 1543 CB GLU B 54 76.186 89.230 -93.850 1.00 18.25 C ATOM 1544 CG GLU B 54 77.333 88.947 -94.826 1.00 21.45 C ATOM 1545 CD GLU B 54 78.604 88.350 -94.206 1.00 29.95 C ATOM 1546 OE1 GLU B 54 78.885 88.555 -93.000 1.00 37.39 O ATOM 1547 OE2 GLU B 54 79.371 87.716 -94.961 1.00 37.87 O ATOM 1548 H GLU B 54 74.711 87.517 -95.204 1.00 0.00 H ATOM 1549 N ASP B 55 73.307 88.465 -92.318 1.00 12.20 N ATOM 1550 CA ASP B 55 72.397 88.688 -91.204 1.00 13.99 C ATOM 1551 C ASP B 55 72.330 87.455 -90.282 1.00 12.18 C ATOM 1552 O ASP B 55 72.249 87.588 -89.070 1.00 13.24 O ATOM 1553 CB ASP B 55 70.991 89.035 -91.694 1.00 14.21 C ATOM 1554 CG ASP B 55 70.927 90.345 -92.459 1.00 20.73 C ATOM 1555 OD1 ASP B 55 71.765 91.216 -92.191 1.00 20.43 O ATOM 1556 OD2 ASP B 55 70.016 90.490 -93.340 1.00 23.73 O ATOM 1557 H ASP B 55 72.947 88.413 -93.292 1.00 0.00 H ATOM 1558 N ALA B 56 72.259 86.247 -90.883 1.00 10.51 N ATOM 1559 CA ALA B 56 72.199 85.044 -90.087 1.00 11.15 C ATOM 1560 C ALA B 56 73.470 84.893 -89.244 1.00 8.92 C ATOM 1561 O ALA B 56 73.422 84.524 -88.093 1.00 10.20 O ATOM 1562 CB ALA B 56 72.002 83.840 -90.969 1.00 10.82 C ATOM 1563 H ALA B 56 72.248 86.184 -91.921 1.00 0.00 H ATOM 1564 N LEU B 57 74.607 85.169 -89.866 1.00 10.83 N ATOM 1565 CA LEU B 57 75.895 85.098 -89.178 1.00 12.04 C ATOM 1566 C LEU B 57 75.969 86.082 -88.025 1.00 12.53 C ATOM 1567 O LEU B 57 76.528 85.791 -86.993 1.00 13.13 O ATOM 1568 CB LEU B 57 77.027 85.376 -90.159 1.00 11.59 C ATOM 1569 CG LEU B 57 77.287 84.340 -91.247 1.00 14.05 C ATOM 1570 CD1 LEU B 57 78.347 84.822 -92.228 1.00 16.20 C ATOM 1571 CD2 LEU B 57 77.670 83.018 -90.608 1.00 14.46 C ATOM 1572 H LEU B 57 74.583 85.443 -90.869 1.00 0.00 H ATOM 1573 N ALA B 58 75.339 87.250 -88.167 1.00 11.95 N ATOM 1574 CA ALA B 58 75.354 88.202 -87.117 1.00 12.77 C ATOM 1575 C ALA B 58 74.517 87.758 -85.958 1.00 14.00 C ATOM 1576 O ALA B 58 74.869 87.967 -84.797 1.00 13.45 O ATOM 1577 CB ALA B 58 74.861 89.568 -87.649 1.00 12.32 C ATOM 1578 H ALA B 58 74.835 87.462 -89.052 1.00 0.00 H ATOM 1579 N ILE B 59 73.382 87.119 -86.232 1.00 11.86 N ATOM 1580 CA ILE B 59 72.607 86.511 -85.185 1.00 10.99 C ATOM 1581 C ILE B 59 73.372 85.417 -84.439 1.00 11.26 C ATOM 1582 O ILE B 59 73.337 85.344 -83.193 1.00 12.09 O ATOM 1583 CB ILE B 59 71.255 86.012 -85.719 1.00 11.99 C ATOM 1584 CG1 ILE B 59 70.407 87.233 -86.137 1.00 12.55 C ATOM 1585 CG2 ILE B 59 70.562 85.132 -84.702 1.00 11.42 C ATOM 1586 CD1 ILE B 59 69.225 86.849 -87.023 1.00 14.69 C ATOM 1587 H ILE B 59 73.052 87.059 -87.216 1.00 0.00 H ATOM 1588 N ILE B 60 74.085 84.567 -85.181 1.00 12.12 N ATOM 1589 CA ILE B 60 74.889 83.550 -84.552 1.00 11.89 C ATOM 1590 C ILE B 60 75.953 84.192 -83.638 1.00 12.54 C ATOM 1591 O ILE B 60 76.107 83.798 -82.483 1.00 13.79 O ATOM 1592 CB ILE B 60 75.525 82.629 -85.599 1.00 10.22 C ATOM 1593 CG1 ILE B 60 74.422 81.849 -86.350 1.00 11.03 C ATOM 1594 CG2 ILE B 60 76.500 81.650 -84.938 1.00 11.62 C ATOM 1595 CD1 ILE B 60 74.849 81.273 -87.663 1.00 11.85 C ATOM 1596 H ILE B 60 74.060 84.639 -86.218 1.00 0.00 H ATOM 1597 N LYS B 61 76.711 85.130 -84.190 1.00 13.13 N ATOM 1598 CA LYS B 61 77.775 85.804 -83.439 1.00 14.00 C ATOM 1599 C LYS B 61 77.246 86.441 -82.153 1.00 15.65 C ATOM 1600 O LYS B 61 77.867 86.328 -81.081 1.00 15.08 O ATOM 1601 CB LYS B 61 78.482 86.842 -84.312 1.00 15.50 C ATOM 1602 CG LYS B 61 79.668 87.518 -83.615 1.00 19.27 C ATOM 1603 CD LYS B 61 80.385 88.466 -84.555 1.00 21.98 C ATOM 1604 CE LYS B 61 81.605 89.101 -83.901 1.00 28.58 C ATOM 1605 NZ LYS B 61 82.400 89.834 -84.937 1.00 35.88 N ATOM 1606 HZ1 LYS B 61 82.708 89.166 -85.673 1.00 0.00 H ATOM 1607 HZ2 LYS B 61 81.809 90.575 -85.365 1.00 0.00 H ATOM 1608 HZ3 LYS B 61 83.233 90.268 -84.490 1.00 0.00 H ATOM 1609 H LYS B 61 76.546 85.395 -85.182 1.00 0.00 H ATOM 1610 N GLU B 62 76.078 87.064 -82.242 1.00 15.26 N ATOM 1611 CA GLU B 62 75.539 87.836 -81.134 1.00 16.40 C ATOM 1612 C GLU B 62 74.862 86.961 -80.065 1.00 15.52 C ATOM 1613 O GLU B 62 74.590 87.424 -78.966 1.00 19.83 O ATOM 1614 CB GLU B 62 74.564 88.892 -81.670 1.00 19.84 C ATOM 1615 CG GLU B 62 75.261 89.992 -82.456 1.00 21.74 C ATOM 1616 CD GLU B 62 74.363 90.741 -83.447 1.00 25.77 C ATOM 1617 OE1 GLU B 62 73.160 90.435 -83.533 1.00 29.29 O ATOM 1618 OE2 GLU B 62 74.869 91.647 -84.153 1.00 28.25 O ATOM 1619 H GLU B 62 75.534 86.999 -83.126 1.00 0.00 H ATOM 1620 N ASN B 63 74.601 85.689 -80.374 1.00 14.20 N ATOM 1621 CA ASN B 63 73.921 84.839 -79.455 1.00 13.57 C ATOM 1622 C ASN B 63 74.765 83.667 -78.895 1.00 15.19 C ATOM 1623 O ASN B 63 74.295 82.889 -78.062 1.00 20.06 O ATOM 1624 CB ASN B 63 72.598 84.380 -80.075 1.00 12.49 C ATOM 1625 CG ASN B 63 71.566 85.510 -80.119 1.00 14.28 C ATOM 1626 OD1 ASN B 63 70.973 85.821 -79.077 1.00 17.54 O ATOM 1627 ND2 ASN B 63 71.469 86.218 -81.230 1.00 15.08 N ATOM 1628 HD22 ASN B 63 71.984 85.921 -82.083 1.00 0.00 H ATOM 1629 HD21 ASN B 63 70.877 87.073 -81.252 1.00 0.00 H ATOM 1630 H ASN B 63 74.898 85.314 -81.297 1.00 0.00 H ATOM 1631 N CYS B 64 76.016 83.571 -79.339 1.00 14.80 N ATOM 1632 CA CYS B 64 76.857 82.471 -78.963 1.00 15.65 C ATOM 1633 C CYS B 64 78.093 83.088 -78.278 1.00 18.37 C ATOM 1634 O CYS B 64 78.497 84.216 -78.605 1.00 24.49 O ATOM 1635 CB CYS B 64 77.224 81.639 -80.160 1.00 16.84 C ATOM 1636 SG CYS B 64 75.823 80.846 -81.000 1.00 19.13 S ATOM 1637 H CYS B 64 76.391 84.307 -79.970 1.00 0.00 H ATOM 1638 N LYS B 65 78.547 82.439 -77.226 1.00 13.54 N ATOM 1639 CA LYS B 65 79.642 82.958 -76.401 1.00 14.67 C ATOM 1640 C LYS B 65 80.736 81.881 -76.314 1.00 11.45 C ATOM 1641 O LYS B 65 80.434 80.763 -75.927 1.00 12.84 O ATOM 1642 CB LYS B 65 79.080 83.196 -75.020 1.00 18.62 C ATOM 1643 CG LYS B 65 79.981 83.900 -74.063 1.00 25.36 C ATOM 1644 CD LYS B 65 79.343 83.882 -72.700 1.00 32.78 C ATOM 1645 CE LYS B 65 80.191 84.607 -71.680 1.00 41.27 C ATOM 1646 NZ LYS B 65 79.557 84.438 -70.347 1.00 49.88 N ATOM 1647 HZ1 LYS B 65 78.598 84.840 -70.367 1.00 0.00 H ATOM 1648 HZ2 LYS B 65 79.505 83.426 -70.115 1.00 0.00 H ATOM 1649 HZ3 LYS B 65 80.126 84.930 -69.629 1.00 0.00 H ATOM 1650 H LYS B 65 78.114 81.528 -76.972 1.00 0.00 H ATOM 1651 N ALA B 66 81.982 82.282 -76.507 1.00 12.86 N ATOM 1652 CA ALA B 66 83.106 81.415 -76.190 1.00 13.86 C ATOM 1653 C ALA B 66 83.173 81.177 -74.661 1.00 14.84 C ATOM 1654 O ALA B 66 82.870 82.078 -73.833 1.00 14.37 O ATOM 1655 CB ALA B 66 84.408 82.018 -76.713 1.00 14.89 C ATOM 1656 H ALA B 66 82.160 83.232 -76.891 1.00 0.00 H ATOM 1657 N ARG B 67 83.530 79.947 -74.288 1.00 12.54 N ATOM 1658 CA ARG B 67 83.613 79.538 -72.864 1.00 13.19 C ATOM 1659 C ARG B 67 84.751 78.565 -72.666 1.00 14.52 C ATOM 1660 O ARG B 67 85.233 77.933 -73.614 1.00 12.65 O ATOM 1661 CB ARG B 67 82.310 78.874 -72.378 1.00 12.58 C ATOM 1662 CG ARG B 67 81.032 79.734 -72.471 1.00 13.79 C ATOM 1663 CD ARG B 67 79.878 79.022 -71.801 1.00 14.16 C ATOM 1664 NE ARG B 67 78.642 79.826 -71.834 1.00 16.03 N ATOM 1665 CZ ARG B 67 77.878 79.963 -72.907 1.00 19.88 C ATOM 1666 NH1 ARG B 67 78.200 79.319 -74.021 1.00 16.62 N ATOM 1667 NH2 ARG B 67 76.851 80.831 -72.906 1.00 18.54 N ATOM 1668 HE ARG B 67 78.353 80.315 -70.963 1.00 0.00 H ATOM 1669 HH12 ARG B 67 77.607 79.419 -74.870 1.00 0.00 H ATOM 1670 HH11 ARG B 67 79.045 78.714 -74.046 1.00 0.00 H ATOM 1671 HH22 ARG B 67 76.256 80.933 -73.753 1.00 0.00 H ATOM 1672 HH21 ARG B 67 76.652 81.400 -72.059 1.00 0.00 H ATOM 1673 H ARG B 67 83.759 79.248 -75.023 1.00 0.00 H ATOM 1674 N GLU B 68 85.150 78.395 -71.417 1.00 12.38 N ATOM 1675 CA GLU B 68 85.881 77.240 -70.996 1.00 12.03 C ATOM 1676 C GLU B 68 84.927 76.147 -70.612 1.00 13.17 C ATOM 1677 O GLU B 68 83.982 76.369 -69.829 1.00 14.11 O ATOM 1678 CB GLU B 68 86.825 77.576 -69.824 1.00 11.30 C ATOM 1679 CG GLU B 68 87.801 78.668 -70.157 1.00 11.20 C ATOM 1680 CD GLU B 68 88.933 78.821 -69.119 1.00 12.09 C ATOM 1681 OE1 GLU B 68 88.990 78.000 -68.186 1.00 14.18 O ATOM 1682 OE2 GLU B 68 89.775 79.731 -69.313 1.00 11.82 O ATOM 1683 H GLU B 68 84.924 79.128 -70.715 1.00 0.00 H ATOM 1684 N GLN B 69 85.167 74.956 -71.143 1.00 11.93 N ATOM 1685 CA GLN B 69 84.345 73.768 -70.823 1.00 12.60 C ATOM 1686 C GLN B 69 85.159 72.689 -70.152 1.00 14.55 C ATOM 1687 O GLN B 69 86.277 72.378 -70.576 1.00 13.99 O ATOM 1688 CB GLN B 69 83.724 73.220 -72.135 1.00 14.25 C ATOM 1689 CG GLN B 69 82.759 72.047 -71.923 1.00 13.94 C ATOM 1690 CD GLN B 69 82.008 71.667 -73.215 1.00 15.00 C ATOM 1691 OE1 GLN B 69 81.840 70.457 -73.539 1.00 20.37 O ATOM 1692 NE2 GLN B 69 81.543 72.650 -73.909 1.00 12.64 N ATOM 1693 HE22 GLN B 69 81.709 73.629 -73.600 1.00 0.00 H ATOM 1694 HE21 GLN B 69 81.003 72.463 -74.778 1.00 0.00 H ATOM 1695 H GLN B 69 85.960 74.853 -71.807 1.00 0.00 H ATOM 1696 N MET B 70 84.602 72.016 -69.133 1.00 19.38 N ATOM 1697 CA MET B 70 85.325 70.870 -68.526 1.00 20.17 C ATOM 1698 C MET B 70 85.244 69.582 -69.353 1.00 22.77 C ATOM 1699 O MET B 70 84.159 69.189 -69.778 1.00 24.65 O ATOM 1700 CB MET B 70 84.815 70.583 -67.122 1.00 26.15 C ATOM 1701 CG MET B 70 84.847 71.793 -66.209 1.00 30.35 C ATOM 1702 SD MET B 70 84.613 71.302 -64.474 1.00 34.82 S ATOM 1703 CE MET B 70 84.265 72.926 -63.773 1.00 23.23 C ATOM 1704 H MET B 70 83.668 72.296 -68.770 1.00 0.00 H ATOM 1705 N MET B 71 86.381 68.927 -69.562 1.00 25.32 N ATOM 1706 CA MET B 71 86.422 67.647 -70.233 1.00 25.39 C ATOM 1707 C MET B 71 86.231 66.476 -69.268 1.00 34.19 C ATOM 1708 O MET B 71 86.867 66.429 -68.216 1.00 34.17 O ATOM 1709 CB MET B 71 87.749 67.468 -70.972 1.00 24.51 C ATOM 1710 CG MET B 71 87.800 66.182 -71.779 1.00 29.59 C ATOM 1711 SD MET B 71 89.479 65.691 -72.215 1.00 45.16 S ATOM 1712 CE MET B 71 89.970 66.999 -73.265 1.00 24.62 C ATOM 1713 H MET B 71 87.272 69.350 -69.232 1.00 0.00 H ATOM 1714 N THR B 72 85.454 65.477 -69.690 1.00 35.06 N ATOM 1715 CA THR B 72 85.302 64.225 -68.912 1.00 40.38 C ATOM 1716 C THR B 72 86.689 63.672 -68.493 1.00 44.16 C ATOM 1717 O THR B 72 87.596 63.599 -69.313 1.00 44.15 O ATOM 1718 CB THR B 72 84.538 63.164 -69.744 1.00 42.51 C ATOM 1719 OG1 THR B 72 83.470 63.803 -70.459 1.00 39.86 O ATOM 1720 CG2 THR B 72 83.959 62.056 -68.841 1.00 46.53 C ATOM 1721 HG1 THR B 72 83.845 64.492 -71.063 1.00 0.00 H ATOM 1722 H THR B 72 84.941 65.580 -70.589 1.00 0.00 H ATOM 1723 N PRO B 73 86.881 63.361 -67.192 1.00 52.81 N ATOM 1724 CA PRO B 73 88.255 63.026 -66.734 1.00 58.02 C ATOM 1725 C PRO B 73 88.729 61.603 -67.063 1.00 55.24 C ATOM 1726 O PRO B 73 88.151 60.933 -67.921 1.00 55.25 O ATOM 1727 CB PRO B 73 88.185 63.222 -65.212 1.00 59.30 C ATOM 1728 CG PRO B 73 86.738 63.157 -64.864 1.00 56.75 C ATOM 1729 CD PRO B 73 85.978 63.661 -66.065 1.00 57.74 C TER 1730 PRO B 73 ATOM 1731 N THR B 80 100.402 55.696 -59.857 1.00 45.70 N ATOM 1732 CA THR B 80 100.867 55.989 -58.507 1.00 35.24 C ATOM 1733 C THR B 80 100.368 54.958 -57.436 1.00 30.46 C ATOM 1734 O THR B 80 99.231 54.522 -57.413 1.00 30.39 O ATOM 1735 CB THR B 80 100.396 57.386 -58.085 1.00 34.94 C ATOM 1736 OG1 THR B 80 98.983 57.469 -58.272 1.00 29.90 O ATOM 1737 CG2 THR B 80 101.083 58.480 -58.903 1.00 47.34 C ATOM 1738 HG1 THR B 80 98.537 56.781 -57.717 1.00 0.00 H ATOM 1739 HN3 THR B 80 99.362 55.707 -59.874 1.00 0.00 H ATOM 1740 HN2 THR B 80 100.745 54.757 -60.144 1.00 0.00 H ATOM 1741 HN1 THR B 80 100.768 56.416 -60.512 1.00 0.00 H ATOM 1742 N VAL B 81 101.157 54.878 -56.378 1.00 22.20 N ATOM 1743 CA VAL B 81 100.796 54.279 -55.158 1.00 17.62 C ATOM 1744 C VAL B 81 99.704 55.009 -54.440 1.00 18.81 C ATOM 1745 O VAL B 81 98.803 54.382 -53.894 1.00 23.93 O ATOM 1746 CB VAL B 81 102.054 54.263 -54.256 1.00 16.92 C ATOM 1747 CG1 VAL B 81 101.786 53.513 -52.970 1.00 17.46 C ATOM 1748 CG2 VAL B 81 103.211 53.614 -54.988 1.00 22.09 C ATOM 1749 H VAL B 81 102.111 55.286 -56.453 1.00 0.00 H ATOM 1750 N ASP B 82 99.809 56.331 -54.367 1.00 16.60 N ATOM 1751 CA ASP B 82 98.777 57.141 -53.686 1.00 19.44 C ATOM 1752 C ASP B 82 97.819 57.644 -54.777 1.00 19.63 C ATOM 1753 O ASP B 82 98.221 57.821 -55.930 1.00 19.18 O ATOM 1754 CB ASP B 82 99.430 58.323 -52.940 1.00 21.41 C ATOM 1755 CG ASP B 82 100.510 57.876 -51.917 1.00 24.46 C ATOM 1756 OD1 ASP B 82 100.194 57.031 -51.063 1.00 31.69 O ATOM 1757 OD2 ASP B 82 101.708 58.246 -52.034 1.00 23.13 O ATOM 1758 H ASP B 82 100.630 56.804 -54.796 1.00 0.00 H ATOM 1759 N THR B 83 96.534 57.693 -54.459 1.00 17.13 N ATOM 1760 CA THR B 83 95.520 58.219 -55.390 1.00 16.51 C ATOM 1761 C THR B 83 95.307 59.684 -55.058 1.00 13.82 C ATOM 1762 O THR B 83 95.064 60.011 -53.916 1.00 13.77 O ATOM 1763 CB THR B 83 94.173 57.504 -55.202 1.00 20.18 C ATOM 1764 OG1 THR B 83 94.352 56.085 -55.414 1.00 21.71 O ATOM 1765 CG2 THR B 83 93.139 58.019 -56.209 1.00 22.07 C ATOM 1766 HG1 THR B 83 93.485 55.623 -55.293 1.00 0.00 H ATOM 1767 H THR B 83 96.232 57.350 -53.525 1.00 0.00 H ATOM 1768 N TYR B 84 95.298 60.526 -56.082 1.00 14.63 N ATOM 1769 CA TYR B 84 95.074 61.961 -55.904 1.00 16.64 C ATOM 1770 C TYR B 84 93.782 62.374 -56.613 1.00 17.35 C ATOM 1771 O TYR B 84 93.391 61.762 -57.624 1.00 16.47 O ATOM 1772 CB TYR B 84 96.213 62.740 -56.535 1.00 17.01 C ATOM 1773 CG TYR B 84 97.507 62.652 -55.808 1.00 20.36 C ATOM 1774 CD1 TYR B 84 97.806 63.548 -54.817 1.00 24.68 C ATOM 1775 CD2 TYR B 84 98.429 61.641 -56.102 1.00 21.37 C ATOM 1776 CE1 TYR B 84 98.994 63.467 -54.105 1.00 26.02 C ATOM 1777 CE2 TYR B 84 99.616 61.542 -55.391 1.00 25.41 C