Browse entries in the PDBbind-CN Database
HEADER 4WK1_COMPLEX COMPND 4WK1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 GLY LEU VAL PRO ARG GLY SER HIS MET LYS MET ILE ILE SEQRES 2 A 74 ALA ILE VAL GLN ASP GLN ASP SER GLN GLU LEU ALA ASP SEQRES 3 A 74 GLN LEU VAL LYS ASN ASN PHE ARG ALA THR LYS LEU ALA SEQRES 4 A 74 THR THR GLY GLY PHE LEU ARG ALA GLY ASN THR THR PHE SEQRES 5 A 74 LEU CYS GLY VAL ASN ASP ASP ARG VAL ASP GLU ILE LEU SEQRES 6 A 74 SER VAL ILE ASN GLN THR CYS GLY ASN SEQRES 1 A 18 GLU VAL GLY GLY ALA THR VAL PHE VAL MET PRO VAL ASP SEQRES 2 A 18 ALA PHE HIS GLN PHE SEQRES 1 B 74 GLY LEU VAL PRO ARG GLY SER HIS MET LYS MET ILE ILE SEQRES 2 B 74 ALA ILE VAL GLN ASP GLN ASP SER GLN GLU LEU ALA ASP SEQRES 3 B 74 GLN LEU VAL LYS ASN ASN PHE ARG ALA THR LYS LEU ALA SEQRES 4 B 74 THR THR GLY GLY PHE LEU ARG ALA GLY ASN THR THR PHE SEQRES 5 B 74 LEU CYS GLY VAL ASN ASP ASP ARG VAL ASP GLU ILE LEU SEQRES 6 B 74 SER VAL ILE ASN GLN THR CYS GLY ASN SEQRES 1 B 18 GLU VAL GLY GLY ALA THR VAL PHE VAL MET PRO VAL ASP SEQRES 2 B 18 ALA PHE HIS GLN PHE SEQRES 1 C 74 GLY LEU VAL PRO ARG GLY SER HIS MET LYS MET ILE ILE SEQRES 2 C 74 ALA ILE VAL GLN ASP GLN ASP SER GLN GLU LEU ALA ASP SEQRES 3 C 74 GLN LEU VAL LYS ASN ASN PHE ARG ALA THR LYS LEU ALA SEQRES 4 C 74 THR THR GLY GLY PHE LEU ARG ALA GLY ASN THR THR PHE SEQRES 5 C 74 LEU CYS GLY VAL ASN ASP ASP ARG VAL ASP GLU ILE LEU SEQRES 6 C 74 SER VAL ILE ASN GLN THR CYS GLY ASN SEQRES 1 C 18 GLU VAL GLY GLY ALA THR VAL PHE VAL MET PRO VAL ASP SEQRES 2 C 18 ALA PHE HIS GLN PHE HET CA A 1 1 HET UNN A 345 66 ATOM 1 N GLY A -7 -16.718 -37.567 -3.231 1.00 91.68 N ATOM 2 CA GLY A -7 -16.481 -37.456 -1.802 1.00 89.79 C ATOM 3 C GLY A -7 -17.182 -36.257 -1.189 1.00 87.21 C ATOM 4 O GLY A -7 -18.397 -36.121 -1.291 1.00100.08 O ATOM 5 HN3 GLY A -7 -16.367 -36.712 -3.707 1.00 0.00 H ATOM 6 HN2 GLY A -7 -17.738 -37.668 -3.405 1.00 0.00 H ATOM 7 HN1 GLY A -7 -16.218 -38.401 -3.600 1.00 0.00 H ATOM 8 N LEU A -6 -16.412 -35.389 -0.542 1.00 78.82 N ATOM 9 CA LEU A -6 -16.929 -34.125 -0.026 1.00 79.03 C ATOM 10 C LEU A -6 -16.322 -32.980 -0.839 1.00 82.76 C ATOM 11 O LEU A -6 -16.419 -31.808 -0.462 1.00 92.62 O ATOM 12 CB