ATOM 1778 CZ TYR B 84 99.901 62.476 -54.416 1.00 26.64 C ATOM 1779 OH TYR B 84 101.099 62.484 -53.730 1.00 31.70 O ATOM 1780 HH TYR B 84 101.844 62.602 -54.371 1.00 0.00 H ATOM 1781 H TYR B 84 95.455 60.155 -57.041 1.00 0.00 H ATOM 1782 N VAL B 85 93.165 63.441 -56.128 1.00 13.82 N ATOM 1783 CA VAL B 85 92.008 63.996 -56.814 1.00 13.54 C ATOM 1784 C VAL B 85 92.518 64.585 -58.122 1.00 13.56 C ATOM 1785 O VAL B 85 93.454 65.392 -58.136 1.00 14.90 O ATOM 1786 CB VAL B 85 91.336 65.122 -55.972 1.00 14.40 C ATOM 1787 CG1 VAL B 85 90.130 65.670 -56.698 1.00 17.14 C ATOM 1788 CG2 VAL B 85 90.898 64.616 -54.625 1.00 13.73 C ATOM 1789 H VAL B 85 93.509 63.884 -55.252 1.00 0.00 H ATOM 1790 N PRO B 86 91.966 64.150 -59.255 1.00 14.58 N ATOM 1791 CA PRO B 86 92.437 64.698 -60.549 1.00 16.23 C ATOM 1792 C PRO B 86 92.089 66.177 -60.707 1.00 14.80 C ATOM 1793 O PRO B 86 91.029 66.597 -60.231 1.00 15.96 O ATOM 1794 CB PRO B 86 91.674 63.892 -61.599 1.00 18.18 C ATOM 1795 CG PRO B 86 90.649 63.111 -60.868 1.00 21.26 C ATOM 1796 CD PRO B 86 90.859 63.198 -59.388 1.00 19.33 C ATOM 1797 N TYR B 87 92.954 66.893 -61.423 1.00 15.49 N ATOM 1798 CA TYR B 87 92.679 68.280 -61.800 1.00 17.02 C ATOM 1799 C TYR B 87 91.558 68.273 -62.811 1.00 15.06 C ATOM 1800 O TYR B 87 91.595 67.470 -63.781 1.00 15.43 O ATOM 1801 CB TYR B 87 93.891 68.935 -62.446 1.00 18.81 C ATOM 1802 CG TYR B 87 95.031 69.245 -61.548 1.00 22.98 C ATOM 1803 CD1 TYR B 87 96.072 70.027 -62.001 1.00 25.48 C ATOM 1804 CD2 TYR B 87 95.036 68.842 -60.218 1.00 20.44 C ATOM 1805 CE1 TYR B 87 97.106 70.377 -61.177 1.00 27.54 C ATOM 1806 CE2 TYR B 87 96.100 69.146 -59.397 1.00 21.35 C ATOM 1807 CZ TYR B 87 97.140 69.887 -59.906 1.00 24.31 C ATOM 1808 OH TYR B 87 98.200 70.240 -59.120 1.00 30.68 O ATOM 1809 HH TYR B 87 98.845 70.767 -59.655 1.00 0.00 H ATOM 1810 H TYR B 87 93.849 66.455 -61.722 1.00 0.00 H ATOM 1811 N PRO B 88 90.625 69.234 -62.697 1.00 15.23 N ATOM 1812 CA PRO B 88 89.685 69.445 -63.811 1.00 13.56 C ATOM 1813 C PRO B 88 90.431 69.769 -65.063 1.00 15.15 C ATOM 1814 O PRO B 88 91.511 70.339 -65.008 1.00 13.60 O ATOM 1815 CB PRO B 88 88.866 70.639 -63.355 1.00 14.73 C ATOM 1816 CG PRO B 88 88.902 70.552 -61.872 1.00 14.79 C ATOM 1817 CD PRO B 88 90.241 70.020 -61.513 1.00 14.66 C ATOM 1818 N ILE B 89 89.850 69.408 -66.202 1.00 13.21 N ATOM 1819 CA ILE B 89 90.437 69.742 -67.479 1.00 15.59 C ATOM 1820 C ILE B 89 89.559 70.809 -68.099 1.00 14.61 C ATOM 1821 O ILE B 89 88.366 70.565 -68.312 1.00 20.09 O ATOM 1822 CB ILE B 89 90.437 68.517 -68.427 1.00 17.74 C ATOM 1823 CG1 ILE B 89 91.301 67.392 -67.853 1.00 21.64 C ATOM 1824 CG2 ILE B 89 90.968 68.925 -69.807 1.00 19.23 C ATOM 1825 CD1 ILE B 89 91.033 66.038 -68.496 1.00 25.47 C ATOM 1826 H ILE B 89 88.957 68.876 -66.174 1.00 0.00 H ATOM 1827 N GLU B 90 90.119 71.985 -68.390 1.00 11.26 N ATOM 1828 CA GLU B 90 89.335 73.120 -68.878 1.00 11.76 C ATOM 1829 C GLU B 90 89.783 73.360 -70.299 1.00 10.09 C ATOM 1830 O GLU B 90 90.937 73.631 -70.559 1.00 9.76 O ATOM 1831 CB GLU B 90 89.617 74.399 -68.080 1.00 12.35 C ATOM 1832 CG GLU B 90 89.216 74.367 -66.611 1.00 15.39 C ATOM 1833 CD GLU B 90 87.727 74.473 -66.368 1.00 19.49 C ATOM 1834 OE1 GLU B 90 87.324 74.411 -65.158 1.00 18.31 O ATOM 1835 OE2 GLU B 90 86.927 74.574 -67.352 1.00 19.51 O ATOM 1836 H GLU B 90 91.145 72.098 -68.266 1.00 0.00 H ATOM 1837 N VAL B 91 88.821 73.345 -71.218 1.00 10.08 N ATOM 1838 CA VAL B 91 89.136 73.415 -72.640 1.00 11.40 C ATOM 1839 C VAL B 91 88.446 74.641 -73.246 1.00 9.97 C ATOM 1840 O VAL B 91 87.238 74.876 -72.996 1.00 10.49 O ATOM 1841 CB VAL B 91 88.625 72.145 -73.333 1.00 10.53 C ATOM 1842 CG1 VAL B 91 88.992 72.218 -74.799 1.00 11.49 C ATOM 1843 CG2 VAL B 91 89.223 70.914 -72.698 1.00 12.50 C ATOM 1844 H VAL B 91 87.827 73.282 -70.917 1.00 0.00 H ATOM 1845 N GLN B 92 89.182 75.463 -73.988 1.00 9.67 N ATOM 1846 CA GLN B 92 88.560 76.570 -74.726 1.00 9.32 C ATOM 1847 C GLN B 92 87.648 76.053 -75.846 1.00 9.51 C ATOM 1848 O GLN B 92 88.075 75.266 -76.696 1.00 10.19 O ATOM 1849 CB GLN B 92 89.579 77.505 -75.304 1.00 11.53 C ATOM 1850 CG GLN B 92 90.330 78.381 -74.281 1.00 10.77 C ATOM 1851 CD GLN B 92 91.119 79.448 -74.963 1.00 11.87 C ATOM 1852 OE1 GLN B 92 92.100 79.159 -75.700 1.00 10.82 O ATOM 1853 NE2 GLN B 92 90.798 80.700 -74.669 1.00 12.75 N ATOM 1854 HE22 GLN B 92 89.981 80.897 -74.057 1.00 0.00 H ATOM 1855 HE21 GLN B 92 91.363 81.485 -75.050 1.00 0.00 H ATOM 1856 H GLN B 92 90.211 75.320 -74.046 1.00 0.00 H ATOM 1857 N VAL B 93 86.441 76.569 -75.846 1.00 8.70 N ATOM 1858 CA VAL B 93 85.404 76.266 -76.856 1.00 9.12 C ATOM 1859 C VAL B 93 84.903 77.594 -77.397 1.00 10.98 C ATOM 1860 O VAL B 93 84.463 78.477 -76.647 1.00 10.20 O ATOM 1861 CB VAL B 93 84.256 75.488 -76.238 1.00 9.26 C ATOM 1862 CG1 VAL B 93 83.219 75.143 -77.309 1.00 10.59 C ATOM 1863 CG2 VAL B 93 84.711 74.187 -75.604 1.00 10.69 C ATOM 1864 H VAL B 93 86.198 77.235 -75.085 1.00 0.00 H ATOM 1865 N GLY B 94 84.953 77.760 -78.718 1.00 9.21 N ATOM 1866 CA GLY B 94 84.467 78.951 -79.340 1.00 11.04 C ATOM 1867 C GLY B 94 82.970 79.105 -79.254 1.00 10.09 C ATOM 1868 O GLY B 94 82.233 78.157 -79.011 1.00 11.23 O ATOM 1869 H GLY B 94 85.355 77.005 -79.310 1.00 0.00 H ATOM 1870 N GLY B 95 82.489 80.279 -79.632 1.00 9.92 N ATOM 1871 CA GLY B 95 81.029 80.513 -79.651 1.00 10.68 C ATOM 1872 C GLY B 95 80.346 79.689 -80.730 1.00 10.01 C ATOM 1873 O GLY B 95 79.301 79.128 -80.517 1.00 10.33 O ATOM 1874 H GLY B 95 83.140 81.039 -79.916 1.00 0.00 H ATOM 1875 N ALA B 96 80.937 79.678 -81.887 1.00 9.21 N ATOM 1876 CA ALA B 96 80.378 78.946 -83.039 1.00 8.08 C ATOM 1877 C ALA B 96 81.414 78.652 -84.088 1.00 9.34 C ATOM 1878 O ALA B 96 82.286 79.483 -84.359 1.00 9.88 O ATOM 1879 CB ALA B 96 79.219 79.717 -83.633 1.00 8.89 C ATOM 1880 H ALA B 96 81.829 80.200 -82.004 1.00 0.00 H ATOM 1881 N THR B 97 81.327 77.439 -84.653 1.00 8.08 N ATOM 1882 CA THR B 97 82.061 77.036 -85.843 1.00 7.35 C ATOM 1883 C THR B 97 81.038 76.928 -86.970 1.00 7.63 C ATOM 1884 O THR B 97 80.084 76.173 -86.836 1.00 8.52 O ATOM 1885 CB THR B 97 82.755 75.725 -85.585 1.00 8.79 C ATOM 1886 OG1 THR B 97 83.712 75.965 -84.520 1.00 11.92 O ATOM 1887 CG2 THR B 97 83.496 75.224 -86.781 1.00 8.66 C ATOM 1888 HG1 THR B 97 83.233 76.277 -83.712 1.00 0.00 H ATOM 1889 H THR B 97 80.694 76.741 -84.212 1.00 0.00 H ATOM 1890 N VAL B 98 81.229 77.741 -88.003 1.00 7.59 N ATOM 1891 CA VAL B 98 80.224 77.918 -89.043 1.00 7.58 C ATOM 1892 C VAL B 98 80.758 77.661 -90.440 1.00 8.43 C ATOM 1893 O VAL B 98 81.717 78.280 -90.856 1.00 8.22 O ATOM 1894 CB VAL B 98 79.563 79.314 -88.941 1.00 8.79 C ATOM 1895 CG1 VAL B 98 78.391 79.439 -89.892 1.00 8.65 C ATOM 1896 CG2 VAL B 98 79.157 79.630 -87.505 1.00 9.32 C ATOM 1897 H VAL B 98 82.123 78.267 -88.072 1.00 0.00 H ATOM 1898 N PHE B 99 80.058 76.793 -91.190 1.00 7.47 N ATOM 1899 CA PHE B 99 80.298 76.550 -92.577 1.00 8.17 C ATOM 1900 C PHE B 99 79.117 77.028 -93.403 1.00 8.60 C ATOM 1901 O PHE B 99 77.982 76.597 -93.160 1.00 8.65 O ATOM 1902 CB PHE B 99 80.546 75.058 -92.845 1.00 8.63 C ATOM 1903 CG PHE B 99 81.642 74.462 -92.010 1.00 8.05 C ATOM 1904 CD1 PHE B 99 82.977 74.546 -92.433 1.00 8.90 C ATOM 1905 CD2 PHE B 99 81.381 73.867 -90.806 1.00 8.41 C ATOM 1906 CE1 PHE B 99 84.014 74.105 -91.620 1.00 9.46 C ATOM 1907 CE2 PHE B 99 82.425 73.391 -89.985 1.00 9.14 C ATOM 1908 CZ PHE B 99 83.724 73.507 -90.406 1.00 9.54 C ATOM 1909 H PHE B 99 79.291 76.263 -90.730 1.00 0.00 H ATOM 1910 N VAL B 100 79.388 77.831 -94.424 1.00 8.17 N ATOM 1911 CA VAL B 100 78.344 78.286 -95.334 1.00 8.51 C ATOM 1912 C VAL B 100 78.536 77.572 -96.660 1.00 10.24 C ATOM 1913 O VAL B 100 79.557 77.743 -97.300 1.00 9.25 O ATOM 1914 CB VAL B 100 78.400 79.815 -95.539 1.00 9.46 C ATOM 1915 CG1 VAL B 100 77.353 80.246 -96.549 1.00 10.48 C ATOM 1916 CG2 VAL B 100 78.328 80.557 -94.201 1.00 10.32 C ATOM 1917 H VAL B 100 80.368 78.143 -94.579 1.00 0.00 H ATOM 1918 N MET B 101 77.542 76.809 -97.091 1.00 9.38 N ATOM 1919 CA MET B 101 77.659 75.922 -98.242 1.00 9.69 C ATOM 1920 C MET B 101 76.761 76.384 -99.403 1.00 9.71 C ATOM 1921 O MET B 101 75.618 76.769 -99.180 1.00 9.06 O ATOM 1922 CB MET B 101 77.254 74.505 -97.827 1.00 10.59 C ATOM 1923 CG MET B 101 77.780 74.080 -96.472 1.00 10.65 C ATOM 1924 SD MET B 101 79.563 74.031 -96.519 1.00 13.28 S ATOM 1925 CE MET B 101 79.781 72.688 -97.676 1.00 14.85 C ATOM 1926 H MET B 101 76.635 76.845 -96.584 1.00 0.00 H ATOM 1927 N PRO B 102 77.229 76.248-100.653 1.00 10.25 N ATOM 1928 CA PRO B 102 76.383 76.574-101.765 1.00 10.61 C ATOM 1929 C PRO B 102 75.267 75.576-102.006 1.00 10.27 C ATOM 1930 O PRO B 102 75.487 74.381-101.899 1.00 15.20 O ATOM 1931 CB PRO B 102 77.367 76.606-102.955 1.00 11.86 C ATOM 1932 CG PRO B 102 78.438 75.714-102.564 1.00 13.13 C ATOM 1933 CD PRO B 102 78.608 75.932-101.080 1.00 10.59 C ATOM 1934 N VAL B 103 74.065 76.077-102.323 1.00 9.99 N ATOM 1935 CA VAL B 103 72.889 75.268-102.657 1.00 9.41 C ATOM 1936 C VAL B 103 72.665 75.330-104.155 1.00 11.15 C ATOM 1937 O VAL B 103 72.617 76.436-104.762 1.00 13.97 O ATOM 1938 CB VAL B 103 71.654 75.810-101.925 1.00 11.39 C ATOM 1939 CG1 VAL B 103 70.368 75.077-102.314 1.00 11.19 C ATOM 1940 CG2 VAL B 103 71.836 75.727-100.427 1.00 11.20 C ATOM 1941 H VAL B 103 73.959 77.112-102.333 1.00 0.00 H ATOM 1942 N GLU B 104 72.535 74.178-104.769 1.00 11.30 N ATOM 1943 CA GLU B 104 72.186 74.130-106.167 1.00 12.82 C ATOM 1944 C GLU B 104 70.721 74.361-106.442 1.00 14.43 C ATOM 1945 O GLU B 104 70.353 75.096-107.373 1.00 15.21 O ATOM 1946 CB GLU B 104 72.632 72.819-106.758 1.00 17.06 C ATOM 1947 CG GLU B 104 72.256 72.679-108.215 1.00 23.65 C ATOM 1948 CD GLU B 104 73.047 71.612-108.868 1.00 30.49 C ATOM 1949 OE1 GLU B 104 74.294 71.654-108.719 1.00 31.02 O ATOM 1950 OE2 GLU B 104 72.418 70.693-109.426 1.00 37.61 O ATOM 1951 H GLU B 104 72.685 73.293-104.244 1.00 0.00 H ATOM 1952 N SER B 105 69.857 73.717-105.681 1.00 11.05 N ATOM 1953 CA SER B 105 68.443 73.943-105.829 1.00 12.42 C ATOM 1954 C SER B 105 67.704 73.706-104.525 1.00 11.38 C ATOM 1955 O SER B 105 68.229 73.063-103.604 1.00 9.97 O ATOM 1956 CB SER B 105 67.862 73.134-106.973 1.00 14.38 C ATOM 1957 OG SER B 105 67.763 71.765-106.660 1.00 15.42 O ATOM 1958 HG SER B 105 67.380 71.278-107.432 1.00 0.00 H ATOM 1959 H SER B 105 70.200 73.041-104.969 1.00 0.00 H ATOM 1960 N PHE B 106 66.537 74.346-104.414 1.00 11.39 N ATOM 1961 CA PHE B 106 65.687 74.277-103.228 1.00 10.35 C ATOM 1962 C PHE B 106 64.298 73.821-103.655 1.00 9.56 C ATOM 1963 O PHE B 106 63.756 74.294-104.694 1.00 11.54 O ATOM 1964 CB PHE B 106 65.591 75.634-102.547 1.00 10.07 C ATOM 1965 CG PHE B 106 64.624 75.681-101.423 1.00 10.16 C ATOM 1966 CD1 PHE B 106 63.341 76.181-101.583 1.00 10.42 C ATOM 1967 CD2 PHE B 106 64.936 75.118-100.232 1.00 10.70 C ATOM 1968 CE1 PHE B 106 62.429 76.182-100.563 1.00 11.69 C ATOM 1969 CE2 PHE B 106 64.028 75.091 -99.196 1.00 11.66 C ATOM 1970 CZ PHE B 106 62.768 75.587 -99.355 1.00 12.04 C ATOM 1971 H PHE B 106 66.216 74.925-105.216 1.00 0.00 H ATOM 1972 N HIS B 107 63.686 72.938-102.871 1.00 10.41 N ATOM 1973 CA HIS B 107 62.287 72.547-103.064 1.00 10.61 C ATOM 1974 C HIS B 107 61.531 72.517-101.762 1.00 10.77 C ATOM 1975 O HIS B 107 62.065 72.130-100.724 1.00 9.44 O ATOM 1976 CB HIS B 107 62.216 71.157-103.735 1.00 12.25 C ATOM 1977 CG HIS B 107 63.075 71.049-104.950 1.00 15.39 C ATOM 1978 ND1 HIS B 107 62.622 71.377-106.207 1.00 20.91 N ATOM 1979 CD2 HIS B 107 64.411 70.870-105.067 1.00 19.86 C ATOM 1980 CE1 HIS B 107 63.620 71.254-107.072 1.00 20.35 C ATOM 1981 NE2 HIS B 107 64.717 70.970-106.401 1.00 21.58 N ATOM 1982 H HIS B 107 64.222 72.508-102.090 1.00 0.00 H ATOM 1983 N HIS B 108 60.280 72.964-101.791 1.00 9.50 N ATOM 1984 CA HIS B 108 59.397 72.858-100.653 1.00 10.02 C ATOM 1985 C HIS B 108 58.134 72.158-101.075 1.00 11.00 C ATOM 1986 O HIS B 108 57.333 72.729-101.838 1.00 14.13 O ATOM 1987 CB HIS B 108 59.085 74.276-100.112 1.00 10.94 C ATOM 1988 CG HIS B 108 58.368 74.322 -98.794 1.00 11.84 C ATOM 1989 ND1 HIS B 108 57.808 75.490 -98.299 1.00 13.55 N ATOM 1990 CD2 HIS B 108 58.263 73.421 -97.795 1.00 11.69 C ATOM 1991 CE1 HIS B 108 57.294 75.271 -97.100 1.00 13.56 C ATOM 1992 NE2 HIS B 108 57.579 74.028 -96.761 1.00 12.68 N ATOM 1993 H HIS B 108 59.925 73.405-102.663 1.00 0.00 H ATOM 1994 N PHE B 109 58.037 70.882-100.753 1.00 11.43 N ATOM 1995 CA PHE B 109 57.005 70.069-101.296 1.00 13.51 C ATOM 1996 C PHE B 109 55.822 70.153-100.347 1.00 15.72 C ATOM 1997 O PHE B 109 55.924 69.847 -99.139 1.00 18.13 O ATOM 1998 CB PHE B 109 57.477 68.611-101.480 1.00 16.03 C ATOM 1999 CG PHE B 109 58.543 68.433-102.522 1.00 15.84 C ATOM 2000 CD1 PHE B 109 58.433 69.021-103.764 1.00 15.13 C ATOM 2001 CD2 PHE B 109 59.642 67.643-102.272 1.00 17.20 C ATOM 2002 CE1 PHE B 109 59.367 68.798-104.754 1.00 15.85 C ATOM 2003 CE2 PHE B 109 60.618 67.473-103.219 1.00 16.38 C ATOM 2004 CZ PHE B 109 60.478 68.041-104.471 1.00 16.80 C ATOM 2005 H PHE B 109 58.725 70.466-100.093 1.00 0.00 H ATOM 2006 N LEU B 110 54.688 70.463-100.931 1.00 19.68 N ATOM 2007 CA LEU B 110 53.486 70.696-100.178 1.00 24.56 C ATOM 2008 C LEU B 110 52.353 69.818-100.689 1.00 24.33 C ATOM 2009 O LEU B 110 51.196 70.235-100.630 1.00 29.82 O ATOM 2010 CB LEU B 110 53.101 72.155-100.279 1.00 21.98 C ATOM 2011 CG LEU B 110 54.208 73.181-100.025 