LEU A -6 -16.611 -33.967 1.471 1.00 83.78 C ATOM 13 CG LEU A -6 -17.472 -33.026 2.331 1.00 82.59 C ATOM 14 CD1 LEU A -6 -18.923 -33.466 2.318 1.00 85.69 C ATOM 15 CD2 LEU A -6 -16.977 -32.949 3.764 1.00 71.35 C ATOM 16 H LEU A -6 -15.408 -35.618 -0.398 1.00 0.00 H ATOM 17 N VAL A -5 -15.699 -33.332 -1.964 1.00 61.73 N ATOM 18 CA VAL A -5 -15.012 -32.353 -2.802 1.00 62.42 C ATOM 19 C VAL A -5 -15.724 -32.231 -4.153 1.00 62.84 C ATOM 20 O VAL A -5 -16.084 -33.239 -4.778 1.00 65.29 O ATOM 21 CB VAL A -5 -13.498 -32.718 -2.973 1.00 70.64 C ATOM 22 CG1 VAL A -5 -13.111 -33.851 -2.031 1.00 66.81 C ATOM 23 CG2 VAL A -5 -13.140 -33.075 -4.411 1.00 67.04 C ATOM 24 H VAL A -5 -15.702 -34.331 -2.253 1.00 0.00 H ATOM 25 N PRO A -4 -15.991 -30.985 -4.578 1.00 66.74 N ATOM 26 CA PRO A -4 -16.719 -30.747 -5.834 1.00 69.49 C ATOM 27 C PRO A -4 -15.893 -31.188 -7.039 1.00 47.89 C ATOM 28 O PRO A -4 -14.667 -31.100 -6.994 1.00 48.81 O ATOM 29 CB PRO A -4 -16.940 -29.222 -5.844 1.00 66.87 C ATOM 30 CG PRO A -4 -16.629 -28.766 -4.436 1.00 61.93 C ATOM 31 CD PRO A -4 -15.615 -29.729 -3.911 1.00 59.85 C ATOM 32 N ARG A -3 -16.550 -31.668 -8.085 1.00 56.22 N ATOM 33 CA ARG A -3 -15.847 -32.054 -9.302 1.00 59.67 C ATOM 34 C ARG A -3 -14.951 -30.922 -9.839 1.00 61.48 C ATOM 35 O ARG A -3 -15.384 -29.781 -9.982 1.00 57.32 O ATOM 36 CB ARG A -3 -16.856 -32.492 -10.366 1.00 67.19 C ATOM 37 CG ARG A -3 -17.528 -33.818 -10.050 1.00 64.33 C ATOM 38 CD ARG A -3 -18.323 -34.338 -11.229 1.00 60.04 C ATOM 39 NE ARG A -3 -19.720 -33.924 -11.173 1.00 69.49 N ATOM 40 CZ ARG A -3 -20.630 -34.504 -10.395 1.00 72.33 C ATOM 41 NH1 ARG A -3 -20.281 -35.513 -9.607 1.00 82.83 N ATOM 42 NH2 ARG A -3 -21.882 -34.072 -10.400 1.00 72.57 N ATOM 43 HE ARG A -3 -20.022 -33.131 -11.775 1.00 0.00 H ATOM 44 HH12 ARG A -3 -20.991 -35.967 -8.998 1.00 0.00 H ATOM 45 HH11 ARG A -3 -19.297 -35.850 -9.598 1.00 0.00 H ATOM 46 HH22 ARG A -3 -22.592 -34.527 -9.791 1.00 0.00 H ATOM 47 HH21 ARG A -3 -22.156 -33.278 -11.013 1.00 0.00 H ATOM 48 H ARG A -3 -17.584 -31.771 -8.037 1.00 0.00 H ATOM 49 N GLY A -2 -13.687 -31.239 -10.101 1.00 60.88 N ATOM 50 CA GLY A -2 -12.779 -30.272 -10.689 1.00 55.04 C ATOM 51 C GLY A -2 -11.758 -29.719 -9.715 1.00 57.14 C ATOM 52 O GLY A -2 -10.768 -29.117 -10.125 1.00 65.36 O ATOM 53 H GLY A -2 -13.343 -32.196 -9.881 1.00 0.00 H ATOM 54 N SER A -1 -11.991 -29.911 -8.422 1.00 45.92 N ATOM 55 CA SER A -1 -10.980 -29.527 -7.443 1.00 47.68 C ATOM 56 C SER A -1 -10.371 -30.739 -6.768 1.00 47.25 C ATOM 57 O SER A -1 -10.778 -31.876 -6.997 1.00 54.73 O ATOM 58 CB SER A -1 -11.557 -28.569 -6.400 1.00 56.76 C ATOM 59 OG SER A -1 -12.797 -29.026 -5.903 1.00 70.87 O ATOM 60 HG SER A -1 -13.443 -29.101 -6.650 1.00 0.00 H ATOM 61 H SER A -1 -12.889 -30.333 -8.109 1.00 0.00 H ATOM 62 N HIS A 0 -9.365 -30.484 -5.947 1.00 42.80 N ATOM 63 CA HIS A 0 -8.657 -31.532 -5.248 1.00 50.78 C ATOM 64 C HIS A 0 -8.311 -31.070 -3.843 1.00 48.45 C ATOM 65 O HIS A 0 -8.210 -29.864 -3.594 1.00 48.66 O ATOM 66 CB HIS A 0 -7.391 -31.913 -6.006 1.00 46.41 C ATOM 67 CG HIS A 0 -7.621 -32.139 -7.464 1.00 59.77 C ATOM 68 ND1 HIS A 0 -7.469 -31.142 -8.402 1.00 71.62 N ATOM 69 CD2 HIS A 0 -8.042 -33.234 -8.138 1.00 65.10 C ATOM 70 CE1 HIS A 0 -7.760 -31.620 -9.599 1.00 77.66 C ATOM 71 NE2 HIS A 0 -8.111 -32.886 -9.467 1.00 78.06 N ATOM 72 H HIS A 0 -9.074 -29.496 -5.800 1.00 0.00 H ATOM 73 N MET A 1 -8.153 -32.037 -2.938 1.00 43.38 N ATOM 74 CA MET A 1 -7.705 -31.788 -1.576 1.00 44.50 C ATOM 75 C MET A 1 -6.230 -32.126 -1.464 1.00 40.04 C ATOM 76 O MET A 1 -5.729 -32.981 -2.192 1.00 39.29 O ATOM 77 CB MET A 1 -8.489 -32.643 -0.567 1.00 49.16 C ATOM 78 CG MET A 1 -9.987 -32.443 -0.589 1.00 60.93 C ATOM 79 SD MET A 1 -10.512 -31.238 0.631 1.00 70.83 S ATOM 80 CE MET A 1 -9.788 -31.924 2.113 1.00 51.40 C ATOM 81 H MET A 1 -8.360 -33.017 -3.219 1.00 0.00 H ATOM 82 N LYS A 2 -5.549 -31.474 -0.529 1.00 37.90 N ATOM 83 CA LYS A 2 -4.213 -31.860 -0.129 1.00 34.00 C ATOM 84 C LYS A 2 -4.200 -32.102 1.373 1.00 35.86 C ATOM 85 O LYS A 2 -5.032 -31.559 2.114 1.00 43.22 O ATOM 86 CB LYS A 2 -3.179 -30.781 -0.480 1.00 35.30 C ATOM 87 CG LYS A 2 -3.108 -30.409 -1.953 1.00 42.08 C ATOM 88 CD LYS A 2 -2.566 -31.551 -2.796 1.00 41.40 C ATOM 89 CE LYS A 2 -2.839 -31.285 -4.285 1.00 43.19 C ATOM 90 NZ LYS A 2 -2.166 -32.305 -5.103 1.00 38.26 N ATOM 91 HZ1 LYS A 2 -1.142 -32.267 -4.928 1.00 0.00 H