1.00 26.56 C ATOM 2012 CD1 LEU B 110 53.745 74.602-100.263 1.00 29.56 C ATOM 2013 CD2 LEU B 110 54.769 73.038 -98.619 1.00 25.32 C ATOM 2014 H LEU B 110 54.658 70.542-101.968 1.00 0.00 H ATOM 2015 N GLU B 111 52.658 68.598-101.129 1.00 20.79 N ATOM 2016 CA GLU B 111 51.590 67.709-101.624 1.00 21.07 C ATOM 2017 C GLU B 111 50.812 67.100-100.468 1.00 18.01 C ATOM 2018 O GLU B 111 51.336 66.921 -99.362 1.00 12.98 O ATOM 2019 CB GLU B 111 52.142 66.602-102.530 1.00 24.05 C ATOM 2020 CG GLU B 111 52.772 67.106-103.816 1.00 24.55 C ATOM 2021 CD GLU B 111 51.900 68.098-104.571 1.00 28.14 C ATOM 2022 OE1 GLU B 111 52.347 69.242-104.792 1.00 29.89 O ATOM 2023 OE2 GLU B 111 50.770 67.736-104.955 1.00 31.23 O ATOM 2024 H GLU B 111 53.646 68.273-101.123 1.00 0.00 H ATOM 2025 N HIS B 112 49.533 66.841-100.725 1.00 17.62 N ATOM 2026 CA HIS B 112 48.646 66.256 -99.740 1.00 16.84 C ATOM 2027 C HIS B 112 48.179 64.891-100.221 1.00 20.16 C ATOM 2028 O HIS B 112 48.798 64.318-101.125 1.00 20.15 O ATOM 2029 CB HIS B 112 47.437 67.185 -99.518 1.00 16.16 C ATOM 2030 CG HIS B 112 47.787 68.500 -98.888 1.00 16.69 C ATOM 2031 ND1 HIS B 112 47.598 68.772 -97.545 1.00 15.78 N ATOM 2032 CD2 HIS B 112 48.264 69.640 -99.436 1.00 15.83 C ATOM 2033 CE1 HIS B 112 47.937 70.023 -97.299 1.00 13.16 C ATOM 2034 NE2 HIS B 112 48.365 70.565 -98.428 1.00 17.95 N ATOM 2035 H HIS B 112 49.156 67.067-101.668 1.00 0.00 H TER 2036 HIS B 112 ATOM 2037 N MET C 1 88.179 76.116 -98.287 1.00 15.56 N ATOM 2038 CA MET C 1 87.731 75.072 -97.312 1.00 15.74 C ATOM 2039 C MET C 1 86.758 74.121 -98.006 1.00 12.32 C ATOM 2040 O MET C 1 86.026 74.499 -98.942 1.00 11.57 O ATOM 2041 CB MET C 1 87.032 75.770 -96.136 1.00 18.40 C ATOM 2042 CG MET C 1 86.789 74.913 -94.889 1.00 26.29 C ATOM 2043 SD MET C 1 88.091 74.935 -93.622 1.00 41.96 S ATOM 2044 CE MET C 1 88.944 76.443 -94.048 1.00 39.30 C ATOM 2045 HN3 MET C 1 87.353 76.648 -98.627 1.00 0.00 H ATOM 2046 HN2 MET C 1 88.652 75.657 -99.091 1.00 0.00 H ATOM 2047 HN1 MET C 1 88.842 76.765 -97.817 1.00 0.00 H ATOM 2048 N LYS C 2 86.757 72.889 -97.513 1.00 10.81 N ATOM 2049 CA LYS C 2 85.770 71.901 -97.912 1.00 9.23 C ATOM 2050 C LYS C 2 85.136 71.303 -96.667 1.00 7.76 C ATOM 2051 O LYS C 2 85.704 71.373 -95.562 1.00 8.41 O ATOM 2052 CB LYS C 2 86.424 70.760 -98.703 1.00 11.28 C ATOM 2053 CG LYS C 2 87.278 71.262 -99.857 1.00 13.86 C ATOM 2054 CD LYS C 2 86.444 71.865-100.932 1.00 16.10 C ATOM 2055 CE LYS C 2 87.390 72.579-101.927 1.00 20.89 C ATOM 2056 NZ LYS C 2 86.679 73.476-102.833 1.00 23.48 N ATOM 2057 HZ1 LYS C 2 85.986 72.931-103.385 1.00 0.00 H ATOM 2058 HZ2 LYS C 2 86.186 74.206-102.280 1.00 0.00 H ATOM 2059 HZ3 LYS C 2 87.360 73.927-103.477 1.00 0.00 H ATOM 2060 H LYS C 2 87.485 72.623 -96.820 1.00 0.00 H ATOM 2061 N LEU C 3 83.950 70.728 -96.852 1.00 8.17 N ATOM 2062 CA LEU C 3 83.222 70.068 -95.766 1.00 8.36 C ATOM 2063 C LEU C 3 82.970 68.651 -96.132 1.00 8.88 C ATOM 2064 O LEU C 3 82.350 68.381 -97.147 1.00 9.19 O ATOM 2065 CB LEU C 3 81.892 70.790 -95.438 1.00 8.40 C ATOM 2066 CG LEU C 3 81.191 70.397 -94.136 1.00 9.98 C ATOM 2067 CD1 LEU C 3 82.068 70.666 -92.917 1.00 9.16 C ATOM 2068 CD2 LEU C 3 79.922 71.216 -93.994 1.00 10.18 C ATOM 2069 H LEU C 3 83.525 70.748 -97.801 1.00 0.00 H ATOM 2070 N ILE C 4 83.574 67.731 -95.380 1.00 7.48 N ATOM 2071 CA ILE C 4 83.502 66.306 -95.657 1.00 8.03 C ATOM 2072 C ILE C 4 82.377 65.726 -94.767 1.00 8.23 C ATOM 2073 O ILE C 4 82.429 65.826 -93.538 1.00 9.35 O ATOM 2074 CB ILE C 4 84.873 65.657 -95.324 1.00 9.58 C ATOM 2075 CG1 ILE C 4 85.992 66.344 -96.077 1.00 10.90 C ATOM 2076 CG2 ILE C 4 84.866 64.153 -95.614 1.00 11.36 C ATOM 2077 CD1 ILE C 4 87.353 65.859 -95.699 1.00 11.58 C ATOM 2078 H ILE C 4 84.123 68.048 -94.556 1.00 0.00 H ATOM 2079 N PHE C 5 81.474 64.990 -95.410 1.00 8.18 N ATOM 2080 CA PHE C 5 80.473 64.138 -94.754 1.00 9.00 C ATOM 2081 C PHE C 5 80.911 62.711 -94.928 1.00 9.53 C ATOM 2082 O PHE C 5 81.004 62.221 -96.046 1.00 9.19 O ATOM 2083 CB PHE C 5 79.119 64.361 -95.370 1.00 10.63 C ATOM 2084 CG PHE C 5 78.538 65.715 -95.063 1.00 11.73 C ATOM 2085 CD1 PHE C 5 77.562 65.878 -94.116 1.00 13.41 C ATOM 2086 CD2 PHE C 5 78.929 66.838 -95.801 1.00 12.59 C ATOM 2087 CE1 PHE C 5 77.098 67.170 -93.812 1.00 13.85 C ATOM 2088 CE2 PHE C 5 78.501 68.103 -95.451 1.00 14.51 C ATOM 2089 CZ PHE C 5 77.521 68.248 -94.517 1.00 14.82 C ATOM 2090 H PHE C 5 81.477 65.020 -96.450 1.00 0.00 H ATOM 2091 N ALA C 6 81.191 62.020 -93.821 1.00 8.57 N ATOM 2092 CA ALA C 6 81.674 60.634 -93.898 1.00 8.46 C ATOM 2093 C ALA C 6 80.800 59.748 -93.020 1.00 9.43 C ATOM 2094 O ALA C 6 80.730 59.951 -91.805 1.00 10.25 O ATOM 2095 CB ALA C 6 83.116 60.500 -93.503 1.00 9.43 C ATOM 2096 H ALA C 6 81.066 62.468 -92.891 1.00 0.00 H ATOM 2097 N ILE C 7 80.142 58.773 -93.639 1.00 8.34 N ATOM 2098 CA ILE C 7 79.261 57.895 -92.937 1.00 9.08 C ATOM 2099 C ILE C 7 80.054 56.637 -92.626 1.00 8.95 C ATOM 2100 O ILE C 7 80.510 55.920 -93.556 1.00 8.47 O ATOM 2101 CB ILE C 7 77.998 57.570 -93.747 1.00 9.87 C ATOM 2102 CG1 ILE C 7 77.230 58.878 -94.034 1.00 14.54 C ATOM 2103 CG2 ILE C 7 77.112 56.648 -92.976 1.00 10.77 C ATOM 2104 CD1 ILE C 7 76.951 59.144 -95.465 1.00 15.03 C ATOM 2105 H ILE C 7 80.272 58.646 -94.663 1.00 0.00 H ATOM 2106 N VAL C 8 80.226 56.364 -91.327 1.00 9.31 N ATOM 2107 CA VAL C 8 81.089 55.284 -90.843 1.00 10.16 C ATOM 2108 C VAL C 8 80.370 54.434 -89.838 1.00 11.50 C ATOM 2109 O VAL C 8 79.303 54.780 -89.357 1.00 12.50 O ATOM 2110 CB VAL C 8 82.376 55.833 -90.221 1.00 11.74 C ATOM 2111 CG1 VAL C 8 82.977 56.868 -91.135 1.00 11.19 C ATOM 2112 CG2 VAL C 8 82.107 56.428 -88.861 1.00 13.60 C ATOM 2113 H VAL C 8 79.723 56.947 -90.628 1.00 0.00 H ATOM 2114 N GLN C 9 80.871 53.228 -89.641 1.00 10.41 N ATOM 2115 CA GLN C 9 80.247 52.353 -88.652 1.00 11.76 C ATOM 2116 C GLN C 9 80.539 52.768 -87.215 1.00 11.22 C ATOM 2117 O GLN C 9 81.610 53.323 -86.897 1.00 12.91 O ATOM 2118 CB GLN C 9 80.742 50.946 -88.899 1.00 12.23 C ATOM 2119 CG GLN C 9 80.459 50.441 -90.282 1.00 13.24 C ATOM 2120 CD GLN C 9 81.340 49.284 -90.664 1.00 14.23 C ATOM 2121 OE1 GLN C 9 82.081 49.316 -91.644 1.00 17.96 O ATOM 2122 NE2 GLN C 9 81.271 48.239 -89.867 1.00 17.42 N ATOM 2123 HE22 GLN C 9 80.631 48.251 -89.047 1.00 0.00 H ATOM 2124 HE21 GLN C 9 81.857 47.401 -90.057 1.00 0.00 H ATOM 2125 H GLN C 9 81.698 52.906 -90.183 1.00 0.00 H ATOM 2126 N ASP C 10 79.599 52.488 -86.317 1.00 10.95 N ATOM 2127 CA ASP C 10 79.757 52.932 -84.947 1.00 14.36 C ATOM 2128 C ASP C 10 81.062 52.357 -84.327 1.00 15.69 C ATOM 2129 O ASP C 10 81.745 53.027 -83.511 1.00 14.00 O ATOM 2130 CB ASP C 10 78.560 52.472 -84.095 1.00 14.54 C ATOM 2131 CG ASP C 10 77.319 53.299 -84.289 1.00 18.14 C ATOM 2132 OD1 ASP C 10 77.372 54.374 -84.897 1.00 18.19 O ATOM 2133 OD2 ASP C 10 76.252 52.851 -83.776 1.00 23.16 O ATOM 2134 H ASP C 10 78.753 51.952 -86.597 1.00 0.00 H ATOM 2135 N GLN C 11 81.473 51.176 -84.744 1.00 17.15 N ATOM 2136 CA GLN C 11 82.597 50.575 -84.059 1.00 19.26 C ATOM 2137 C GLN C 11 83.939 51.168 -84.448 1.00 18.32 C ATOM 2138 O GLN C 11 84.933 51.011 -83.721 1.00 20.63 O ATOM 2139 CB GLN C 11 82.574 49.079 -84.148 1.00 25.21 C ATOM 2140 CG GLN C 11 82.837 48.502 -85.466 1.00 28.07 C ATOM 2141 CD GLN C 11 82.614 47.009 -85.423 1.00 34.88 C ATOM 2142 OE1 GLN C 11 83.464 46.263 -84.938 1.00 47.62 O ATOM 2143 NE2 GLN C 11 81.435 46.578 -85.843 1.00 36.58 N ATOM 2144 HE22 GLN C 11 80.750 47.248 -86.246 1.00 0.00 H ATOM 2145 HE21 GLN C 11 81.194 45.569 -85.770 1.00 0.00 H ATOM 2146 H GLN C 11 81.006 50.693 -85.538 1.00 0.00 H ATOM 2147 N ASP C 12 83.922 51.969 -85.519 1.00 15.42 N ATOM 2148 CA ASP C 12 85.086 52.773 -85.946 1.00 14.70 C ATOM 2149 C ASP C 12 85.099 54.247 -85.489 1.00 12.33 C ATOM 2150 O ASP C 12 86.103 54.936 -85.699 1.00 15.43 O ATOM 2151 CB ASP C 12 85.183 52.726 -87.470 1.00 15.65 C ATOM 2152 CG ASP C 12 85.571 51.364 -87.969 1.00 19.78 C ATOM 2153 OD1 ASP C 12 86.249 50.624 -87.168 1.00 19.57 O ATOM 2154 OD2 ASP C 12 85.189 51.011 -89.122 1.00 18.31 O ATOM 2155 H ASP C 12 83.047 52.029 -86.078 1.00 0.00 H ATOM 2156 N SER C 13 84.026 54.692 -84.867 1.00 13.37 N ATOM 2157 CA SER C 13 83.806 56.106 -84.588 1.00 14.12 C ATOM 2158 C SER C 13 84.859 56.661 -83.625 1.00 15.87 C ATOM 2159 O SER C 13 85.462 57.695 -83.886 1.00 13.49 O ATOM 2160 CB SER C 13 82.435 56.346 -84.023 1.00 15.43 C ATOM 2161 OG SER C 13 82.291 57.745 -83.652 1.00 21.08 O ATOM 2162 HG SER C 13 82.971 57.976 -82.971 1.00 0.00 H ATOM 2163 H SER C 13 83.306 54.006 -84.562 1.00 0.00 H ATOM 2164 N ASN C 14 85.097 55.978 -82.520 1.00 14.36 N ATOM 2165 CA ASN C 14 86.064 56.495 -81.544 1.00 16.44 C ATOM 2166 C ASN C 14 87.493 56.524 -82.049 1.00 14.12 C ATOM 2167 O ASN C 14 88.206 57.538 -81.895 1.00 15.40 O ATOM 2168 CB ASN C 14 85.989 55.718 -80.231 1.00 15.79 C ATOM 2169 CG ASN C 14 86.759 56.391 -79.116 1.00 22.50 C ATOM 2170 OD1 ASN C 14 86.441 57.533 -78.703 1.00 21.44 O ATOM 2171 ND2 ASN C 14 87.814 55.707 -78.625 1.00 22.65 N ATOM 2172 HD22 ASN C 14 88.041 54.763 -78.998 1.00 0.00 H ATOM 2173 HD21 ASN C 14 88.400 56.124 -77.874 1.00 0.00 H ATOM 2174 H ASN C 14 84.603 55.080 -82.343 1.00 0.00 H ATOM 2175 N ARG C 15 87.880 55.462 -82.745 1.00 13.07 N ATOM 2176 CA ARG C 15 89.185 55.406 -83.360 1.00 14.41 C ATOM 2177 C ARG C 15 89.369 56.520 -84.398 1.00 13.54 C ATOM 2178 O ARG C 15 90.435 57.151 -84.505 1.00 13.72 O ATOM 2179 CB ARG C 15 89.387 54.056 -84.017 1.00 19.51 C ATOM 2180 CG ARG C 15 90.754 53.890 -84.644 1.00 26.37 C ATOM 2181 CD ARG C 15 90.875 52.574 -85.400 1.00 32.63 C ATOM 2182 NE ARG C 15 92.139 52.498 -86.131 1.00 38.85 N ATOM 2183 CZ ARG C 15 92.455 51.528 -86.985 1.00 48.83 C ATOM 2184 NH1 ARG C 15 91.591 50.550 -87.230 1.00 56.43 N ATOM 2185 NH2 ARG C 15 93.635 51.534 -87.595 1.00 51.58 N ATOM 2186 HE ARG C 15 92.837 53.252 -85.973 1.00 0.00 H ATOM 2187 HH12 ARG C 15 91.839 49.792 -87.898 1.00 0.00 H ATOM 2188 HH11 ARG C 15 90.666 50.542 -86.754 1.00 0.00 H ATOM 2189 HH22 ARG C 15 93.879 50.774 -88.262 1.00 0.00 H ATOM 2190 HH21 ARG C 15 94.314 52.298 -87.405 1.00 0.00 H ATOM 2191 H ARG C 15 87.231 54.656 -82.849 1.00 0.00 H ATOM 2192 N LEU C 16 88.357 56.703 -85.247 1.00 11.10 N ATOM 2193 CA LEU C 16 88.402 57.783 -86.224 1.00 11.26 C ATOM 2194 C LEU C 16 88.490 59.152 -85.553 1.00 10.86 C ATOM 2195 O LEU C 16 89.329 59.996 -85.969 1.00 10.65 O ATOM 2196 CB LEU C 16 87.208 57.724 -87.214 1.00 11.49 C ATOM 2197 CG LEU C 16 87.225 58.843 -88.275 1.00 11.55 C ATOM 2198 CD1 LEU C 16 88.536 58.861 -89.065 1.00 12.94 C ATOM 2199 CD2 LEU C 16 86.031 58.679 -89.225 1.00 12.78 C ATOM 2200 H LEU C 16 87.531 56.072 -85.212 1.00 0.00 H ATOM 2201 N SER C 17 87.666 59.395 -84.553 1.00 12.96 N ATOM 2202 CA SER C 17 87.717 60.655 -83.830 1.00 12.55 C ATOM 2203 C SER C 17 89.132 60.885 -83.297 1.00 11.52 C ATOM 2204 O SER C 17 89.703 61.948 -83.467 1.00 10.53 O ATOM 2205 CB SER C 17 86.760 60.725 -82.643 1.00 16.07 C ATOM 2206 OG SER C 17 85.393 60.655 -83.006 1.00 20.21 O ATOM 2207 HG SER C 17 84.833 60.706 -82.191 1.00 0.00 H ATOM 2208 H SER C 17 86.969 58.674 -84.277 1.00 0.00 H ATOM 2209 N ASP C 18 89.707 59.873 -82.674 1.00 11.64 N ATOM 2210 CA ASP C 18 91.056 60.047 -82.149 1.00 12.86 C ATOM 2211 C ASP C 18 92.113 60.295 -83.212 1.00 12.73 C ATOM 2212 O ASP C 18 93.001 61.117 -83.020 1.00 12.11 O ATOM 2213 CB ASP C 18 91.441 58.860 -81.281 1.00 14.44 C ATOM 2214 CG ASP C 18 90.714 58.852 -79.995 1.00 18.78 C ATOM 2215 OD1 ASP C 18 90.106 59.884 -79.616 1.00 21.71 O ATOM 2216 OD2 ASP C 18 90.736 57.811 -79.330 1.00 23.00 O ATOM 2217 H ASP C 18 89.207 58.968 -82.560 1.00 0.00 H ATOM 2218 N ALA C 19 92.025 59.614 -84.346 1.00 11.48 N ATOM 2219 CA ALA C 19 92.980 59.822 -85.444 1.00 10.84 C ATOM 2220 C ALA C 19 92.875 61.167 -86.114 1.00 11.44 C ATOM 2221 O ALA C 19 93.882 61.775 -86.535 1.00 12.50 O ATOM 2222 CB ALA C 19 92.822 58.721 -86.473 1.00 12.58 C ATOM 2223 H ALA C 19 91.262 58.916 -84.462 1.00 0.00 H ATOM 2224 N LEU C 20 91.635 61.667 -86.224 1.00 9.88 N ATOM 2225 CA LEU C 20 91.481 63.004 -86.746 1.00 9.96 C ATOM 2226 C LEU C 20 92.128 64.034 -85.820 1.00 9.89 C ATOM 2227 O LEU C 20 92.811 64.910 -86.270 1.00 9.48 O ATOM 2228 CB LEU C 20 90.007 63.330 -86.992 1.00 9.61 C ATOM 2229 CG LEU C 20 89.415 62.541 -88.177 1.00 10.37 C ATOM 2230 CD1 LEU C 20 87.881 62.616 -88.102 1.00 12.00 C ATOM 2231 CD2 LEU C 20 89.937 63.078 -89.500 1.00 11.40 C ATOM 2232 H LEU C 20 90.806 61.106 -85.941 1.00 0.00 H ATOM 2233 N THR C 21 91.869 63.915 -84.525 1.00 10.16 N ATOM 2234 CA THR C 21 92.488 64.804 -83.523 1.00 10.35 C ATOM 2235 C THR C 21 94.020 64.711 -83.575 1.00 11.81 C ATOM 2236 O THR C 21 94.717 65.742 -83.696 1.00 11.14 O ATOM 2237 CB THR C 21 92.009 64.421 -82.120 1.00 11.95 C ATOM 2238 OG1 THR C 21 90.627 64.730 -82.050 1.00 13.70 O ATOM 2239 CG2 THR C 21 92.774 65.200 -81.023 1.00 11.92 C ATOM 2240 HG1 THR C 21 90.282 64.494 -81.152 1.00 0.00 H ATOM 2241 H THR C 21 91.212 63.175 -84.207 1.00 0.00 H ATOM 2242 N LYS C 22 94.533 63.485 -83.652 1.00 12.30 N ATOM 2243 CA LYS C 22 95.995 63.308 -83.774 1.00 15.76 C ATOM 2244 C LYS C 22 96.545 63.981 -85.031 1.00 14.46 C ATOM 2245 O LYS C 22 97.646 64.569 -85.025 1.00 15.83 O ATOM 2246 CB LYS C 22 96.360 61.829 -83.775 1.00 19.09 C ATOM 2247 CG LYS C 22 97.865 61.631 -83.739 1.00 25.77 C ATOM 2248 CD LYS C 22 98.253 