ATOM 92 HZ2 LYS A 2 -2.528 -33.246 -4.849 1.00 0.00 H ATOM 93 HZ3 LYS A 2 -2.354 -32.120 -6.109 1.00 0.00 H ATOM 94 H LYS A 2 -5.993 -30.655 -0.067 1.00 0.00 H ATOM 95 N MET A 3 -3.243 -32.902 1.822 1.00 36.62 N ATOM 96 CA MET A 3 -3.036 -33.115 3.258 1.00 39.23 C ATOM 97 C MET A 3 -1.781 -32.372 3.667 1.00 40.66 C ATOM 98 O MET A 3 -0.705 -32.586 3.095 1.00 37.04 O ATOM 99 CB MET A 3 -2.922 -34.610 3.589 1.00 35.58 C ATOM 100 CG MET A 3 -2.519 -34.915 5.061 1.00 32.86 C ATOM 101 SD MET A 3 -3.649 -34.179 6.270 1.00 39.25 S ATOM 102 CE MET A 3 -5.159 -35.106 5.975 1.00 42.69 C ATOM 103 H MET A 3 -2.626 -33.389 1.141 1.00 0.00 H ATOM 104 N ILE A 4 -1.930 -31.459 4.619 1.00 36.83 N ATOM 105 CA ILE A 4 -0.796 -30.717 5.142 1.00 30.02 C ATOM 106 C ILE A 4 -0.340 -31.388 6.434 1.00 41.62 C ATOM 107 O ILE A 4 -1.138 -31.581 7.337 1.00 41.29 O ATOM 108 CB ILE A 4 -1.135 -29.248 5.413 1.00 35.85 C ATOM 109 CG1 ILE A 4 -1.066 -28.407 4.131 1.00 49.91 C ATOM 110 CG2 ILE A 4 -0.088 -28.636 6.309 1.00 39.02 C ATOM 111 CD1 ILE A 4 -1.945 -28.848 3.024 1.00 54.60 C ATOM 112 H ILE A 4 -2.880 -31.271 4.999 1.00 0.00 H ATOM 113 N ILE A 5 0.928 -31.773 6.513 1.00 40.43 N ATOM 114 CA ILE A 5 1.465 -32.278 7.781 1.00 34.78 C ATOM 115 C ILE A 5 2.491 -31.283 8.272 1.00 39.25 C ATOM 116 O ILE A 5 3.532 -31.099 7.645 1.00 41.10 O ATOM 117 CB ILE A 5 2.094 -33.668 7.632 1.00 32.90 C ATOM 118 CG1 ILE A 5 1.061 -34.666 7.111 1.00 35.21 C ATOM 119 CG2 ILE A 5 2.704 -34.170 8.983 1.00 30.91 C ATOM 120 CD1 ILE A 5 1.684 -36.029 6.809 1.00 40.11 C ATOM 121 H ILE A 5 1.541 -31.716 5.675 1.00 0.00 H ATOM 122 N ALA A 6 2.191 -30.614 9.384 1.00 36.48 N ATOM 123 CA ALA A 6 3.087 -29.580 9.863 1.00 47.20 C ATOM 124 C ALA A 6 3.616 -29.898 11.244 1.00 39.64 C ATOM 125 O ALA A 6 2.842 -30.022 12.201 1.00 37.03 O ATOM 126 CB ALA A 6 2.385 -28.248 9.868 1.00 45.98 C ATOM 127 H ALA A 6 1.318 -30.832 9.906 1.00 0.00 H ATOM 128 N ILE A 7 4.938 -30.011 11.341 1.00 44.10 N ATOM 129 CA ILE A 7 5.616 -30.219 12.620 1.00 44.84 C ATOM 130 C ILE A 7 6.143 -28.886 13.170 1.00 47.71 C ATOM 131 O ILE A 7 7.002 -28.235 12.558 1.00 40.51 O ATOM 132 CB ILE A 7 6.778 -31.238 12.486 1.00 42.94 C ATOM 133 CG1 ILE