60.201 -83.461 1.00 31.14 C ATOM 2249 CE LYS C 22 99.774 60.079 -83.400 1.00 36.75 C ATOM 2250 NZ LYS C 22 100.145 58.650 -83.550 1.00 43.24 N ATOM 2251 HZ1 LYS C 22 99.715 58.099 -82.780 1.00 0.00 H ATOM 2252 HZ2 LYS C 22 99.799 58.297 -84.465 1.00 0.00 H ATOM 2253 HZ3 LYS C 22 101.180 58.556 -83.510 1.00 0.00 H ATOM 2254 H LYS C 22 93.907 62.655 -83.626 1.00 0.00 H ATOM 2255 N GLY C 23 95.758 63.938 -86.127 1.00 12.66 N ATOM 2256 CA GLY C 23 96.092 64.626 -87.340 1.00 12.80 C ATOM 2257 C GLY C 23 95.786 66.104 -87.455 1.00 10.54 C ATOM 2258 O GLY C 23 95.944 66.674 -88.546 1.00 14.25 O ATOM 2259 H GLY C 23 94.877 63.386 -86.090 1.00 0.00 H ATOM 2260 N ASN C 24 95.346 66.706 -86.355 1.00 10.21 N ATOM 2261 CA ASN C 24 95.050 68.108 -86.271 1.00 11.63 C ATOM 2262 C ASN C 24 93.884 68.533 -87.164 1.00 11.42 C ATOM 2263 O ASN C 24 93.931 69.571 -87.827 1.00 10.55 O ATOM 2264 CB ASN C 24 96.307 68.935 -86.585 1.00 12.99 C ATOM 2265 CG ASN C 24 97.407 68.675 -85.576 1.00 17.88 C ATOM 2266 OD1 ASN C 24 98.514 68.238 -85.915 1.00 19.18 O ATOM 2267 ND2 ASN C 24 97.049 68.764 -84.336 1.00 16.04 N ATOM 2268 HD22 ASN C 24 96.109 69.137 -84.091 1.00 0.00 H ATOM 2269 HD21 ASN C 24 97.701 68.463 -83.584 1.00 0.00 H ATOM 2270 H ASN C 24 95.208 66.126 -85.503 1.00 0.00 H ATOM 2271 N PHE C 25 92.849 67.697 -87.167 1.00 9.94 N ATOM 2272 CA PHE C 25 91.576 68.005 -87.840 1.00 9.61 C ATOM 2273 C PHE C 25 90.485 68.154 -86.801 1.00 10.68 C ATOM 2274 O PHE C 25 90.558 67.547 -85.747 1.00 11.27 O ATOM 2275 CB PHE C 25 91.184 66.851 -88.792 1.00 9.78 C ATOM 2276 CG PHE C 25 92.056 66.738 -89.988 1.00 10.04 C ATOM 2277 CD1 PHE C 25 91.847 67.545 -91.093 1.00 12.19 C ATOM 2278 CD2 PHE C 25 93.132 65.867 -90.005 1.00 11.66 C ATOM 2279 CE1 PHE C 25 92.675 67.466 -92.224 1.00 12.17 C ATOM 2280 CE2 PHE C 25 93.943 65.791 -91.139 1.00 11.69 C ATOM 2281 CZ PHE C 25 93.711 66.588 -92.226 1.00 11.36 C ATOM 2282 H PHE C 25 92.943 66.787 -86.673 1.00 0.00 H ATOM 2283 N GLY C 26 89.536 69.057 -87.052 1.00 10.37 N ATOM 2284 CA GLY C 26 88.342 69.147 -86.219 1.00 10.28 C ATOM 2285 C GLY C 26 87.222 68.304 -86.838 1.00 8.61 C ATOM 2286 O GLY C 26 87.281 67.920 -88.017 1.00 9.78 O ATOM 2287 H GLY C 26 89.649 69.708 -87.855 1.00 0.00 H ATOM 2288 N ALA C 27 86.244 67.929 -86.020 1.00 8.30 N ATOM 2289 CA ALA C 27 85.174 67.077 -86.472 1.00 7.86 C ATOM 2290 C ALA C 27 83.973 67.197 -85.566 1.00 7.99 C ATOM 2291 O ALA C 27 84.134 67.460 -84.389 1.00 8.93 O ATOM 2292 CB ALA C 27 85.613 65.627 -86.482 1.00 9.31 C ATOM 2293 H ALA C 27 86.251 68.257 -85.033 1.00 0.00 H ATOM 2294 N THR C 28 82.800 66.968 -86.132 1.00 8.19 N ATOM 2295 CA THR C 28 81.546 66.879 -85.389 1.00 7.07 C ATOM 2296 C THR C 28 80.861 65.581 -85.804 1.00 8.72 C ATOM 2297 O THR C 28 81.005 65.144 -86.968 1.00 9.02 O ATOM 2298 CB THR C 28 80.659 68.105 -85.676 1.00 9.21 C ATOM 2299 OG1 THR C 28 81.377 69.293 -85.299 1.00 8.26 O ATOM 2300 CG2 THR C 28 79.340 68.036 -84.975 1.00 9.00 C ATOM 2301 HG1 THR C 28 80.815 70.088 -85.480 1.00 0.00 H ATOM 2302 H THR C 28 82.769 66.844 -87.164 1.00 0.00 H ATOM 2303 N LYS C 29 80.190 64.909 -84.864 1.00 8.61 N ATOM 2304 CA LYS C 29 79.564 63.643 -85.168 1.00 10.14 C ATOM 2305 C LYS C 29 78.064 63.654 -84.922 1.00 11.54 C ATOM 2306 O LYS C 29 77.606 64.260 -83.981 1.00 11.23 O ATOM 2307 CB LYS C 29 80.141 62.547 -84.286 1.00 13.56 C ATOM 2308 CG LYS C 29 81.523 62.123 -84.641 1.00 18.05 C ATOM 2309 CD LYS C 29 82.140 61.513 -83.408 1.00 20.73 C ATOM 2310 CE LYS C 29 82.468 62.596 -82.415 1.00 24.99 C ATOM 2311 NZ LYS C 29 83.076 62.003 -81.203 1.00 27.92 N ATOM 2312 HZ1 LYS C 29 82.406 61.334 -80.772 1.00 0.00 H ATOM 2313 HZ2 LYS C 29 83.949 61.501 -81.464 1.00 0.00 H ATOM 2314 HZ3 LYS C 29 83.299 62.758 -80.524 1.00 0.00 H ATOM 2315 H LYS C 29 80.118 65.301 -83.904 1.00 0.00 H ATOM 2316 N LEU C 30 77.340 62.983 -85.816 1.00 11.89 N ATOM 2317 CA LEU C 30 75.874 62.895 -85.830 1.00 15.51 C ATOM 2318 C LEU C 30 75.547 61.406 -85.647 1.00 16.25 C ATOM 2319 O LEU C 30 76.168 60.544 -86.273 1.00 13.42 O ATOM 2320 CB LEU C 30 75.331 63.366 -87.181 1.00 17.48 C ATOM 2321 CG LEU C 30 75.276 64.852 -87.565 1.00 18.60 C ATOM 2322 CD1 LEU C 30 76.581 65.583 -87.386 1.00 20.71 C ATOM 2323 CD2 LEU C 30 74.783 64.999 -88.993 1.00 22.93 C ATOM 2324 H LEU C 30 77.855 62.480 -86.566 1.00 0.00 H ATOM 2325 N ALA C 31 74.628 61.084 -84.738 1.00 15.00 N ATOM 2326 CA ALA C 31 74.190 59.700 -84.603 1.00 14.71 C ATOM 2327 C ALA C 31 73.057 59.460 -85.608 1.00 13.06 C ATOM 2328 O ALA C 31 72.005 60.045 -85.478 1.00 17.31 O ATOM 2329 CB ALA C 31 73.674 59.438 -83.197 1.00 16.52 C ATOM 2330 H ALA C 31 74.223 61.820 -84.125 1.00 0.00 H ATOM 2331 N THR C 32 73.305 58.607 -86.606 1.00 11.20 N ATOM 2332 CA THR C 32 72.456 58.469 -87.737 1.00 9.57 C ATOM 2333 C THR C 32 72.002 57.015 -87.847 1.00 10.48 C ATOM 2334 O THR C 32 72.442 56.150 -87.055 1.00 11.50 O ATOM 2335 CB THR C 32 73.176 58.931 -89.038 1.00 10.24 C ATOM 2336 OG1 THR C 32 74.490 58.388 -89.163 1.00 10.96 O ATOM 2337 CG2 THR C 32 73.315 60.465 -89.035 1.00 11.33 C ATOM 2338 HG1 THR C 32 74.437 57.400 -89.180 1.00 0.00 H ATOM 2339 H THR C 32 74.159 58.016 -86.553 1.00 0.00 H ATOM 2340 N THR C 33 71.168 56.775 -88.856 1.00 10.37 N ATOM 2341 CA THR C 33 70.656 55.438 -89.202 1.00 11.04 C ATOM 2342 C THR C 33 70.816 55.207 -90.712 1.00 10.81 C ATOM 2343 O THR C 33 70.487 56.097 -91.501 1.00 10.94 O ATOM 2344 CB THR C 33 69.163 55.349 -88.870 1.00 12.12 C ATOM 2345 OG1 THR C 33 68.924 55.774 -87.518 1.00 13.38 O ATOM 2346 CG2 THR C 33 68.654 53.908 -89.055 1.00 12.15 C ATOM 2347 HG1 THR C 33 69.223 56.711 -87.410 1.00 0.00 H ATOM 2348 H THR C 33 70.859 57.581 -89.436 1.00 0.00 H ATOM 2349 N GLY C 34 71.249 53.999 -91.119 1.00 10.50 N ATOM 2350 CA GLY C 34 71.323 53.661 -92.527 1.00 10.84 C ATOM 2351 C GLY C 34 69.959 53.232 -93.040 1.00 12.68 C ATOM 2352 O GLY C 34 69.233 52.508 -92.352 1.00 13.74 O ATOM 2353 H GLY C 34 71.536 53.295 -90.410 1.00 0.00 H ATOM 2354 N GLY C 35 69.642 53.596 -94.263 1.00 13.25 N ATOM 2355 CA GLY C 35 68.417 53.220 -94.876 1.00 14.73 C ATOM 2356 C GLY C 35 68.223 51.732 -95.145 1.00 15.80 C ATOM 2357 O GLY C 35 67.130 51.205 -94.944 1.00 16.27 O ATOM 2358 H GLY C 35 70.313 54.181 -94.801 1.00 0.00 H ATOM 2359 N PHE C 36 69.278 51.029 -95.516 1.00 12.84 N ATOM 2360 CA PHE C 36 69.105 49.627 -95.960 1.00 13.34 C ATOM 2361 C PHE C 36 69.020 48.665 -94.775 1.00 14.00 C ATOM 2362 O PHE C 36 68.104 47.833 -94.736 1.00 15.26 O ATOM 2363 CB PHE C 36 70.212 49.215 -96.908 1.00 13.18 C ATOM 2364 CG PHE C 36 69.925 47.926 -97.661 1.00 12.26 C ATOM 2365 CD1 PHE C 36 70.629 46.788 -97.370 1.00 14.03 C ATOM 2366 CD2 PHE C 36 68.919 47.866 -98.598 1.00 14.90 C ATOM 2367 CE1 PHE C 36 70.384 45.605 -98.040 1.00 14.55 C ATOM 2368 CE2 PHE C 36 68.649 46.671 -99.252 1.00 16.70 C ATOM 2369 CZ PHE C 36 69.390 45.544 -98.967 1.00 16.67 C ATOM 2370 H PHE C 36 70.225 51.458 -95.496 1.00 0.00 H ATOM 2371 N LEU C 37 69.957 48.748 -93.844 1.00 12.67 N ATOM 2372 CA LEU C 37 69.952 47.835 -92.674 1.00 14.70 C ATOM 2373 C LEU C 37 69.125 48.402 -91.527 1.00 15.22 C ATOM 2374 O LEU C 37 68.818 47.702 -90.538 1.00 17.38 O ATOM 2375 CB LEU C 37 71.349 47.518 -92.226 1.00 15.20 C ATOM 2376 CG LEU C 37 72.220 46.757 -93.208 1.00 15.23 C ATOM 2377 CD1 LEU C 37 73.625 46.580 -92.649 1.00 16.69 C ATOM 2378 CD2 LEU C 37 71.584 45.420 -93.597 1.00 17.27 C ATOM 2379 H LEU C 37 70.707 49.463 -93.934 1.00 0.00 H ATOM 2380 N LYS C 38 68.755 49.673 -91.634 1.00 15.56 N ATOM 2381 CA LYS C 38 67.978 50.342 -90.592 1.00 16.84 C ATOM 2382 C LYS C 38 68.678 50.258 -89.245 1.00 16.79 C ATOM 2383 O LYS C 38 68.030 50.126 -88.210 1.00 19.33 O ATOM 2384 CB LYS C 38 66.557 49.775 -90.516 1.00 20.21 C ATOM 2385 CG LYS C 38 65.817 49.923 -91.830 1.00 29.19 C ATOM 2386 CD LYS C 38 64.478 49.203 -91.807 1.00 37.74 C ATOM 2387 CE LYS C 38 63.789 49.283 -93.158 1.00 45.23 C ATOM 2388 NZ LYS C 38 63.363 50.676 -93.488 1.00 55.03 N ATOM 2389 HZ1 LYS C 38 62.698 51.015 -92.763 1.00 0.00 H ATOM 2390 HZ2 LYS C 38 64.198 51.296 -93.511 1.00 0.00 H ATOM 2391 HZ3 LYS C 38 62.898 50.684 -94.418 1.00 0.00 H ATOM 2392 H LYS C 38 69.026 50.208 -92.484 1.00 0.00 H ATOM 2393 N ALA C 39 69.990 50.446 -89.241 1.00 15.49 N ATOM 2394 CA ALA C 39 70.778 50.265 -88.020 1.00 14.99 C ATOM 2395 C ALA C 39 71.601 51.528 -87.728 1.00 14.26 C ATOM 2396 O ALA C 39 71.879 52.291 -88.641 1.00 14.04 O ATOM 2397 CB ALA C 39 71.701 49.082 -88.177 1.00 18.13 C ATOM 2398 H ALA C 39 70.468 50.727 -90.121 1.00 0.00 H ATOM 2399 N GLY C 40 72.007 51.726 -86.478 1.00 13.10 N ATOM 2400 CA GLY C 40 72.716 52.945 -86.119 1.00 12.54 C ATOM 2401 C GLY C 40 74.133 52.997 -86.699 1.00 12.70 C ATOM 2402 O GLY C 40 74.816 51.969 -86.830 1.00 14.44 O ATOM 2403 H GLY C 40 71.817 51.006 -85.752 1.00 0.00 H ATOM 2404 N ASN C 41 74.509 54.159 -87.205 1.00 11.66 N ATOM 2405 CA ASN C 41 75.855 54.415 -87.635 1.00 10.63 C ATOM 2406 C ASN C 41 76.203 55.859 -87.256 1.00 10.92 C ATOM 2407 O ASN C 41 75.417 56.502 -86.537 1.00 10.52 O ATOM 2408 CB ASN C 41 76.077 54.096 -89.141 1.00 11.60 C ATOM 2409 CG ASN C 41 75.105 54.799 -90.081 1.00 11.11 C ATOM 2410 OD1 ASN C 41 74.374 55.743 -89.738 1.00 12.02 O ATOM 2411 ND2 ASN C 41 75.092 54.313 -91.316 1.00 12.46 N ATOM 2412 HD22 ASN C 41 75.717 53.522 -91.570 1.00 0.00 H ATOM 2413 HD21 ASN C 41 74.457 54.724 -92.030 1.00 0.00 H ATOM 2414 H ASN C 41 73.803 54.917 -87.295 1.00 0.00 H ATOM 2415 N THR C 42 77.348 56.344 -87.712 1.00 11.54 N ATOM 2416 CA THR C 42 77.835 57.669 -87.307 1.00 11.26 C ATOM 2417 C THR C 42 78.198 58.462 -88.550 1.00 10.13 C ATOM 2418 O THR C 42 78.909 57.968 -89.405 1.00 12.00 O ATOM 2419 CB THR C 42 79.049 57.547 -86.426 1.00 13.69 C ATOM 2420 OG1 THR C 42 78.709 56.752 -85.258 1.00 14.70 O ATOM 2421 CG2 THR C 42 79.519 58.900 -85.964 1.00 16.44 C ATOM 2422 HG1 THR C 42 78.414 55.852 -85.547 1.00 0.00 H ATOM 2423 H THR C 42 77.915 55.774 -88.372 1.00 0.00 H ATOM 2424 N THR C 43 77.719 59.704 -88.615 1.00 9.69 N ATOM 2425 CA THR C 43 78.102 60.582 -89.702 1.00 10.37 C ATOM 2426 C THR C 43 79.025 61.635 -89.160 1.00 10.26 C ATOM 2427 O THR C 43 78.617 62.473 -88.319 1.00 10.99 O ATOM 2428 CB THR C 43 76.851 61.185 -90.386 1.00 10.84 C ATOM 2429 OG1 THR C 43 76.098 60.109 -90.967 1.00 9.54 O ATOM 2430 CG2 THR C 43 77.243 62.172 -91.499 1.00 12.32 C ATOM 2431 HG1 THR C 43 75.827 59.476 -90.256 1.00 0.00 H ATOM 2432 H THR C 43 77.066 60.045 -87.881 1.00 0.00 H ATOM 2433 N PHE C 44 80.226 61.711 -89.709 1.00 7.95 N ATOM 2434 CA PHE C 44 81.160 62.743 -89.326 1.00 7.64 C ATOM 2435 C PHE C 44 81.041 63.894 -90.287 1.00 8.87 C ATOM 2436 O PHE C 44 80.822 63.694 -91.504 1.00 9.90 O ATOM 2437 CB PHE C 44 82.598 62.221 -89.428 1.00 9.32 C ATOM 2438 CG PHE C 44 83.038 61.429 -88.250 1.00 9.34 C ATOM 2439 CD1 PHE C 44 84.046 61.886 -87.445 1.00 11.70 C ATOM 2440 CD2 PHE C 44 82.553 60.163 -88.045 1.00 11.75 C ATOM 2441 CE1 PHE C 44 84.489 61.142 -86.375 1.00 11.26 C ATOM 2442 CE2 PHE C 44 83.001 59.415 -86.958 1.00 11.35 C ATOM 2443 CZ PHE C 44 83.931 59.919 -86.107 1.00 10.80 C ATOM 2444 H PHE C 44 80.503 61.014 -90.430 1.00 0.00 H ATOM 2445 N ILE C 45 81.189 65.097 -89.745 1.00 9.79 N ATOM 2446 CA ILE C 45 81.281 66.301 -90.517 1.00 7.92 C ATOM 2447 C ILE C 45 82.616 66.908 -90.201 1.00 8.68 C ATOM 2448 O ILE C 45 82.927 67.136 -89.030 1.00 8.99 O ATOM 2449 CB ILE C 45 80.184 67.334 -90.164 1.00 9.72 C ATOM 2450 CG1 ILE C 45 78.789 66.755 -90.497 1.00 11.80 C ATOM 2451 CG2 ILE C 45 80.465 68.618 -90.865 1.00 12.39 C ATOM 2452 CD1 ILE C 45 77.652 67.546 -89.852 1.00 14.17 C ATOM 2453 H ILE C 45 81.241 65.169 -88.709 1.00 0.00 H ATOM 2454 N ILE C 46 83.482 66.968 -91.223 1.00 6.64 N ATOM 2455 CA ILE C 46 84.859 67.370 -91.009 1.00 7.16 C ATOM 2456 C ILE C 46 85.231 68.482 -91.957 1.00 7.53 C ATOM 2457 O ILE C 46 85.278 68.287 -93.150 1.00 7.79 O ATOM 2458 CB ILE C 46 85.825 66.200 -91.310 1.00 8.48 C ATOM 2459 CG1 ILE C 46 85.541 64.981 -90.443 1.00 8.61 C ATOM 2460 CG2 ILE C 46 87.284 66.645 -91.214 1.00 9.78 C ATOM 2461 CD1 ILE C 46 85.951 63.673 -91.116 1.00 8.26 C ATOM 2462 H ILE C 46 83.162 66.723 -92.182 1.00 0.00 H ATOM 2463 N GLY C 47 85.371 69.694 -91.448 1.00 7.25 N ATOM 2464 CA GLY C 47 85.729 70.824 -92.304 1.00 7.90 C ATOM 2465 C GLY C 47 87.230 70.989 -92.347 1.00 8.55 C ATOM 2466 O GLY C 47 87.889 70.892 -91.314 1.00 9.72 O ATOM 2467 H GLY C 47 85.225 69.845 -90.429 1.00 0.00 H ATOM 2468 N THR C 48 87.803 71.155 -93.522 1.00 8.27 N ATOM 2469 CA THR C 48 89.232 71.379 -93.538 1.00 8.42 C ATOM 2470 C THR C 48 89.646 72.184 -94.744 1.00 10.02 C ATOM 2471 O THR C 48 88.891 72.393 -95.680 1.00 11.09 O ATOM 2472 CB THR C 48 90.006 70.044 -93.458 1.00 8.30 C ATOM 2473 OG1 THR C 48 91.323 70.271 -92.924 1.00 9.01 O ATOM 2474 CG2 THR C 48 90.069 69.316 -94.866 1.00 8.07 C ATOM 2475 HG1 THR C 48 91.813 70.898 -93.513 1.00 0.00 H ATOM 2476 H THR C 48 87.250 71.126 -94.402 1.00 0.00 H ATOM 2477 N GLU C 49 90.888 72.633 -94.683 1.00 11.51 N ATOM 2478 CA GLU C 49 91.489 73.398 -95.732 1.00 11.30 C ATOM 2479 C GLU C 49 91.575 72.574 -97.053 1.00 10.50 C ATOM 2480 O GLU C 49 91.746 71.381 -97.017 1.00 11.54 O ATOM 2481 CB GLU C 49 92.904 73.791 -95.258 1.00 13.98 C ATOM 2482 CG GLU C 49 92.923 74.703 -94.013 1.00 16.52 C ATOM 2483 CD GLU C 49 92.753 73.980 -92.671 1.00 17.16 C ATOM 2484 OE1 GLU C 49 92.853 72.750 -92.590 1.00 20.00 O ATOM 2485 OE2 GLU C 49 92.472 74.662 -91.653 1.00 21.34 O ATOM 2486 H GLU C 49 91.453 72.421 -93.836 1.00 0.00 H ATOM 2487 N ASP C 50 91.412 73.240 -98.198 1.00 13.06 N ATOM 2488 CA ASP C 50 91.444 72.567 -99.468 1.00 13.96 C ATOM 2489 C ASP C 50 92.636 71.613 -99.590 1.00 13.41 C ATOM 2490 O ASP C 50 92.498 70.465 -99.996 1.00 14.04 O ATOM 2491 CB ASP C 50 91.520 73.594-100.607 1.00 16.95 C ATOM 2492 CG ASP C 50 90.279 74.384-100.756 1.00 22.56 C ATOM 2493 OD1 ASP C 50 89.373 74.246 -99.912 1.00 24.61 O ATOM 2494 OD2 ASP C 50 90.206 75.186-101.694 1.00 24.48 O ATOM 2495 H ASP C 50 91.258 74.268 -98.171 1.00 0.00 H ATOM 2496 N GLU C 51 93.807 72.103 -99.204 1.00 14.89 N ATOM 2497 CA GLU C 51 95.031 71.382 -99.422 1.00 16.61 C ATOM 2498 C GLU C 51 95.166 70.187 -98.474 1.00 16.06 C ATOM 2499 O GLU C 51 96.006 69.294 -98.728 1.00 19.53 O ATOM 2500 CB GLU C 51 96.239 72.333 -99.295 1.00 19.46 C ATOM 2501 CG GLU C 51 96.475 72.966 -97.943 1.00 22.08 C ATOM 2502 CD GLU C 51 95.694 74.268 -97.673 1.00 25.85 C ATOM 2503 OE1 GLU C 51 94.731 74.665 -98.458 1.00 21.44 O ATOM 2504 OE2 GLU C 51 96.011 74.879 -96.606 1.00 27.52 O ATOM 2505 H GLU C 51 93.840 73.030 -98.733 1.00 0.00 H ATOM 2506 N ARG C 52 94.309 70.109 -97.430 1.00 13.63 N ATOM 2507 CA ARG C 52 94.351 68.989 -96.499 1.00 11.36 C ATOM 2508 C ARG C 52 93.249 67.942 -96.680 1.00 11.65 C ATOM 2509 O ARG C 52 93.222 66.951 -95.947 1.00 13.21 O ATOM 2510 CB ARG C 52 94.282 69.479 -95.065 1.00 12.28 C ATOM 2511 CG ARG C 52 95.482 70.337 -94.690 1.00 13.35 C ATOM 2512 CD ARG C 52 95.915 69.989 -93.270 1.00 16.75 C ATOM 2513 NE ARG C 52 94.972 70.618 -92.380 1.00 14.54 N ATOM 2514 CZ ARG C 52 94.673 70.205 -91.145 1.00 13.24 C ATOM 2515 NH1 ARG C 52 93.736 70.863 -90.477 1.00 14.74 N ATOM 2516 NH2 ARG C 52 95.385 69.282 -90.549 1.00 13.16 N ATOM 2517 HE ARG C 52 94.482 71.466 -92.729 1.00 0.00 H ATOM 2518 HH12 ARG C 52 93.480 70.567 -89.514 1.00 0.00 H ATOM 2519 HH11 ARG C 52 93.257 71.675 -90.916 1.00 0.00 H ATOM 2520 HH22 ARG C 52 95.137 68.974 -89.587 1.00 0.00 H ATOM 2521 HH21 ARG C 52 96.199 68.857 -91.037 1.00 0.00 H ATOM 2522 H ARG C 52 93.607 70.863 -97.289 1.00 0.00 H ATOM 2523 N VAL C 53 92.427 68.098 -97.703 1.00 12.50 N ATOM 2524 CA VAL C 53 91.312 67.155 -97.913 1.00 12.67 C ATOM 2525 C VAL C 53 91.795 65.739 -98.131 1.00 14.15 C ATOM 2526 O VAL C 53 91.292 64.794 -97.536 1.00 13.05 O ATOM 2527 CB VAL C 53 90.382 67.599 -99.061 1.00 15.34 C ATOM 2528 CG1 VAL C 53 89.411 66.478 -99.423 1.00 17.09 C ATOM 2529 CG2 VAL C 53 89.642 68.849 -98.624 1.00 16.06 C ATOM 2530 H VAL C 53 92.567 68.889 -98.363 1.00 0.00 H ATOM 2531 N GLU C 54 92.850 65.593 -98.919 1.00 17.41 N ATOM 2532 CA GLU C 54 93.349 64.251 -99.194 1.00 19.78 C ATOM 2533 C GLU C 54 93.994 63.598 -97.985 1.00 15.61 C ATOM 2534 O GLU C 54 93.841 62.393 -97.801 1.00 16.30 O ATOM 2535 CB GLU C 54 94.329 64.269-100.369 1.00 23.34 C ATOM 2536 CG GLU C 54 93.667 64.501-101.733 1.00 29.54 C ATOM 2537 CD GLU C 54 92.564 63.502-102.084 1.00 35.48 C ATOM 2538 OE1 GLU C 54 92.638 62.323-101.660 1.00 46.42 O ATOM 2539 OE2 GLU C 54 91.629 63.880-102.828 1.00 44.24 O ATOM 2540 H GLU C 54 93.316 66.424 -99.336 1.00 0.00 H ATOM 2541 N ASP C 55 94.590 64.394 -97.094 1.00 13.79 N ATOM 2542 CA ASP C 55 95.091 63.909 -95.830 1.00 14.40 C ATOM 2543 C ASP C 55 93.963 63.474 -94.875 1.00 13.06 C ATOM 2544 O ASP C 55 94.077 62.454 -94.202 1.00 14.56 O ATOM 2545 CB ASP C 55 95.934 64.992 -95.182 1.00 16.27 C ATOM 2546 CG ASP C 55 96.999 65.513 -96.108 1.00 17.73 C ATOM 2547 OD1 ASP C 55 97.559 64.685 -96.850 1.00 19.88 O ATOM 2548 OD2 ASP C 55 97.157 66.754 -96.218 1.00 17.79 O ATOM 2549 H ASP C 55 94.698 65.404 -97.320 1.00 0.00 H ATOM 2550 N ALA C 56 92.847 64.207 -94.858 1.00 11.80 N ATOM 2551 CA ALA C 56 91.726 63.779 -94.046 1.00 10.99 C ATOM 2552 C ALA C 56 91.137 62.466 -94.589 1.00 10.76 C ATOM 2553 O ALA C 56 90.775 61.592 -93.826 1.00 11.29 O ATOM 2554 CB ALA C 56 90.658 64.890 -93.964 1.00 12.28 C ATOM 2555 H ALA C 56 92.783 65.078 -95.423 1.00 0.00 H ATOM 2556 N LEU C 57 90.972 62.388 -95.893 1.00 11.33 N ATOM 2557 CA LEU C 57 90.478 61.160 -96.573 1.00 12.06 C ATOM 2558 C LEU C 57 91.375 59.969 -96.273 1.00 13.40 C ATOM 2559 O LEU C 57 90.860 58.905 -95.983 1.00 15.17 O ATOM 2560 CB LEU C 57 90.386 61.373 -98.072 1.00 14.05 C ATOM 2561 CG LEU C 57 89.336 62.403 -98.513 1.00 14.32 C ATOM 2562 CD1 LEU C 57 89.386 62.707-100.016 1.00 17.07 C ATOM 2563 CD2 LEU C 57 87.951 61.969 -98.101 1.00 14.69 C ATOM 2564 H LEU C 57 91.197 63.221 -96.473 1.00 0.00 H ATOM 2565 N ALA C 58 92.683 60.194 -96.195 1.00 13.40 N ATOM 2566 CA ALA C 58 93.635 59.131 -95.840 1.00 14.85 C ATOM 2567 C ALA C 58 93.427 58.617 -94.429 1.00 14.03 C ATOM 2568 O ALA C 58 93.491 57.409 -94.165 1.00 15.67 O ATOM 2569 CB ALA C 58 95.068 59.631 -96.028 1.00 16.04 C ATOM 2570 H ALA C 58 93.043 61.150 -96.391 1.00 0.00 H ATOM 2571 N ILE C 59 93.192 59.531 -93.503 1.00 13.62 N ATOM 2572 CA ILE C 59 92.936 59.169 -92.143 1.00 13.05 C ATOM 2573 C ILE C 59 91.630 58.374 -92.072 1.00 12.21 C ATOM 2574 O ILE C 59 91.524 57.378 -91.360 1.00 13.63 O ATOM 2575 CB ILE C 59 92.927 60.408 -91.229 1.00 15.13 C ATOM 2576 CG1 ILE C 59 94.358 60.967 -91.091 1.00 15.66 C ATOM 2577 CG2 ILE C 59 92.319 60.071 -89.901 1.00 14.37 C ATOM 2578 CD1 ILE C 59 94.415 62.261 -90.315 1.00 17.78 C ATOM 2579 H ILE C 59 93.193 60.536 -93.770 1.00 0.00 H ATOM 2580 N ILE C 60 90.605 58.802 -92.806 1.00 12.13 N ATOM 2581 CA ILE C 60 89.344 58.091 -92.812 1.00 12.19 C ATOM 2582 C ILE C 60 89.548 56.658 -93.367 1.00 13.17 C ATOM 2583 O ILE C 60 89.076 55.673 -92.778 1.00 14.56 O ATOM 2584 CB ILE C 60 88.280 58.820 -93.643 1.00 13.17 C ATOM 2585 CG1 ILE C 60 87.881 60.152 -92.963 1.00 13.55 C ATOM 2586 CG2 ILE C 60 87.034 57.983 -93.755 1.00 13.88 C ATOM 2587 CD1 ILE C 60 87.170 61.122 -93.880 1.00 12.86 C ATOM 2588 H ILE C 60 90.712 59.660 -93.384 1.00 0.00 H ATOM 2589 N LYS C 61 90.250 56.575 -94.471 1.00 14.13 N ATOM 2590 CA LYS C 61 90.426 55.293 -95.171 1.00 16.05 C ATOM 2591 C LYS C 61 91.217 54.334 -94.264 1.00 17.07 C ATOM 2592 O LYS C 61 90.896 53.148 -94.180 1.00 19.31 O ATOM 2593 CB LYS C 61 91.151 55.516 -96.483 1.00 15.79 C ATOM 2594 CG LYS C 61 91.330 54.258 -97.327 1.00 18.83 C ATOM 2595 CD LYS C 61 92.019 54.575 -98.655 1.00 21.51 C ATOM 2596 CE LYS C 61 92.150 53.316 -99.505 1.00 28.19 C ATOM 2597 NZ LYS C 61 93.043 53.516-100.682 1.00 30.47 N ATOM 2598 HZ1 LYS C 61 92.658 54.272-101.283 1.00 0.00 H ATOM 2599 HZ2 LYS C 61 93.993 53.783-100.353 1.00 0.00 H ATOM 2600 HZ3 LYS C 61 93.099 52.632-101.227 1.00 0.00 H ATOM 2601 H LYS C 61 90.691 57.433 -94.860 1.00 0.00 H ATOM 2602 N GLU C 62 92.181 54.887 -93.553 1.00 17.42 N ATOM 2603 CA GLU C 62 93.100 54.112 -92.710 1.00 22.40 C ATOM 2604 C GLU C 62 92.449 53.608 -91.420 1.00 20.57 C ATOM 2605 O GLU C 62 92.873 52.584 -90.865 1.00 24.34 O ATOM 2606 CB GLU C 62 94.346 54.954 -92.393 1.00 26.17 C ATOM 2607 CG GLU C 62 95.657 54.220 -92.629 1.00 47.02 C ATOM 2608 CD GLU C 62 96.078 53.353 -91.446 1.00 50.22 C ATOM 2609 OE1 GLU C 62 96.036 53.840 -90.294 1.00 62.94 O ATOM 2610 OE2 GLU C 62 96.481 52.189 -91.668 1.00 56.87 O ATOM 2611 H GLU C 62 92.295 55.920 -93.591 1.00 0.00 H ATOM 2612 N ASN C 63 91.411 54.294 -90.955 1.00 15.80 N ATOM 2613 CA ASN C 63 90.856 54.038 -89.647 1.00 16.93 C ATOM 2614 C ASN C 63 89.460 53.424 -89.657 1.00 18.35 C ATOM 2615 O ASN C 63 88.881 53.155 -88.606 1.00 20.21 O ATOM 2616 CB ASN C 63 90.921 55.293 -88.784 1.00 15.89 C ATOM 2617 CG ASN C 63 92.343 55.617 -88.377 1.00 17.24 C ATOM 2618 OD1 ASN C 63 92.843 55.059 -87.403 1.00 21.93 O ATOM 2619 ND2 ASN C 63 93.009 56.480 -89.121 1.00 15.55 N ATOM 2620 HD22 ASN C 63 92.546 56.929 -89.937 1.00 0.00 H ATOM 2621 HD21 ASN C 63 93.997 56.711 -88.891 1.00 0.00 H ATOM 2622 H ASN C 63 90.987 55.035 -91.549 1.00 0.00 H ATOM 2623 N CYS C 64 88.947 53.168 -90.847 1.00 16.05 N ATOM 2624 CA CYS C 64 87.593 52.651 -91.000 1.00 17.88 C ATOM 2625 C CYS C 64 87.658 51.388 -91.841 1.00 22.86 C ATOM 2626 O CYS C 64 88.163 51.435 -92.959 1.00 38.16 O ATOM 2627 CB CYS C 64 86.725 53.669 -91.721 1.00 15.90 C ATOM 2628 SG CYS C 64 86.434 55.168 -90.740 1.00 18.11 S ATOM 2629 H CYS C 64 89.523 53.340 -91.695 1.00 0.00 H ATOM 2630 N LYS C 65 86.986 50.327 -91.396 1.00 17.90 N ATOM 2631 CA LYS C 65 87.165 49.038 -92.017 1.00 18.31 C ATOM 2632 C LYS C 65 85.869 48.544 -92.588 1.00 14.07 C ATOM 2633 O LYS C 65 84.825 48.653 -91.923 1.00 14.99 O ATOM 2634 CB LYS C 65 87.635 48.023 -90.950 1.00 23.40 C ATOM 2635 CG LYS C 65 89.018 48.315 -90.389 1.00 32.94 C ATOM 2636 CD LYS C 65 90.094 48.118 -91.453 1.00 42.16 C ATOM 2637 CE LYS C 65 91.381 47.573 -90.846 1.00 48.67 C ATOM 2638 NZ LYS C 65 91.988 48.531 -89.884 1.00 54.44 N ATOM 2639 HZ1 LYS C 65 92.210 49.420 -90.375 1.00 0.00 H ATOM 2640 HZ2 LYS C 65 91.316 48.718 -89.112 1.00 0.00 H ATOM 2641 HZ3 LYS C 65 92.861 48.122 -89.494 1.00 0.00 H ATOM 2642 H LYS C 65 86.329 50.429 -90.596 1.00 0.00 H ATOM 2643 N ALA C 66 85.916 47.955 -93.769 1.00 14.13 N ATOM 2644 CA ALA C 66 84.724 47.279 -94.321 1.00 15.69 C ATOM 2645 C ALA C 66 84.428 46.014 -93.505 1.00 17.64 C ATOM 2646 O ALA C 66 85.375 45.298 -93.096 1.00 17.83 O ATOM 2647 CB ALA C 66 84.955 46.925 -95.768 1.00 14.66 C ATOM 2648 H ALA C 66 86.801 47.967 -94.316 1.00 0.00 H ATOM 2649 N ARG C 67 83.153 45.810 -93.135 1.00 16.45 N ATOM 2650 CA ARG C 67 82.712 44.615 -92.380 1.00 16.75 C ATOM 2651 C ARG C 67 81.483 43.994 -93.007 1.00 16.67 C ATOM 2652 O ARG C 67 80.650 44.677 -93.553 1.00 17.53 O ATOM 2653 CB ARG C 67 82.376 44.955 -90.946 1.00 16.93 C ATOM 2654 CG ARG C 67 83.616 45.203 -90.089 1.00 20.31 C ATOM 2655 CD ARG C 67 83.225 45.654 -88.713 1.00 19.54 C ATOM 2656 NE ARG C 67 84.370 46.159 -87.984 1.00 23.87 N ATOM 2657 CZ ARG C 67 84.791 47.417 -88.023 1.00 21.91 C ATOM 2658 NH1 ARG C 67 84.090 48.327 -88.691 1.00 21.44 N ATOM 2659 NH2 ARG C 67 85.900 47.767 -87.374 1.00 24.87 N ATOM 2660 HE ARG C 67 84.899 45.490 -87.389 1.00 0.00 H ATOM 2661 HH12 ARG C 67 84.417 49.314 -88.724 1.00 0.00 H ATOM 2662 HH11 ARG C 67 83.215 48.052 -89.181 1.00 0.00 H ATOM 2663 HH22 ARG C 67 86.231 48.753 -87.404 1.00 0.00 H ATOM 2664 HH21 ARG C 67 86.435 47.055 -86.837 1.00 0.00 H ATOM 2665 H ARG C 67 82.442 46.525 -93.391 1.00 0.00 H ATOM 2666 N GLU C 68 81.378 42.671 -92.945 1.00 16.48 N ATOM 2667 CA GLU C 68 80.167 42.012 -93.311 1.00 15.29 C ATOM 2668 C GLU C 68 79.160 42.063 -92.187 1.00 17.00 C ATOM 2669 O GLU C 68 79.486 41.801 -90.984 1.00 18.32 O ATOM 2670 CB GLU C 68 80.483 40.551 -93.661 1.00 18.69 C ATOM 2671 CG GLU C 68 80.920 40.317 -95.094 1.00 24.98 C ATOM 2672 CD GLU C 68 82.255 40.936 -95.497 1.00 29.86 C ATOM 2673 OE1 GLU C 68 82.444 41.132 -96.711 1.00 45.84 O ATOM 2674 OE2 GLU C 68 83.133 41.206 -94.637 1.00 35.77 O ATOM 2675 H GLU C 68 82.191 42.107 -92.625 1.00 0.00 H ATOM 2676 N GLN C 69 77.929 42.411 -92.551 1.00 13.78 N ATOM 2677 CA GLN C 69 76.802 42.384 -91.650 1.00 14.63 C ATOM 2678 C GLN C 69 75.642 41.574 -92.196 1.00 15.51 C ATOM 2679 O GLN C 69 75.419 41.531 -93.385 1.00 17.20 O ATOM 2680 CB GLN C 69 76.310 43.818 -91.331 1.00 18.79 C ATOM 2681 CG GLN C 69 77.400 44.758 -90.785 1.00 25.25 C ATOM 2682 CD GLN C 69 77.929 44.400 -89.381 1.00 35.46 C ATOM 2683 OE1 GLN C 69 78.909 44.993 -88.912 1.00 45.68 O ATOM 2684 NE2 GLN C 69 77.309 43.422 -88.727 1.00 43.88 N ATOM 2685 HE22 GLN C 69 76.488 42.948 -89.156 1.00 0.00 H ATOM 2686 HE21 GLN C 69 77.645 43.131 -87.787 1.00 0.00 H ATOM 2687 H GLN C 69 77.771 42.717 -93.532 1.00 0.00 H ATOM 2688 N MET C 70 75.023 40.798 -91.323 1.00 16.26 N ATOM 2689 CA MET C 70 74.003 39.848 -91.707 1.00 19.69 C ATOM 2690 C MET C 70 72.672 40.567 -91.913 1.00 25.53 C ATOM 2691 O MET C 70 72.344 41.531 -91.199 1.00 24.47 O ATOM 2692 CB MET C 70 73.863 38.785 -90.609 1.00 23.31 C ATOM 2693 CG MET C 70 73.934 37.358 -91.111 1.00 34.05 C ATOM 2694 SD MET C 70 73.504 36.223 -89.785 1.00 43.07 S ATOM 2695 CE MET C 70 71.746 36.501 -89.626 1.00 45.16 C ATOM 2696 H MET C 70 75.280 40.874 -90.318 1.00 0.00 H ATOM 2697 N MET C 71 71.966 40.184 -92.971 1.00 22.71 N ATOM 2698 CA MET C 71 70.548 40.516 -93.082 1.00 28.34 C ATOM 2699 C MET C 71 69.742 39.857 -91.973 1.00 30.61 C ATOM 2700 O MET C 71 69.936 38.672 -91.644 1.00 28.73 O ATOM 2701 CB MET C 71 70.019 40.030 -94.411 1.00 28.82 C ATOM 2702 CG MET C 71 70.642 40.727 -95.593 1.00 27.70 C ATOM 2703 SD MET C 71 70.399 42.516 -95.498 1.00 34.64 S ATOM 2704 CE MET C 71 68.787 42.720 -96.217 1.00 28.98 C ATOM 2705 H MET C 71 72.428 39.642 -93.729 1.00 0.00 H ATOM 2706 N THR C 72 68.794 40.611 -91.420 1.00 30.77 N ATOM 2707 CA THR C 72 67.852 40.040 -90.463 1.00 44.76 C ATOM 2708 C THR C 72 66.451 40.463 -90.867 1.00 42.58 C ATOM 2709 O THR C 72 66.288 41.179 -91.851 1.00 41.96 O ATOM 2710 CB THR C 72 68.173 40.462 -89.006 1.00 49.45 C ATOM 2711 OG1 THR C 72 68.703 41.791 -88.987 1.00 51.14 O ATOM 2712 CG2 THR C 72 69.202 39.501 -88.384 1.00 54.25 C ATOM 2713 HG1 THR C 72 68.905 42.051 -88.053 1.00 0.00 H ATOM 2714 H THR C 72 68.724 41.617 -91.673 1.00 0.00 H ATOM 2715 N PRO C 73 65.428 39.940 -90.171 1.00 50.56 N ATOM 2716 CA PRO C 73 64.049 40.212 -90.594 1.00 53.61 C ATOM 2717 C PRO C 73 63.439 41.436 -89.908 1.00 47.92 C ATOM 2718 O PRO C 73 64.127 42.433 -89.698 1.00 