A 7 6.259 -32.564 11.907 1.00 40.50 C ATOM 134 CG2 ILE A 7 7.480 -31.449 13.829 1.00 37.99 C ATOM 135 CD1 ILE A 7 6.888 -32.925 10.560 1.00 37.98 C ATOM 136 H ILE A 7 5.511 -29.949 10.475 1.00 0.00 H ATOM 137 N VAL A 8 5.613 -28.480 14.324 1.00 44.19 N ATOM 138 CA VAL A 8 5.937 -27.187 14.924 1.00 42.99 C ATOM 139 C VAL A 8 6.334 -27.340 16.394 1.00 43.77 C ATOM 140 O VAL A 8 6.131 -28.401 16.990 1.00 46.75 O ATOM 141 CB VAL A 8 4.741 -26.206 14.817 1.00 44.50 C ATOM 142 CG1 VAL A 8 4.339 -26.000 13.350 1.00 39.60 C ATOM 143 CG2 VAL A 8 3.548 -26.731 15.607 1.00 43.30 C ATOM 144 H VAL A 8 4.944 -29.107 14.816 1.00 0.00 H ATOM 145 N GLN A 9 6.898 -26.286 16.974 1.00 50.82 N ATOM 146 CA GLN A 9 7.284 -26.303 18.385 1.00 54.82 C ATOM 147 C GLN A 9 6.058 -26.266 19.286 1.00 60.26 C ATOM 148 O GLN A 9 5.062 -25.632 18.947 1.00 55.64 O ATOM 149 CB GLN A 9 8.205 -25.120 18.714 1.00 53.32 C ATOM 150 CG GLN A 9 9.497 -25.095 17.912 1.00 73.88 C ATOM 151 CD GLN A 9 10.323 -26.369 18.068 1.00 84.42 C ATOM 152 OE1 GLN A 9 10.254 -27.054 19.090 1.00 85.71 O ATOM 153 NE2 GLN A 9 11.109 -26.688 17.046 1.00 89.97 N ATOM 154 HE22 GLN A 9 11.137 -26.081 16.202 1.00 0.00 H ATOM 155 HE21 GLN A 9 11.697 -27.545 17.090 1.00 0.00 H ATOM 156 H GLN A 9 7.069 -25.428 16.411 1.00 0.00 H ATOM 157 N ASP A 10 6.137 -26.929 20.436 1.00 58.61 N ATOM 158 CA ASP A 10 5.011 -26.979 21.368 1.00 52.10 C ATOM 159 C ASP A 10 4.555 -25.587 21.787 1.00 51.42 C ATOM 160 O ASP A 10 3.358 -25.326 21.954 1.00 56.90 O ATOM 161 CB ASP A 10 5.370 -27.798 22.614 1.00 60.99 C ATOM 162 CG ASP A 10 5.074 -29.273 22.445 1.00 70.80 C ATOM 163 OD1 ASP A 10 4.335 -29.629 21.499 1.00 72.52 O ATOM 164 OD2 ASP A 10 5.564 -30.074 23.267 1.00 82.97 O ATOM 165 H ASP A 10 7.019 -27.423 20.678 1.00 0.00 H ATOM 166 N GLN A 11 5.515 -24.689 21.944 1.00 50.33 N ATOM 167 CA GLN A 11 5.224 -23.359 22.456 1.00 53.76 C ATOM 168 C GLN A 11 4.528 -22.486 21.423 1.00 58.80 C ATOM 169 O GLN A 11 4.074 -21.396 21.737 1.00 67.74 O ATOM 170 CB GLN A 11 6.510 -22.686 22.921 1.00 71.67 C ATOM 171 CG GLN A 11 7.489 -22.398 21.800 1.00 71.85 C ATOM 172 CD GLN A 11 8.803 -21.864 22.326 1.00 85.25 C ATOM 173 OE1 GLN A 11 9.145 -22.069 