48.21 O ATOM 2719 CB PRO C 73 63.310 38.939 -90.178 1.00 55.86 C ATOM 2720 CG PRO C 73 64.046 38.477 -88.966 1.00 56.42 C ATOM 2721 CD PRO C 73 65.496 38.816 -89.216 1.00 52.44 C TER 2722 PRO C 73 ATOM 2723 N THR C 83 59.578 31.119 -90.300 1.00 28.97 N ATOM 2724 CA THR C 83 59.440 29.936 -89.451 1.00 29.83 C ATOM 2725 C THR C 83 60.800 29.273 -89.101 1.00 28.93 C ATOM 2726 O THR C 83 60.825 28.181 -88.517 1.00 31.01 O ATOM 2727 CB THR C 83 58.516 28.887 -90.111 1.00 33.58 C ATOM 2728 OG1 THR C 83 59.009 28.528 -91.426 1.00 31.97 O ATOM 2729 CG2 THR C 83 57.112 29.469 -90.244 1.00 33.41 C ATOM 2730 HG1 THR C 83 58.405 27.857 -91.832 1.00 0.00 H ATOM 2731 HN3 THR C 83 60.037 30.851 -91.194 1.00 0.00 H ATOM 2732 HN2 THR C 83 60.158 31.830 -89.810 1.00 0.00 H ATOM 2733 HN1 THR C 83 58.637 31.514 -90.497 1.00 0.00 H ATOM 2734 N TYR C 84 61.906 29.949 -89.431 1.00 27.72 N ATOM 2735 CA TYR C 84 63.244 29.403 -89.211 1.00 21.86 C ATOM 2736 C TYR C 84 64.285 30.534 -89.315 1.00 21.20 C ATOM 2737 O TYR C 84 63.964 31.611 -89.789 1.00 20.48 O ATOM 2738 CB TYR C 84 63.531 28.264 -90.203 1.00 22.11 C ATOM 2739 CG TYR C 84 63.336 28.614 -91.659 1.00 21.60 C ATOM 2740 CD1 TYR C 84 64.241 29.393 -92.321 1.00 19.80 C ATOM 2741 CD2 TYR C 84 62.202 28.248 -92.332 1.00 23.77 C ATOM 2742 CE1 TYR C 84 64.062 29.757 -93.617 1.00 22.28 C ATOM 2743 CE2 TYR C 84 62.027 28.559 -93.661 1.00 26.47 C ATOM 2744 CZ TYR C 84 62.949 29.349 -94.294 1.00 25.83 C ATOM 2745 OH TYR C 84 62.783 29.732 -95.593 1.00 26.96 O ATOM 2746 HH TYR C 84 63.548 30.295 -95.870 1.00 0.00 H ATOM 2747 H TYR C 84 61.811 30.893 -89.858 1.00 0.00 H ATOM 2748 N VAL C 85 65.488 30.296 -88.782 1.00 16.40 N ATOM 2749 CA VAL C 85 66.681 31.123 -89.027 1.00 15.80 C ATOM 2750 C VAL C 85 67.288 30.632 -90.336 1.00 13.48 C ATOM 2751 O VAL C 85 67.725 29.471 -90.428 1.00 13.64 O ATOM 2752 CB VAL C 85 67.732 30.913 -87.928 1.00 15.31 C ATOM 2753 CG1 VAL C 85 69.004 31.756 -88.158 1.00 15.65 C ATOM 2754 CG2 VAL C 85 67.117 31.158 -86.527 1.00 19.88 C ATOM 2755 H VAL C 85 65.587 29.473 -88.154 1.00 0.00 H ATOM 2756 N PRO C 86 67.315 31.495 -91.339 1.00 12.92 N ATOM 2757 CA PRO C 86 67.718 31.078 -92.675 1.00 12.85 C ATOM 2758 C PRO C 86 69.227 31.026 -92.809 1.00 12.45 C ATOM 2759 O PRO C 86 69.943 31.584 -91.963 1.00 12.91 O ATOM 2760 CB PRO C 86 67.172 32.158 -93.603 1.00 16.74 C ATOM 2761 CG PRO C 86 66.946 33.344 -92.723 1.00 18.03 C ATOM 2762 CD PRO C 86 66.748 32.860 -91.316 1.00 16.10 C ATOM 2763 N TYR C 87 69.677 30.309 -93.823 1.00 11.43 N ATOM 2764 CA TYR C 87 71.084 30.374 -94.216 1.00 12.17 C ATOM 2765 C TYR C 87 71.455 31.862 -94.238 1.00 11.94 C ATOM 2766 O TYR C 87 70.754 32.675 -94.879 1.00 12.30 O ATOM 2767 CB TYR C 87 71.307 29.809 -95.616 1.00 12.84 C ATOM 2768 CG TYR C 87 70.821 28.407 -95.837 1.00 11.55 C ATOM 2769 CD1 TYR C 87 71.421 27.316 -95.200 1.00 11.07 C ATOM 2770 CD2 TYR C 87 69.783 28.175 -96.721 1.00 13.48 C ATOM 2771 CE1 TYR C 87 70.980 26.030 -95.435 1.00 12.64 C ATOM 2772 CE2 TYR C 87 69.314 26.900 -96.936 1.00 12.39 C ATOM 2773 CZ TYR C 87 69.912 25.828 -96.301 1.00 13.03 C ATOM 2774 OH TYR C 87 69.406 24.521 -96.484 1.00 16.24 O ATOM 2775 HH TYR C 87 69.449 24.283 -97.444 1.00 0.00 H ATOM 2776 H TYR C 87 69.024 29.692 -94.347 1.00 0.00 H ATOM 2777 N PRO C 88 72.559 32.219 -93.608 1.00 11.82 N ATOM 2778 CA PRO C 88 72.933 33.642 -93.547 1.00 12.43 C ATOM 2779 C PRO C 88 73.186 34.273 -94.899 1.00 12.59 C ATOM 2780 O PRO C 88 73.817 33.671 -95.775 1.00 13.27 O ATOM 2781 CB PRO C 88 74.222 33.650 -92.747 1.00 13.91 C ATOM 2782 CG PRO C 88 74.405 32.282 -92.213 1.00 17.48 C ATOM 2783 CD PRO C 88 73.421 31.339 -92.797 1.00 13.98 C ATOM 2784 N ILE C 89 72.724 35.508 -95.028 1.00 13.51 N ATOM 2785 CA ILE C 89 72.994 36.362 -96.163 1.00 13.84 C ATOM 2786 C ILE C 89 73.572 37.668 -95.645 1.00 13.96 C ATOM 2787 O ILE C 89 73.090 38.208 -94.675 1.00 14.84 O ATOM 2788 CB ILE C 89 71.701 36.660 -96.933 1.00 16.37 C ATOM 2789 CG1 ILE C 89 71.081 35.353 -97.418 1.00 18.36 C ATOM 2790 CG2 ILE C 89 71.990 37.565 -98.119 1.00 17.40 C ATOM 2791 CD1 ILE C 89 69.870 35.523 -98.327 1.00 22.42 C ATOM 2792 H ILE C 89 72.129 35.887 -94.264 1.00 0.00 H ATOM 2793 N GLU C 90 74.652 38.091 -96.256 1.00 13.46 N ATOM 2794 CA GLU C 90 75.468 39.209 -95.792 1.00 15.21 C ATOM 2795 C GLU C 90 75.298 40.424 -96.719 1.00 14.16 C ATOM 2796 O GLU C 90 75.080 40.253 -97.933 1.00 12.66 O ATOM 2797 CB GLU C 90 76.941 38.804 -95.853 1.00 18.53 C ATOM 2798 CG GLU C 90 77.265 37.433 -95.240 1.00 23.57 C ATOM 2799 CD GLU C 90 77.041 37.403 -93.757 1.00 26.47 C ATOM 2800 OE1 GLU C 90 76.921 36.291 -93.192 1.00 28.52 O ATOM 2801 OE2 GLU C 90 76.943 38.492 -93.165 1.00 27.21 O ATOM 2802 H GLU C 90 74.945 37.600 -97.125 1.00 0.00 H ATOM 2803 N VAL C 91 75.633 41.615 -96.191 1.00 12.68 N ATOM 2804 CA VAL C 91 76.067 42.763 -97.024 1.00 13.42 C ATOM 2805 C VAL C 91 77.405 43.268 -96.526 1.00 13.98 C ATOM 2806 O VAL C 91 77.702 43.114 -95.358 1.00 16.60 O ATOM 2807 CB VAL C 91 75.078 43.979 -96.954 1.00 15.46 C ATOM 2808 CG1 VAL C 91 73.716 43.602 -97.442 1.00 16.21 C ATOM 2809 CG2 VAL C 91 75.021 44.575 -95.576 1.00 19.03 C ATOM 2810 H VAL C 91 75.586 41.736 -95.159 1.00 0.00 H ATOM 2811 N GLN C 92 78.188 43.888 -97.394 1.00 13.73 N ATOM 2812 CA GLN C 92 79.507 44.393 -97.011 1.00 15.50 C ATOM 2813 C GLN C 92 79.389 45.881 -96.732 1.00 16.15 C ATOM 2814 O GLN C 92 79.139 46.673 -97.661 1.00 18.12 O ATOM 2815 CB GLN C 92 80.540 44.163 -98.070 1.00 19.90 C ATOM 2816 CG GLN C 92 81.871 44.812 -97.676 1.00 25.65 C ATOM 2817 CD GLN C 92 83.041 44.351 -98.512 1.00 31.27 C ATOM 2818 OE1 GLN C 92 83.415 44.995 -99.485 1.00 37.34 O ATOM 2819 NE2 GLN C 92 83.640 43.225 -98.120 1.00 40.31 N ATOM 2820 HE22 GLN C 92 83.288 42.711 -97.287 1.00 0.00 H ATOM 2821 HE21 GLN C 92 84.459 42.861 -98.647 1.00 0.00 H ATOM 2822 H GLN C 92 77.858 44.020 -98.372 1.00 0.00 H ATOM 2823 N VAL C 93 79.425 46.224 -95.466 1.00 13.63 N ATOM 2824 CA VAL C 93 79.265 47.620 -95.061 1.00 13.02 C ATOM 2825 C VAL C 93 80.647 48.231 -95.257 1.00 14.87 C ATOM 2826 O VAL C 93 81.627 47.725 -94.729 1.00 13.17 O ATOM 2827 CB VAL C 93 78.798 47.723 -93.600 1.00 12.90 C ATOM 2828 CG1 VAL C 93 78.658 49.188 -93.142 1.00 14.61 C ATOM 2829 CG2 VAL C 93 77.483 46.990 -93.392 1.00 13.98 C ATOM 2830 H VAL C 93 79.569 45.493 -94.741 1.00 0.00 H ATOM 2831 N GLY C 94 80.743 49.306 -96.037 1.00 12.56 N ATOM 2832 CA GLY C 94 82.035 49.920 -96.321 1.00 12.28 C ATOM 2833 C GLY C 94 82.619 50.578 -95.089 1.00 11.58 C ATOM 2834 O GLY C 94 81.890 50.897 -94.151 1.00 11.56 O ATOM 2835 H GLY C 94 79.881 49.715 -96.451 1.00 0.00 H ATOM 2836 N GLY C 95 83.931 50.840 -95.120 1.00 11.74 N ATOM 2837 CA GLY C 95 84.579 51.626 -94.076 1.00 12.24 C ATOM 2838 C GLY C 95 83.944 53.012 -93.994 1.00 10.86 C ATOM 2839 O GLY C 95 83.644 53.496 -92.906 1.00 11.78 O ATOM 2840 H GLY C 95 84.503 50.474 -95.908 1.00 0.00 H ATOM 2841 N ALA C 96 83.677 53.615 -95.155 1.00 10.14 N ATOM 2842 CA ALA C 96 83.135 54.946 -95.187 1.00 9.26 C ATOM 2843 C ALA C 96 82.567 55.280 -96.515 1.00 9.11 C ATOM 2844 O ALA C 96 83.154 54.906 -97.541 1.00 10.65 O ATOM 2845 CB ALA C 96 84.198 55.964 -94.794 1.00 10.74 C ATOM 2846 H ALA C 96 83.864 53.115 -96.048 1.00 0.00 H ATOM 2847 N THR C 97 81.432 55.983 -96.476 1.00 8.68 N ATOM 2848 CA THR C 97 80.827 56.613 -97.656 1.00 8.66 C ATOM 2849 C THR C 97 81.034 58.104 -97.443 1.00 7.77 C ATOM 2850 O THR C 97 80.570 58.672 -96.420 1.00 7.94 O ATOM 2851 CB THR C 97 79.374 56.234 -97.786 1.00 9.67 C ATOM 2852 OG1 THR C 97 79.267 54.776 -98.011 1.00 10.90 O ATOM 2853 CG2 THR C 97 78.677 57.010 -98.874 1.00 10.79 C ATOM 2854 HG1 THR C 97 79.668 54.295 -97.245 1.00 0.00 H ATOM 2855 H THR C 97 80.951 56.090 -95.560 1.00 0.00 H ATOM 2856 N VAL C 98 81.712 58.736 -98.389 1.00 7.05 N ATOM 2857 CA VAL C 98 82.294 60.074 -98.119 1.00 8.09 C ATOM 2858 C VAL C 98 81.928 61.066 -99.249 1.00 8.28 C ATOM 2859 O VAL C 98 82.198 60.810-100.425 1.00 9.46 O ATOM 2860 CB VAL C 98 83.801 60.029 -98.001 1.00 9.12 C ATOM 2861 CG1 VAL C 98 84.344 61.356 -97.586 1.00 10.68 C ATOM 2862 CG2 VAL C 98 84.245 58.973 -96.983 1.00 9.70 C ATOM 2863 H VAL C 98 81.837 58.294 -99.322 1.00 0.00 H ATOM 2864 N PHE C 99 81.278 62.176 -98.875 1.00 7.01 N ATOM 2865 CA PHE C 99 81.003 63.254 -99.764 1.00 7.24 C ATOM 2866 C PHE C 99 81.810 64.493 -99.388 1.00 8.39 C ATOM 2867 O PHE C 99 81.732 64.961 -98.250 1.00 8.99 O ATOM 2868 CB PHE C 99 79.512 63.611 -99.728 1.00 7.39 C ATOM 2869 CG PHE C 99 78.613 62.426 -99.901 1.00 7.44 C ATOM 2870 CD1 PHE C 99 78.202 62.060-101.173 1.00 7.68 C ATOM 2871 CD2 PHE C 99 78.115 61.737 -98.834 1.00 7.05 C ATOM 2872 CE1 PHE C 99 77.368 60.974-101.381 1.00 7.68 C ATOM 2873 CE2 PHE C 99 77.269 60.626 -99.027 1.00 7.30 C ATOM 2874 CZ PHE C 99 76.857 60.286-100.310 1.00 7.61 C ATOM 2875 H PHE C 99 80.959 62.254 -97.888 1.00 0.00 H ATOM 2876 N VAL C 100 82.572 65.010-100.332 1.00 8.42 N ATOM 2877 CA VAL C 100 83.346 66.231-100.118 1.00 8.35 C ATOM 2878 C VAL C 100 82.650 67.388-100.795 1.00 8.97 C ATOM 2879 O VAL C 100 82.350 67.355-101.993 1.00 9.57 O ATOM 2880 CB VAL C 100 84.768 66.115-100.720 1.00 9.28 C ATOM 2881 CG1 VAL C 100 85.555 67.388-100.452 1.00 10.31 C ATOM 2882 CG2 VAL C 100 85.503 64.903-100.134 1.00 10.86 C ATOM 2883 H VAL C 100 82.624 64.535-101.256 1.00 0.00 H ATOM 2884 N MET C 101 82.245 68.361 -99.978 1.00 9.79 N ATOM 2885 CA MET C 101 81.371 69.467-100.412 1.00 10.39 C ATOM 2886 C MET C 101 82.149 70.798-100.379 1.00 9.85 C ATOM 2887 O MET C 101 82.962 71.042 -99.489 1.00 9.39 O ATOM 2888 CB MET C 101 80.175 69.572 -99.417 1.00 11.50 C ATOM 2889 CG MET C 101 79.502 68.234 -99.065 1.00 13.46 C ATOM 2890 SD MET C 101 78.822 67.442-100.504 1.00 16.51 S ATOM 2891 CE MET C 101 77.444 68.585-100.834 1.00 18.58 C ATOM 2892 H MET C 101 82.561 68.339 -98.987 1.00 0.00 H ATOM 2893 N PRO C 102 81.917 71.664-101.361 1.00 10.60 N ATOM 2894 CA PRO C 102 82.483 72.991-101.360 1.00 11.73 C ATOM 2895 C PRO C 102 81.910 73.886-100.250 1.00 11.86 C ATOM 2896 O PRO C 102 80.741 73.725 -99.853 1.00 13.10 O ATOM 2897 CB PRO C 102 82.048 73.549-102.728 1.00 13.93 C ATOM 2898 CG PRO C 102 80.793 72.854-103.003 1.00 14.98 C ATOM 2899 CD PRO C 102 81.047 71.434-102.522 1.00 13.65 C ATOM 2900 N VAL C 103 82.759 74.762 -99.711 1.00 11.06 N ATOM 2901 CA VAL C 103 82.396 75.697 -98.663 1.00 10.35 C ATOM 2902 C VAL C 103 82.599 77.081 -99.236 1.00 10.62 C ATOM 2903 O VAL C 103 83.698 77.380 -99.710 1.00 12.04 O ATOM 2904 CB VAL C 103 83.267 75.506 -97.407 1.00 11.90 C ATOM 2905 CG1 VAL C 103 83.064 76.595 -96.388 1.00 11.55 C ATOM 2906 CG2 VAL C 103 82.969 74.148 -96.776 1.00 12.72 C ATOM 2907 H VAL C 103 83.738 74.776-100.062 1.00 0.00 H ATOM 2908 N GLU C 104 81.565 77.925 -99.192 1.00 10.50 N ATOM 2909 CA GLU C 104 81.676 79.320 -99.676 1.00 11.65 C ATOM 2910 C GLU C 104 82.412 80.184 -98.667 1.00 13.15 C ATOM 2911 O GLU C 104 83.290 80.990 -99.040 1.00 13.25 O ATOM 2912 CB GLU C 104 80.297 79.900 -99.926 1.00 14.56 C ATOM 2913 CG GLU C 104 80.331 81.264-100.587 1.00 21.77 C ATOM 2914 CD GLU C 104 80.282 82.409 -99.599 1.00 35.00 C ATOM 2915 OE1 GLU C 104 79.716 82.239 -98.484 1.00 41.48 O ATOM 2916 OE2 GLU C 104 80.845 83.491 -99.929 1.00 47.37 O ATOM 2917 H GLU C 104 80.657 77.594 -98.807 1.00 0.00 H ATOM 2918 N SER C 105 82.137 79.987 -97.377 1.00 11.32 N ATOM 2919 CA SER C 105 82.845 80.723 -96.333 1.00 12.85 C ATOM 2920 C SER C 105 82.833 80.001 -95.028 1.00 11.47 C ATOM 2921 O SER C 105 81.947 79.182 -94.758 1.00 10.29 O ATOM 2922 CB SER C 105 82.244 82.116 -96.142 1.00 13.59 C ATOM 2923 OG SER C 105 80.931 82.098 -95.632 1.00 15.28 O ATOM 2924 HG SER C 105 80.604 83.027 -95.533 1.00 0.00 H ATOM 2925 H SER C 105 81.406 79.297 -97.110 1.00 0.00 H ATOM 2926 N PHE C 106 83.805 80.316 -94.187 1.00 11.99 N ATOM 2927 CA PHE C 106 83.981 79.710 -92.875 1.00 10.88 C ATOM 2928 C PHE C 106 84.101 80.808 -91.831 1.00 12.71 C ATOM 2929 O PHE C 106 84.781 81.823 -92.079 1.00 12.67 O ATOM 2930 CB PHE C 106 85.272 78.858 -92.876 1.00 11.94 C ATOM 2931 CG PHE C 106 85.695 78.374 -91.530 1.00 13.76 C ATOM 2932 CD1 PHE C 106 86.778 78.926 -90.862 1.00 14.38 C ATOM 2933 CD2 PHE C 106 84.981 77.357 -90.892 1.00 13.86 C ATOM 2934 CE1 PHE C 106 87.104 78.482 -89.594 1.00 15.25 C ATOM 2935 CE2 PHE C 106 85.379 76.855 -89.680 1.00 15.77 C ATOM 2936 CZ PHE C 106 86.389 77.471 -88.981 1.00 15.59 C ATOM 2937 H PHE C 106 84.487 81.043 -94.482 1.00 0.00 H ATOM 2938 N HIS C 107 83.552 80.577 -90.645 1.00 10.40 N ATOM 2939 CA HIS C 107 83.647 81.532 -89.535 1.00 11.17 C ATOM 2940 C HIS C 107 83.845 80.782 -88.256 1.00 12.49 C ATOM 2941 O HIS C 107 83.222 79.750 -88.007 1.00 11.31 O ATOM 2942 CB HIS C 107 82.408 82.453 -89.457 1.00 11.64 C ATOM 2943 CG HIS C 107 81.973 82.983 -90.791 1.00 14.57 C ATOM 2944 ND1 HIS C 107 82.429 84.188 -91.287 1.00 20.89 N ATOM 2945 CD2 HIS C 107 81.382 82.353 -91.838 1.00 19.28 C ATOM 2946 CE1 HIS C 107 81.967 84.350 -92.514 1.00 18.68 C ATOM 2947 NE2 HIS C 107 81.359 83.240 -92.882 1.00 22.56 N ATOM 2948 H HIS C 107 83.036 79.687 -90.497 1.00 0.00 H ATOM 2949 N HIS C 108 84.699 81.319 -87.393 1.00 12.04 N ATOM 2950 CA HIS C 108 84.883 80.801 -86.057 1.00 11.80 C ATOM 2951 C HIS C 108 84.745 81.977 -85.100 1.00 14.00 C ATOM 2952 O HIS C 108 85.668 82.831 -85.013 1.00 15.04 O ATOM 2953 CB HIS