23.491 1.00 93.75 O ATOM 174 NE2 GLN A 11 9.543 -21.165 21.474 1.00 95.59 N ATOM 175 HE22 GLN A 11 9.213 -21.017 20.499 1.00 0.00 H ATOM 176 HE21 GLN A 11 10.452 -20.765 21.782 1.00 0.00 H ATOM 177 H GLN A 11 6.494 -24.939 21.697 1.00 0.00 H ATOM 178 N ASP A 12 4.466 -22.959 20.183 1.00 55.67 N ATOM 179 CA ASP A 12 3.768 -22.243 19.124 1.00 56.93 C ATOM 180 C ASP A 12 2.430 -22.899 18.743 1.00 50.34 C ATOM 181 O ASP A 12 1.658 -22.312 17.990 1.00 56.31 O ATOM 182 CB ASP A 12 4.647 -22.139 17.869 1.00 50.58 C ATOM 183 CG ASP A 12 5.812 -21.180 18.034 1.00 59.75 C ATOM 184 OD1 ASP A 12 5.874 -20.438 19.042 1.00 60.37 O ATOM 185 OD2 ASP A 12 6.677 -21.169 17.137 1.00 65.87 O ATOM 186 H ASP A 12 4.928 -23.864 19.963 1.00 0.00 H ATOM 187 N SER A 13 2.150 -24.098 19.252 1.00 48.90 N ATOM 188 CA SER A 13 0.970 -24.855 18.795 1.00 51.90 C ATOM 189 C SER A 13 -0.343 -24.138 19.113 1.00 49.76 C ATOM 190 O SER A 13 -1.289 -24.173 18.333 1.00 61.43 O ATOM 191 CB SER A 13 0.960 -26.259 19.405 1.00 60.10 C ATOM 192 OG SER A 13 0.811 -26.209 20.811 1.00 74.56 O ATOM 193 HG SER A 13 1.564 -25.700 21.204 1.00 0.00 H ATOM 194 H SER A 13 2.771 -24.505 19.980 1.00 0.00 H ATOM 195 N GLN A 14 -0.381 -23.480 20.262 1.00 56.13 N ATOM 196 CA GLN A 14 -1.536 -22.706 20.675 1.00 60.17 C ATOM 197 C GLN A 14 -1.840 -21.561 19.700 1.00 60.52 C ATOM 198 O GLN A 14 -2.991 -21.353 19.320 1.00 60.19 O ATOM 199 CB GLN A 14 -1.304 -22.173 22.089 1.00 60.64 C ATOM 200 CG GLN A 14 -1.250 -23.275 23.153 1.00 63.18 C ATOM 201 CD GLN A 14 0.094 -24.011 23.244 1.00 63.32 C ATOM 202 OE1 GLN A 14 1.035 -23.748 22.486 1.00 51.38 O ATOM 203 NE2 GLN A 14 0.182 -24.938 24.192 1.00 69.77 N ATOM 204 HE22 GLN A 14 -0.633 -25.129 24.809 1.00 0.00 H ATOM 205 HE21 GLN A 14 1.066 -25.472 24.317 1.00 0.00 H ATOM 206 H GLN A 14 0.447 -23.520 20.890 1.00 0.00 H ATOM 207 N GLU A 15 -0.810 -20.826 19.287 1.00 55.53 N ATOM 208 CA GLU A 15 -1.003 -19.701 18.370 1.00 60.62 C ATOM 209 C GLU A 15 -1.447 -20.166 16.974 1.00 56.91 C ATOM 210 O GLU A 15 -2.257 -19.496 16.322 1.00 53.21 O ATOM 211 CB GLU A 15 0.275 -18.868 18.245 1.00 53.17 C ATOM 212 CG GLU A 15 0.605 -17.979 19.448 1.00 57.61 C ATOM 213 CD GLU A 15 1.332 -18.705 20.579 1.00 69.71 C ATOM 214 OE1 GLU A 15 1.622 -18.027 21.594 1.00 77.64 O ATOM 215 OE2 GLU A 15 1.603 -19.932 20.467 1.00 55.15 O ATOM 216 H GLU A 15 0.148 -21.055 19.621 1.00 0.00 H ATOM 217 N LEU A 16 -0.906 -21.288 16.504 1.00 57.39 N ATOM 218 CA LEU A 16 -1.271 -21.801 15.180 1.00 51.44 C ATOM 219 C LEU A 16 -2.718 -22.285 15.149 1.00 57.64 C ATOM 220 O LEU A 16 -3.458 -21.973 14.212 1.00 55.05 O ATOM 221 CB LEU A 16 -0.333 -22.940 14.740 1.00 45.53 C ATOM 222 CG LEU A 16 -0.695 -23.636 13.420 1.00 46.09 C ATOM 223 CD1 LEU A 16 -0.659 -22.644 12.254 1.00 46.42 C ATOM 224 CD2 LEU A 16 0.207 -24.841 13.131 1.00 45.77 C ATOM 225 H LEU A 16 -0.216 -21.807 17.083 1.00 0.00 H ATOM 226 N ALA A 17 -3.109 -23.055 16.164 1.00 62.02 N ATOM 227 CA ALA A 17 -4.478 -23.554 16.285 1.00 58.56 C ATOM 228 C ALA A 17 -5.495 -22.414 16.261 1.00 56.35 C ATOM 229 O ALA A 17 -6.528 -22.512 15.605 1.00 58.19 O ATOM 230 CB ALA A 17 -4.638 -24.376 17.561 1.00 58.20 C ATOM 231 H ALA A 17 -2.416 -23.310 16.896 1.00 0.00 H ATOM 232 N ASP A 18 -5.205 -21.330 16.969 1.00 58.49 N ATOM 233 CA ASP A 18 -6.135 -20.199 16.993 1.00 62.14 C ATOM 234 C ASP A 18 -6.225 -19.483 15.635 1.00 65.32 C ATOM 235 O ASP A 18 -7.306 -19.068 15.225 1.00 54.20 O ATOM 236 CB ASP A 18 -5.759 -19.208 18.103 1.00 81.54 C ATOM 237 CG ASP A 18 -6.297 -19.628 19.467 1.00103.57 C ATOM 238 OD1 ASP A 18 -7.476 -20.041 19.535 1.00113.55 O ATOM 239 OD2 ASP A 18 -5.551 -19.544 20.467 1.00108.44 O ATOM 240 H ASP A 18 -4.316 -21.283 17.507 1.00 0.00 H ATOM 241 N GLN A 19 -5.105 -19.371 14.923 1.00 58.57 N ATOM 242 CA GLN A 19 -5.085 -18.636 13.655 1.00 58.64 C ATOM 243 C GLN A 19 -5.688 -19.459 12.517 1.00 58.67 C ATOM 244 O GLN A 19 -6.250 -18.907 11.564 1.00 57.41 O ATOM 245 CB GLN A 19 -3.655 -18.216 13.302 1.00 66.36 C ATOM 246 CG GLN A 19 -3.555 -17.198 12.177 1.00 77.20 C ATOM 247 CD GLN A 19 -4.047 -15.813 12.565 1.00 75.25 C ATOM 248 OE1 GLN A 19 -4.245 -15.512 13.742 1.00 78.19 O ATOM 249 NE2 GLN A 19 -4.252 -14.962 11.566 1.00 83.51 N ATOM 250 HE22 GLN A 19 -4.072 -15.258 10.585 1.00 0.00 H ATOM 251 HE21 GLN A 19 -4.593 -14.000 11.764 1.00 0.00 H ATOM 252 H GLN A 19 -4.230 -19.812 15.272 1.00 0.00 H