C 108 86.279 80.170 -85.926 1.00 13.77 C ATOM 2954 CG HIS C 108 86.489 79.409 -84.671 1.00 14.71 C ATOM 2955 ND1 HIS C 108 87.747 78.988 -84.252 1.00 16.88 N ATOM 2956 CD2 HIS C 108 85.604 78.867 -83.805 1.00 15.35 C ATOM 2957 CE1 HIS C 108 87.608 78.219 -83.185 1.00 19.07 C ATOM 2958 NE2 HIS C 108 86.325 78.160 -82.876 1.00 15.85 N ATOM 2959 H HIS C 108 85.257 82.145 -87.690 1.00 0.00 H ATOM 2960 N PHE C 109 83.620 82.036 -84.407 1.00 12.41 N ATOM 2961 CA PHE C 109 83.260 83.179 -83.561 1.00 14.88 C ATOM 2962 C PHE C 109 83.786 82.952 -82.159 1.00 17.51 C ATOM 2963 O PHE C 109 83.444 81.982 -81.501 1.00 17.14 O ATOM 2964 CB PHE C 109 81.741 83.406 -83.559 1.00 15.19 C ATOM 2965 CG PHE C 109 81.186 83.825 -84.877 1.00 15.01 C ATOM 2966 CD1 PHE C 109 80.041 83.252 -85.397 1.00 17.65 C ATOM 2967 CD2 PHE C 109 81.806 84.799 -85.629 1.00 15.58 C ATOM 2968 CE1 PHE C 109 79.524 83.670 -86.607 1.00 16.05 C ATOM 2969 CE2 PHE C 109 81.325 85.166 -86.871 1.00 14.70 C ATOM 2970 CZ PHE C 109 80.182 84.589 -87.369 1.00 15.17 C ATOM 2971 H PHE C 109 82.960 81.235 -84.465 1.00 0.00 H ATOM 2972 N LEU C 110 84.669 83.859 -81.729 1.00 19.24 N ATOM 2973 CA LEU C 110 85.419 83.677 -80.498 1.00 20.70 C ATOM 2974 C LEU C 110 85.084 84.763 -79.422 1.00 23.16 C ATOM 2975 O LEU C 110 85.748 84.819 -78.376 1.00 25.18 O ATOM 2976 CB LEU C 110 86.913 83.719 -80.789 1.00 24.63 C ATOM 2977 CG LEU C 110 87.541 82.761 -81.806 1.00 27.11 C ATOM 2978 CD1 LEU C 110 89.047 82.973 -81.863 1.00 29.58 C ATOM 2979 CD2 LEU C 110 87.206 81.325 -81.477 1.00 24.56 C ATOM 2980 H LEU C 110 84.824 84.720 -82.292 1.00 0.00 H ATOM 2981 N GLU C 111 84.039 85.565 -79.631 1.00 24.40 N ATOM 2982 CA GLU C 111 83.588 86.543 -78.585 1.00 29.20 C ATOM 2983 C GLU C 111 83.122 85.878 -77.262 1.00 34.52 C ATOM 2984 O GLU C 111 82.248 85.006 -77.276 1.00 25.97 O ATOM 2985 CB GLU C 111 82.432 87.404 -79.127 1.00 29.74 C ATOM 2986 H GLU C 111 83.527 85.512 -80.535 1.00 0.00 H ATOM 2987 N HIS C 112 83.633 86.356 -76.118 1.00 42.83 N ATOM 2988 CA HIS C 112 83.154 85.885 -74.802 1.00 44.76 C ATOM 2989 C HIS C 112 82.541 87.029 -73.988 1.00 47.33 C ATOM 2990 O HIS C 112 81.470 87.557 -74.342 1.00 46.95 O ATOM 2991 CB HIS C 112 84.280 85.198 -74.013 1.00 43.53 C ATOM 2992 H HIS C 112 84.384 87.075 -76.158 1.00 0.00 H TER 2993 HIS C 112 HETATM 2994 O HOH 1 79.912 65.682-108.315 1.00 17.62 O HETATM 2995 O HOH 2 77.850 68.619-108.248 1.00 18.92 O HETATM 2996 O HOH 3 84.595 61.880-107.168 1.00 21.27 O HETATM 2997 O HOH 4 75.227 66.269-115.021 1.00 24.85 O HETATM 2998 O HOH 5 67.928 64.426-112.549 1.00 15.89 O HETATM 2999 O HOH 6 66.011 61.275-112.382 1.00 18.59 O HETATM 3000 O HOH 7 61.342 58.391-108.814 1.00 21.66 O HETATM 3001 O HOH 8 60.010 53.967-104.632 1.00 21.34 O HETATM 3002 O HOH 9 74.569 61.219-113.560 1.00 13.21 O HETATM 3003 O HOH 10 75.600 58.889-114.696 1.00 15.13 O HETATM 3004 O HOH 11 78.625 54.671-116.796 1.00 21.45 O HETATM 3005 O HOH 12 78.950 51.921-115.806 1.00 35.08 O HETATM 3006 O HOH 13 71.717 56.676-104.460 1.00 14.63 O HETATM 3007 O HOH 14 60.463 75.418 -95.783 1.00 14.25 O HETATM 3008 O HOH 15 62.605 78.842 -94.583 1.00 20.90 O HETATM 3009 O HOH 16 60.221 77.216 -90.897 1.00 18.75 O HETATM 3010 O HOH 17 62.115 76.950 -88.935 1.00 14.27 O HETATM 3011 O HOH 18 58.638 71.105 -95.190 1.00 10.65 O HETATM 3012 O HOH 19 58.813 68.862 -93.252 1.00 11.25 O HETATM 3013 O HOH 20 59.482 71.255 -85.098 1.00 15.84 O HETATM 3014 O HOH 21 57.427 65.535 -87.350 1.00 12.90 O HETATM 3015 O HOH 22 68.834 65.826 -83.078 1.00 19.44 O HETATM 3016 O HOH 23 67.280 68.627 -82.049 1.00 18.30 O HETATM 3017 O HOH 24 56.792 64.836 -94.216 1.00 16.56 O HETATM 3018 O HOH 25 50.415 72.216 -94.294 1.00 14.60 O HETATM 3019 O HOH 26 63.420 78.983 -83.053 1.00 14.43 O HETATM 3020 O HOH 27 57.065 68.132 -88.268 1.00 19.79 O HETATM 3021 O HOH 28 50.316 66.872 -87.833 1.00 26.21 O HETATM 3022 O HOH 29 60.832 81.773 -91.491 1.00 26.17 O HETATM 3023 O HOH 30 71.968 52.970-103.398 1.00 16.65 O HETATM 3024 O HOH 31 67.262 48.585-104.002 1.00 25.18 O HETATM 3025 O HOH 32 57.629 57.005 -89.694 1.00 20.65 O HETATM 3026 O HOH 33 56.030 56.421 -92.279 1.00 18.94 O HETATM 3027 O HOH 34 54.072 70.788 -82.573 1.00 19.96 O HETATM 3028 O HOH 35 44.881 73.338 -76.977 1.00 21.55 O HETATM 3029 O HOH 36 68.148 53.329 -98.726 1.00 18.34 O HETATM 3030 O HOH 37 66.095 54.407 -97.065 1.00 21.07 O HETATM 3031 O HOH 38 66.409 55.945 -95.073 1.00 26.60 O HETATM 3032 O HOH 39 47.898 77.014 -65.213 1.00 31.57 O HETATM 3033 O HOH 40 48.540 77.035 -60.121 1.00 24.11 O HETATM 3034 O HOH 41 50.164 74.984 -59.916 1.00 23.73 O HETATM 3035 O HOH 42 49.432 79.017 -96.830 1.00 18.86 O HETATM 3036 O HOH 43 58.978 69.020 -90.273 1.00 15.64 O HETATM 3037 O HOH 44 67.638 58.111-117.603 1.00 28.36 O HETATM 3038 O HOH 45 67.770 56.275-119.573 1.00 14.62 O HETATM 3039 O HOH 46 75.159 57.859-117.809 1.00 22.67 O HETATM 3040 O HOH 47 44.465 79.253 -78.245 1.00 18.04 O HETATM 3041 O HOH 48 44.716 77.786 -85.615 1.00 27.68 O HETATM 3042 O HOH 49 60.632 79.284 -92.728 1.00 24.78 O HETATM 3043 O HOH 50 54.824 66.624-101.010 1.00 22.03 O HETATM 3044 O HOH 51 62.551 58.264 -88.182 1.00 34.77 O HETATM 3045 O HOH 52 64.219 72.845 -82.005 1.00 15.84 O HETATM 3046 O HOH 53 63.626 64.555 -82.478 1.00 31.36 O HETATM 3047 O HOH 54 47.770 74.522 -79.884 1.00 21.11 O HETATM 3048 O HOH 55 46.373 75.520 -78.181 1.00 24.01 O HETATM 3049 O HOH 56 45.983 71.429 -72.408 1.00 32.13 O HETATM 3050 O HOH 57 46.370 73.966 -67.526 1.00 26.26 O HETATM 3051 O HOH 58 81.110 61.962-109.675 1.00 27.10 O HETATM 3052 O HOH 59 78.095 67.011-111.134 1.00 29.32 O HETATM 3053 O HOH 60 62.156 63.129 -84.474 1.00 24.74 O HETATM 3054 O HOH 61 63.667 60.361 -86.942 1.00 34.66 O HETATM 3055 O HOH 62 55.553 59.112 -86.241 1.00 36.88 O HETATM 3056 O HOH 63 56.979 53.413 -98.747 1.00 23.45 O HETATM 3057 O HOH 64 57.812 51.796-100.678 1.00 23.63 O HETATM 3058 O HOH 65 57.528 53.026-103.192 1.00 30.86 O HETATM 3059 O HOH 66 61.432 49.130 -99.438 1.00 34.00 O HETATM 3060 O HOH 67 57.974 69.036 -85.849 1.00 18.65 O HETATM 3061 O HOH 68 64.381 56.353-113.846 1.00 27.17 O HETATM 3062 O HOH 69 67.741 62.056-115.774 1.00 28.27 O HETATM 3063 O HOH 70 61.192 65.275-109.616 1.00 25.32 O HETATM 3064 O HOH 71 56.313 62.605-107.178 1.00 23.83 O HETATM 3065 O HOH 72 57.176 64.456-109.090 1.00 30.63 O HETATM 3066 O HOH 73 53.787 63.017-106.203 1.00 31.03 O HETATM 3067 O HOH 74 86.520 55.618-103.398 1.00 23.30 O HETATM 3068 O HOH 75 89.043 51.506-100.426 1.00 24.94 O HETATM 3069 O HOH 76 61.226 82.129 -88.828 1.00 21.98 O HETATM 3070 O HOH 77 58.154 78.230 -93.902 1.00 25.34 O HETATM 3071 O HOH 78 88.300 68.859-102.603 1.00 32.22 O HETATM 3072 O HOH 79 87.943 66.567-103.430 1.00 35.36 O HETATM 3073 O HOH 80 78.423 53.291-102.905 1.00 21.00 O HETATM 3074 O HOH 81 85.098 52.213-103.974 1.00 32.26 O HETATM 3075 O HOH 82 47.385 76.103 -68.633 1.00 32.62 O HETATM 3076 O HOH 83 46.119 72.128 -74.872 1.00 34.30 O HETATM 3077 O HOH 84 45.607 68.742 -71.986 1.00 36.97 O HETATM 3078 O HOH 85 52.778 66.912 -88.367 1.00 27.46 O HETATM 3079 O HOH 86 50.762 66.455 -85.294 1.00 39.92 O HETATM 3080 O HOH 87 59.500 66.162-107.793 1.00 35.14 O HETATM 3081 O HOH 88 71.340 66.906-111.194 1.00 31.59 O HETATM 3082 O HOH 89 61.602 61.526-112.319 1.00 35.08 O HETATM 3083 O HOH 90 60.580 53.829-107.180 1.00 34.59 O HETATM 3084 O HOH 91 80.244 69.952-108.353 1.00 28.35 O HETATM 3085 O HOH 92 83.643 68.125-108.863 1.00 29.76 O HETATM 3086 O HOH 93 46.991 67.872 -94.524 1.00 36.57 O HETATM 3087 O HOH 94 52.093 62.900-101.384 1.00 42.19 O HETATM 3088 O HOH 95 46.514 79.389 -76.598 1.00 27.62 O HETATM 3089 O HOH 96 80.874 70.979-106.070 1.00 36.54 O HETATM 3090 O HOH 97 83.388 72.067-106.110 1.00 33.70 O HETATM 3091 O HOH 98 55.024 53.893 -92.025 1.00 36.83 O HETATM 3092 O HOH 99 59.548 56.855 -87.586 1.00 41.44 O HETATM 3093 O HOH 100 58.394 66.187 -80.576 1.00 35.65 O HETATM 3094 O HOH 101 68.172 63.903 -81.023 1.00 34.70 O HETATM 3095 O HOH 102 62.056 55.777-112.589 1.00 37.14 O HETATM 3096 O HOH 103 55.413 54.671-101.003 1.00 33.35 O HETATM 3097 O HOH 104 81.815 63.654-107.642 1.00 40.18 O HETATM 3098 O HOH 105 50.577 83.536 -64.174 1.00 37.21 O HETATM 3099 O HOH 106 45.853 75.365 -64.331 1.00 27.35 O HETATM 3100 O HOH 107 59.281 79.277 -81.771 1.00 21.69 O HETATM 3101 O HOH 108 57.781 81.575 -81.795 1.00 28.04 O HETATM 3102 O HOH 109 75.032 78.801-104.004 1.00 22.25 O HETATM 3103 O HOH 110 77.338 82.960-104.163 1.00 40.14 O HETATM 3104 O HOH 111 76.065 84.787 -99.570 1.00 32.59 O HETATM 3105 O HOH 112 74.920 88.091 -97.011 1.00 16.87 O HETATM 3106 O HOH 113 72.802 89.693 -94.847 1.00 22.23 O HETATM 3107 O HOH 114 69.963 86.909-102.237 1.00 22.23 O HETATM 3108 O HOH 115 89.892 63.666 -77.540 1.00 21.51 O HETATM 3109 O HOH 116 87.099 68.805 -83.227 1.00 13.10 O HETATM 3110 O HOH 117 88.008 71.301 -82.739 1.00 18.10 O HETATM 3111 O HOH 118 83.126 77.049 -82.077 1.00 11.60 O HETATM 3112 O HOH 119 80.896 75.801 -80.615 1.00 12.08 O HETATM 3113 O HOH 120 80.766 73.145 -79.304 1.00 14.12 O HETATM 3114 O HOH 121 80.317 72.503 -76.467 1.00 15.44 O HETATM 3115 O HOH 122 77.743 71.955 -75.615 1.00 12.84 O HETATM 3116 O HOH 123 80.676 69.605 -76.208 1.00 13.80 O HETATM 3117 O HOH 124 82.262 67.734 -77.783 1.00 12.80 O HETATM 3118 O HOH 125 80.401 74.905 -72.906 1.00 18.37 O HETATM 3119 O HOH 126 77.882 78.464 -78.439 1.00 14.24 O HETATM 3120 O HOH 127 92.728 68.555 -83.952 1.00 17.29 O HETATM 3121 O HOH 128 86.605 75.727 -84.889 1.00 18.05 O HETATM 3122 O HOH 129 62.862 79.208 -87.235 1.00 20.57 O HETATM 3123 O HOH 130 69.945 76.296 -74.570 1.00 15.52 O HETATM 3124 O HOH 131 70.047 79.448 -74.633 1.00 16.25 O HETATM 3125 O HOH 132 82.829 68.275 -71.803 1.00 21.13 O HETATM 3126 O HOH 133 84.223 65.986 -72.328 1.00 20.93 O HETATM 3127 O HOH 134 77.093 62.282 -81.947 1.00 20.00 O HETATM 3128 O HOH 135 65.406 75.125 -81.219 1.00 21.00 O HETATM 3129 O HOH 136 81.218 75.783 -70.215 1.00 19.66 O HETATM 3130 O HOH 137 96.168 59.267 -58.703 1.00 31.69 O HETATM 3131 O HOH 138 65.820 76.194-106.554 1.00 18.74 O HETATM 3132 O HOH 139 72.006 76.605-108.929 1.00 30.59 O HETATM 3133 O HOH 140 57.294 77.522-100.084 1.00 29.40 O HETATM 3134 O HOH 141 94.175 67.489 -56.488 1.00 17.34 O HETATM 3135 O HOH 142 58.280 89.541 -88.509 1.00 24.21 O HETATM 3136 O HOH 143 67.602 89.194 -93.411 1.00 27.75 O HETATM 3137 O HOH 144 67.164 84.872 -78.107 1.00 18.66 O HETATM 3138 O HOH 145 61.981 79.989 -81.589 1.00 23.74 O HETATM 3139 O HOH 146 89.860 74.994 -82.498 1.00 28.15 O HETATM 3140 O HOH 147 89.870 72.428 -84.573 1.00 35.54 O HETATM 3141 O HOH 148 59.248 84.598 -87.112 1.00 26.38 O HETATM 3142 O HOH 149 64.850 78.568 -85.134 1.00 27.04 O HETATM 3143 O HOH 150 61.747 84.389 -81.111 1.00 28.81 O HETATM 3144 O HOH 151 65.440 86.518 -79.619 1.00 27.46 O HETATM 3145 O HOH 152 70.122 88.604 -81.688 1.00 27.52 O HETATM 3146 O HOH 153 66.932 88.153 -83.955 1.00 26.28 O HETATM 3147 O HOH 154 76.731 90.155 -84.306 1.00 28.72 O HETATM 3148 O HOH 155 72.033 90.997 -85.848 1.00 35.35 O HETATM 3149 O HOH 156 71.117 89.971 -88.187 1.00 27.01 O HETATM 3150 O HOH 157 77.571 89.216 -90.402 1.00 24.80 O HETATM 3151 O HOH 158 80.630 85.318 -95.220 1.00 34.23 O HETATM 3152 O HOH 159 54.571 70.726-103.816 1.00 24.81 O HETATM 3153 O HOH 160 77.662 68.661 -73.353 1.00 25.17 O HETATM 3154 O HOH 161 77.609 65.438 -73.208 1.00 29.82 O HETATM 3155 O HOH 162 74.814 65.403 -73.984 1.00 42.03 O HETATM 3156 O HOH 163 86.319 62.848 -73.425 1.00 37.96 O HETATM 3157 O HOH 164 74.673 62.676 -80.718 1.00 33.58 O HETATM 3158 O HOH 165 59.015 83.993 -90.854 1.00 22.60 O HETATM 3159 O HOH 166 79.293 71.519 -70.940 1.00 32.29 O HETATM 3160 O HOH 167 87.843 67.399 -66.151 1.00 26.19 O HETATM 3161 O HOH 168 95.989 65.320 -59.253 1.00 23.06 O HETATM 3162 O HOH 169 95.013 65.384 -62.655 1.00 31.59 O HETATM 3163 O HOH 170 88.612 66.288 -60.052 1.00 27.08 O HETATM 3164 O HOH 171 87.389 63.921 -58.602 1.00 34.79 O HETATM 3165 O HOH 172 88.806 62.078 -56.873 1.00 28.91 O HETATM 3166 O HOH 173 89.486 65.700 -64.581 1.00 25.61 O HETATM 3167 O HOH 174 75.303 72.493 -71.447 1.00 30.92 O HETATM 3168 O HOH 175 72.893 73.661 -71.690 1.00 34.71 O HETATM 3169 O HOH 176 77.839 72.635 -73.053 1.00 34.13 O HETATM 3170 O HOH 177 74.324 64.809 -78.464 1.00 27.20 O HETATM 3171 O HOH 178 97.421 52.400 -53.060 1.00 30.04 O HETATM 3172 O HOH 179 59.917 88.474 -85.770 1.00 32.30 O HETATM 3173 O HOH 180 65.534 83.213 -75.859 1.00 38.04 O HETATM 3174 O HOH 181 62.180 80.205 -75.583 1.00 33.52 O HETATM 3175 O HOH 182 82.052 72.561 -68.022 1.00 29.89 O HETATM 3176 O HOH 183 103.139 62.513 -55.280 1.00 32.13 O HETATM 3177 O HOH 184 67.734 74.067 -77.789 1.00 29.73 O HETATM 3178 O HOH 185 93.940 80.775 -76.612 1.00 22.12 O HETATM 3179 O HOH 186 92.420 82.946 -75.964 1.00 27.83 O HETATM 3180 O HOH 187 66.812 88.314 -80.827 1.00 34.31 O HETATM 3181 O HOH 188 56.291 74.868-102.933 1.00 33.70 O HETATM 3182 O HOH 189 73.811 62.780 -82.775 1.00 33.47 O HETATM 3183 O HOH 190 75.912 75.461-106.262 1.00 33.47 O HETATM 3184 O HOH 191 63.642 73.466 -77.448 1.00 32.09 O HETATM 3185 O HOH 192 65.627 70.067 -78.609 1.00 37.82 O HETATM 3186 O HOH 193 63.644 71.727 -79.319 1.00 36.84 O HETATM 3187 O HOH 194 70.049 62.164 -81.873 1.00 40.20 O HETATM 3188 O HOH 195 72.112 61.760 -80.531 1.00 40.24 O HETATM 3189 O HOH 196 89.479 72.929 -87.557 1.00 28.44 O HETATM 3190 O HOH 197 68.117 76.938-108.154 1.00 34.26 O HETATM 3191 O HOH 198 56.695 71.050-106.191 1.00 38.42 O HETATM 3192 O HOH 199 93.617 66.531 -65.155 1.00 34.83 O HETATM 3193 O HOH 200 74.871 69.758 -72.589 1.00 46.34 O HETATM 3194 O HOH 201 80.388 85.097 -80.599 1.00 32.68 O HETATM 3195 O HOH 202 95.217 70.516 -77.693 1.00 27.91 O HETATM 3196 O HOH 203 87.691 83.139 -77.266 1.00 23.24 O HETATM 3197 O HOH 204 70.103 33.608-101.166 1.00 33.22 O HETATM 3198 O HOH 205 85.823 82.084 -95.434 1.00 19.53 O HETATM 3199 O HOH 206 86.135 78.066 -98.491 1.00 21.55 O HETATM 3200 O HOH 207 74.174 54.447-102.206 1.00 17.44 O HETATM 3201 O HOH 208 78.015 53.587-100.264 1.00 15.38 O HETATM 3202 O HOH 209 80.407 53.038 -96.441 1.00 11.85 O HETATM 3203 O HOH 210 83.372 52.279 -90.590 1.00 13.22 O HETATM 3204 O HOH 211 77.306 51.123 -87.361 1.00 13.58 O HETATM 3205 O HOH 212 79.486 49.195 -85.878 1.00 20.36 O HETATM 3206 O HOH 213 83.631 53.551 -81.642 1.00 18.96 O HETATM 3207 O HOH 214 86.653 52.860 -82.494 1.00 16.33 O HETATM 3208 O HOH 215 94.213 61.568 -80.571 1.00 24.52 O HETATM 3209 O HOH 216 89.207 66.818 -83.392 1.00 17.05 O HETATM 3210 O HOH 217 90.181 70.378 -89.800 1.00 19.15 O HETATM 3211 O HOH 218 71.198 53.342 -98.108 1.00 22.51 O HETATM 3212 O HOH 219 77.673 52.632 -91.984 1.00 16.74 O HETATM 3213 O HOH 220 80.073 53.066 -93.575 1.00 11.76 O HETATM 3214 O HOH 221 78.015 49.179-101.113 1.00 18.88 O HETATM 3215 O HOH 222 68.614 44.987-103.137 1.00 21.17 O HETATM 3216 O HOH 223 69.381 51.337-102.388 1.00 24.68 O HETATM 3217 O HOH 224 87.951 52.781 -80.033 1.00 31.54 O HETATM 3218 O HOH 225 93.815 74.078 -89.354 1.00 17.44 O HETATM 3219 O HOH 226 92.146 72.037 -87.726 1.00 29.78 O HETATM 3220 O HOH 227 100.816 68.045 -83.918 1.00 19.39 O HETATM 3221 O HOH 228 97.869 65.554 -90.128 1.00 22.88 O HETATM 3222 O HOH 229 97.770 68.054 -91.464 1.00 21.01 O HETATM 3223 O HOH 230 70.283 34.153 -91.110 1.00 18.65 O HETATM 3224 O HOH 231 68.809 32.393 -96.805 1.00 14.85 O HETATM 3225 O HOH 232 70.461 32.048 -98.980 1.00 22.75 O HETATM 3226 O HOH 233 67.308 23.995 -98.047 1.00 24.96 O HETATM 3227 O HOH 234 87.869 64.290 -83.931 1.00 18.82 O HETATM 3228 O HOH 235 76.364 33.255 -96.260 1.00 23.61 O HETATM 3229 O HOH 236 97.371 73.647 -94.397 1.00 19.00 O HETATM 3230 O HOH 237 99.001 71.418 -94.609 1.00 22.60 O HETATM 3231 O HOH 238 93.828 67.814-100.733 1.00 25.45 O HETATM 3232 O HOH 239 92.337 71.354 -85.056 1.00 29.14 O HETATM 3233 O HOH 240 71.178 49.891 -84.609 1.00 31.35 O HETATM 3234 O HOH 241 89.529 62.886 -80.215 1.00 18.31 O HETATM 3235 O HOH 242 94.918 57.993 -83.080 1.00 22.25 O HETATM 3236 O HOH 243 65.760 45.453 -98.603 1.00 37.54 O HETATM 3237 O HOH 244 78.392 50.398-103.680 1.00 21.76 O HETATM 3238 O HOH 245 77.348 44.278-100.204 1.00 17.76 O HETATM 3239 O HOH 246 78.844 42.763-102.088 1.00 30.29 O HETATM 3240 O HOH 247 85.060 49.411 -81.391 1.00 33.24 O HETATM 3241 O HOH 248 92.792 56.286 -83.383 1.00 20.02 O HETATM 3242 O HOH 249 96.316 57.935 -85.524 1.00 26.65 O HETATM 3243 O HOH 250 96.043 60.233 -87.191 1.00 21.49 O HETATM 3244 O HOH 251 95.618 57.666 -89.011 1.00 28.90 O HETATM 3245 O HOH 252 95.548 67.647 -82.042 1.00 21.72 O HETATM 3246 O HOH 253 95.383 59.032 -80.667 1.00 37.47 O HETATM 3247 O HOH 254 89.744 56.982 -76.907 1.00 31.75 O HETATM 3248 O HOH 255 70.531 36.275 -93.110 1.00 23.64 O HETATM 3249 O HOH 256 68.245 36.568 -94.769 1.00 26.33 O HETATM 3250 O HOH 257 67.123 34.566 -96.325 1.00 26.29 O HETATM 3251 O HOH 258 64.539 31.214 -96.866 1.00 24.21 O HETATM 3252 O HOH 259 64.726 34.026 -95.825 1.00 30.93 O HETATM 3253 O HOH 260 70.539 29.652 -99.788 1.00 32.26 O HETATM 3254 O HOH 261 67.649 28.947 -99.312 1.00 33.64 O HETATM 3255 O HOH 262 70.052 45.466 -89.427 1.00 30.22 O HETATM 3256 O HOH 263 90.688 69.997-102.061 1.00 29.07 O HETATM 3257 O HOH 264 88.591 51.885 -95.340 1.00 26.84 O HETATM 3258 O HOH 265 96.725 61.710 -93.519 1.00 29.12 O HETATM 3259 O HOH 266 69.692 57.993 -85.552 1.00 27.64 O HETATM 3260 O HOH 267 68.090 58.002 -87.220 1.00 31.59 O HETATM 3261 O HOH 268 65.793 47.435 -96.104 1.00 32.29 O HETATM 3262 O HOH 269 85.031 75.322-101.637 1.00 23.15 O HETATM 3263 O HOH 270 78.592 46.569-101.263 1.00 33.05 O HETATM 3264 O HOH 271 81.714 77.282-102.894 1.00 34.19 O HETATM 3265 O HOH 272 88.039 83.680 -85.503 1.00 33.48 O HETATM 3266 O HOH 273 93.655 60.417 -99.690 1.00 34.56 O HETATM 3267 O HOH 274 91.219 58.944-101.304 1.00 40.50 O HETATM 3268 O HOH 275 77.848 50.620-106.429 1.00 36.50 O HETATM 3269 O HOH 276 97.695 59.531 -93.290 1.00 39.49 O HETATM 3270 O HOH 277 81.588 76.252-105.200 1.00 33.00 O HETATM 3271 O HOH 278 84.591 80.817-101.332 1.00 33.36 O HETATM 3272 O HOH 279 96.332 66.458 -80.194 1.00 36.20 O HETATM 3273 O HOH 280 96.172 63.550 -80.249 1.00 30.72 O HETATM 3274 O HOH 281 92.035 55.623 -80.496 1.00 38.46 O HETATM 3275 O HOH 282 83.570 59.251 -81.648 1.00 34.01 O HETATM 3276 O HOH 283 90.599 73.282 -90.275 1.00 33.57 O HETATM 3277 O HOH 284 84.125 77.294-102.789 1.00 35.55 O HETATM 3278 O HOH 285 82.633 41.333 -90.270 1.00 33.58 O HETATM 3279 O HOH 286 72.692 45.353 -88.722 1.00 36.46 O HETATM 3280 O HOH 287 80.199 50.322 -81.460 1.00 36.76 O HETATM 3281 O HOH 288 79.115 55.084 -81.457 1.00 42.84 O HETATM 3282 O HOH 289 81.821 55.846 -80.084 1.00 37.55 O HETATM 3283 O HOH 290 82.744 58.845 -77.259 1.00 37.28 O HETATM 3284 O HOH 291 94.946 53.196 -95.780 1.00 37.57 O HETATM 3285 O HOH 292 94.956 55.724 -95.852 1.00 35.03 O HETATM 3286 O HOH 293 94.797 55.178 -85.774 1.00 32.41 O HETATM 3287 O HOH 294 76.246 49.782 -82.689 1.00 43.18 O HETATM 3288 O HOH 295 90.793 79.119 -82.704 1.00 38.13 O HETATM 3289 O HOH 296 98.546 61.828 -87.279 1.00 42.12 O HETATM 3290 O HOH 297 77.494 83.665 -98.611 1.00 30.17 O HETATM 3291 P UNN A 298 59.781 74.024 -87.877 1.00 0.26 P HETATM 3292 O1P UNN A 298 59.220 73.419 -86.629 1.00 -0.62 O HETATM 3293 O2P UNN A 298 60.915 75.024 -87.820 1.00 -0.62 O HETATM 3294 O5' UNN A 298 58.644 74.768 -88.732 1.00 -0.25 O HETATM 3295 C5' UNN A 298 57.373 74.104 -88.950 1.00 0.11 C HETATM 3296 C4' UNN A 298 56.456 75.019 -89.728 1.00 0.12 C HETATM 3297 O4' UNN A 298 56.199 76.201 -88.996 1.00 -0.34 O HETATM 3298 C1' UNN A 298 55.691 77.062 -89.974 1.00 0.20 C HETATM 3299 C2' UNN A 298 56.311 76.814 -91.334 1.00 0.14 C HETATM 3300 C3' UNN A 298 57.034 75.514 -91.046 1.00 0.15 C HETATM 3301 O3' UNN A 298 56.882 74.494 -92.032 1.00 -0.25 O HETATM 3302 P1 UNN A 298 57.991 74.283 -93.173 1.00 0.26 P HETATM 3303 O1P1 UNN A 298 58.436 75.582 -93.719 1.00 -0.62 O HETATM 3304 O2P1 UNN A 298 57.458 73.241 -94.148 1.00 -0.62 O HETATM 3305 O5'1 UNN A 298 59.258 73.641 -92.397 1.00 -0.25 O HETATM 3306 C5'1 UNN A 298 59.244 72.334 -91.823 1.00 0.11 C HETATM 3307 C4'1 UNN A 298 60.571 72.128 -91.151 1.00 0.12 C HETATM 3308 O4'1 UNN A 298 61.634 72.195 -92.121 1.00 -0.34 O HETATM 3309 C1'1 UNN A 298 62.773 72.804 -91.473 1.00 0.20 C HETATM 3310 C2'1 UNN A 298 62.437 73.060 -90.016 1.00 0.14 C HETATM 3311 C3'1 UNN A 298 60.912 73.161 -90.099 1.00 0.15 C HETATM 3312 O3'1 UNN A 298 60.273 72.829 -88.870 1.00 -0.25 O HETATM 3313 H15 UNN A 298 60.603 74.169 -90.411 1.00 0.07 H HETATM 3314 O2'1 UNN A 298 62.836 71.904 -89.270 1.00 -0.38 O HETATM 3315 H17 UNN A 298 63.785 71.864 -89.233 1.00 0.21 H HETATM 3316 H16 UNN A 298 62.901 73.973 -89.615 1.00 0.07 H HETATM 3317 N91 UNN A 298 63.030 74.050 -92.193 1.00 -0.19 N HETATM 3318 C81 UNN A 298 62.136 74.958 -92.760 1.00 0.11 C HETATM 3319 N71 UNN A 298 62.796 75.942 -93.412 1.00 -0.30 N HETATM 3320 C51 UNN A 298 64.132 75.812 -93.047 1.00 0.10 C HETATM 3321 C61 UNN A 298 65.332 76.515 -93.444 1.00 0.13 C HETATM 3322 N61 UNN A 298 65.247 77.650 -94.191 1.00 -0.32 N HETATM 3323 H20 UNN A 298 66.104 78.147 -94.471 1.00 0.18 H HETATM 3324 H21 UNN A 298 64.325 78.011 -94.476 1.00 0.18 H HETATM 3325 N11 UNN A 298 66.508 75.999 -93.057 1.00 -0.27 N HETATM 3326 C21 UNN A 298 66.547 74.878 -92.320 1.00 0.05 C HETATM 3327 N31 UNN A 298 65.469 74.131 -91.976 1.00 -0.27 N HETATM 3328 C41 UNN A 298 64.263 74.563 -92.365 1.00 0.16 C HETATM 3329 H22 UNN A 298 67.517 74.543 -91.972 1.00 0.10 H HETATM 3330 H19 UNN A 298 61.052 74.885 -92.687 1.00 0.13 H HETATM 3331 H18 UNN A 298 63.651 72.144 -91.536 1.00 0.10 H HETATM 3332 H14 UNN A 298 60.561 71.134 -90.680 1.00 0.07 H HETATM 3333 H12 UNN A 298 59.099 71.579 -92.609 1.00 0.06 H HETATM 3334 H13 UNN A 298 58.432 72.255 -91.085 1.00 0.06 H HETATM 3335 H4 UNN A 298 58.108 75.723 -90.934 1.00 0.07 H HETATM 3336 O2' UNN A 298 55.274 76.668 -92.298 1.00 -0.38 O HETATM 3337 H6 UNN A 298 54.633 76.044 -91.980 1.00 0.21 H HETATM 3338 H5 UNN A 298 57.003 77.612 -91.640 1.00 0.07 H HETATM 3339 N9 UNN A 298 55.795 78.410 -89.579 1.00 -0.19 N HETATM 3340 C8 UNN A 298 54.722 79.208 -89.209 1.00 0.11 C HETATM 3341 N7 UNN A 298 55.151 80.393 -88.735 1.00 -0.30 N HETATM 3342 C5 UNN A 298 56.510 80.274 -88.787 1.00 0.10 C HETATM 3343 C6 UNN A 298 57.569 81.186 -88.428 1.00 0.13 C HETATM 3344 N6 UNN A 298 57.275 82.413 -87.973 1.00 -0.32 N HETATM 3345 H9 UNN A 298 58.032 83.063 -87.717 1.00 0.18 H HETATM 3346 H10 UNN A 298 56.292 82.706 -87.879 1.00 0.18 H HETATM 3347 N1 UNN A 298 58.824 80.759 -88.615 1.00 -0.27 N HETATM 3348 C2 UNN A 298 59.100 79.532 -89.025 1.00 0.05 C HETATM 3349 N3 UNN A 298 58.209 78.631 -89.441 1.00 -0.27 N HETATM 3350 C4 UNN A 298 56.898 78.973 -89.269 1.00 0.16 C HETATM 3351 H11 UNN A 298 60.142 79.233 -89.023 1.00 0.10 H HETATM 3352 H8 UNN A 298 53.676 78.916 -89.291 1.00 0.13 H HETATM 3353 H7 UNN A 298 54.618 76.839 -90.070 1.00 0.10 H HETATM 3354 H3 UNN A 298 55.517 74.480 -89.921 1.00 0.07 H HETATM 3355 H1 UNN A 298 56.914 73.862 -87.980 1.00 0.06 H HETATM 3356 H2 UNN A 298 57.536 73.177 -89.519 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1045 1046 1053 1054 1055 CONECT 1053 1045 CONECT 1054 1045 CONECT 1055 1045 CONECT 1731 1732 1739 1740 1741 CONECT 1739 1731 CONECT 1740 1731 CONECT 1741 1731 CONECT 2037 2038 2045 2046 2047 CONECT 2045 2037 CONECT 2046 2037 CONECT 2047 2037 CONECT 2723 2724 2731 2732 2733 CONECT 2731 2723 CONECT 2732 2723 CONECT 2733 2723 CONECT 3291 3292 3293 3294 3312 CONECT 3292 3291 CONECT 3293 3291 CONECT 3294 3291 3295 CONECT 3295 3294 3296 3355 3356 CONECT 3296 3295 3297 3300 3354 CONECT 3297 3296 3298 CONECT 3298 3297 3299 3339 3353 CONECT 3299 3298 3300 3336 3338 CONECT 3300 3296 3299 3301 3335 CONECT 3301 3300 3302 CONECT 3302 3301 3303 3304 3305 CONECT 3303 3302 CONECT 3304 3302 CONECT 3305 3302 3306 CONECT 3306 3305 3307 3333 3334 CONECT 3307 3306 3308 3311 3332 CONECT 3308 3307 3309 CONECT 3309 3308 3310 3317 3331 CONECT 3310 3309 3311 3314 3316 CONECT 3311 3307 3310 3312 3313 CONECT 3312 3291 3311 CONECT 3313 3311 CONECT 3314 3310 3315 CONECT 3315 3314 CONECT 3316 3310 CONECT 3317 3309 3318 3328 CONECT 3318 3317 3319 3330 CONECT 3319 3318 3320 CONECT 3320 3319 3321 3328 CONECT 3321 3320 3322 3325 CONECT 3322 3321 3323 3324 CONECT 3323 3322 CONECT 3324 3322 CONECT 3325 3321 3326 CONECT 3326 3325 3327 3329 CONECT 3327 3326 3328 CONECT 3328 3317 3320 3327 CONECT 3329 3326 CONECT 3330 3318 CONECT 3331 3309 CONECT 3332 3307 CONECT 3333 3306 CONECT 3334 3306 CONECT 3335 3300 CONECT 3336 3299 3337 CONECT 3337 3336 CONECT 3338 3299 CONECT 3339 3298 3340 3350 CONECT 3340 3339 3341 3352 CONECT 3341 3340 3342 CONECT 3342 3341 3343 3350 CONECT 3343 3342 3344 3347 CONECT 3344 3343 3345 3346 CONECT 3345 3344 CONECT 3346 3344 CONECT 3347 3343 3348 CONECT 3348 3347 3349 3351 CONECT 3349 3348 3350 CONECT 3350 3339 3342 3349 CONECT 3351 3348 CONECT 3352 3340 CONECT 3353 3298 CONECT 3354 3296 CONECT 3355 3295 CONECT 3356 3295 MASTER 0 0 0 0 0 0 0 0 3351 5 86 27 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 4rww
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
4d3h
RCSB PDB
PDBbind
2BA
4qsh
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PDBbind
2BA
4qsk
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PDBbind
2BA
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PDBbind
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PDBbind
2BA
4yp1
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PDBbind
2BA
5f29
RCSB PDB
PDBbind
2BA
5ks7
RCSB PDB
PDBbind
2BA
5uxf
RCSB PDB
PDBbind
2BA
6a03
RCSB PDB
PDBbind
2BA
Entry Information
PDB ID
4rww
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
L. monocytogenes PstA
Ligand Name
2BA
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=1.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Microbiologyopen Vol. 4: pp. 361-374
Ligand Properties
Formula
C
2
0
H
2
6
N
1
0
O
1
2
P
2
Molecular Weight
660.428
Exact Mass
660.121
No. of atoms
70
No. of bonds
76
Polar Surface Area
343.18
LOGP Value
-5.28 (
Computed with XLOGP3
)
-1.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 7
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]3O[C@H]([C@@H]([C@@H]3OP(OC[C@H]2O[C@H]1n1cnc2c1ncnc2N)(O)O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C20H28N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-36,43-44H,1-2H2,(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8Y3Y7
Entrez Gene ID
NCBI Entrez Gene ID:
61190566
984921
ASD
Information of known allosteric effects of PDB entries
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