ATOM 253 N LEU A 20 -5.565 -20.780 12.616 1.00 46.32 N ATOM 254 CA LEU A 20 -6.226 -21.681 11.683 1.00 50.43 C ATOM 255 C LEU A 20 -7.741 -21.595 11.857 1.00 61.67 C ATOM 256 O LEU A 20 -8.495 -21.634 10.884 1.00 58.51 O ATOM 257 CB LEU A 20 -5.747 -23.119 11.892 1.00 43.89 C ATOM 258 CG LEU A 20 -4.305 -23.474 11.501 1.00 50.81 C ATOM 259 CD1 LEU A 20 -3.962 -24.904 11.940 1.00 46.87 C ATOM 260 CD2 LEU A 20 -4.050 -23.299 9.995 1.00 46.42 C ATOM 261 H LEU A 20 -4.982 -21.179 13.379 1.00 0.00 H ATOM 262 N VAL A 21 -8.181 -21.482 13.105 1.00 63.91 N ATOM 263 CA VAL A 21 -9.605 -21.376 13.399 1.00 56.87 C ATOM 264 C VAL A 21 -10.159 -20.079 12.834 1.00 56.73 C ATOM 265 O VAL A 21 -11.182 -20.093 12.146 1.00 59.07 O ATOM 266 CB VAL A 21 -9.881 -21.465 14.915 1.00 55.23 C ATOM 267 CG1 VAL A 21 -11.251 -20.862 15.263 1.00 59.53 C ATOM 268 CG2 VAL A 21 -9.782 -22.921 15.373 1.00 62.11 C ATOM 269 H VAL A 21 -7.496 -21.469 13.888 1.00 0.00 H ATOM 270 N LYS A 22 -9.473 -18.968 13.104 1.00 53.83 N ATOM 271 CA LYS A 22 -9.890 -17.658 12.597 1.00 59.14 C ATOM 272 C LYS A 22 -10.029 -17.657 11.066 1.00 63.02 C ATOM 273 O LYS A 22 -10.905 -16.986 10.516 1.00 70.11 O ATOM 274 CB LYS A 22 -8.902 -16.575 13.045 1.00 67.64 C ATOM 275 CG LYS A 22 -8.849 -15.344 12.145 1.00 77.50 C ATOM 276 CD LYS A 22 -8.396 -14.103 12.891 1.00 73.38 C ATOM 277 CE LYS A 22 -8.649 -12.852 12.063 1.00 73.06 C ATOM 278 NZ LYS A 22 -8.883 -11.650 12.907 1.00 77.47 N ATOM 279 HZ1 LYS A 22 -9.714 -11.809 13.512 1.00 0.00 H ATOM 280 HZ2 LYS A 22 -8.048 -11.478 13.502 1.00 0.00 H ATOM 281 HZ3 LYS A 22 -9.050 -10.826 12.295 1.00 0.00 H ATOM 282 H LYS A 22 -8.617 -19.033 13.691 1.00 0.00 H ATOM 283 N ASN A 23 -9.186 -18.443 10.399 1.00 61.32 N ATOM 284 CA ASN A 23 -9.129 -18.494 8.939 1.00 61.96 C ATOM 285 C ASN A 23 -9.926 -19.644 8.294 1.00 58.69 C ATOM 286 O ASN A 23 -9.706 -19.969 7.129 1.00 55.02 O ATOM 287 CB ASN A 23 -7.663 -18.586 8.493 1.00 58.65 C ATOM 288 CG ASN A 23 -6.868 -17.325 8.817 1.00 63.46 C ATOM 289 OD1 ASN A 23 -6.981 -16.320 8.123 1.00 64.17 O ATOM 290 ND2 ASN A 23 -6.051 -17.381 9.862 1.00 64.99 N ATOM 291 HD22 ASN A 23 -5.985 -18.253 10.424 1.00 0.00 H ATOM 292 HD21 ASN A 23 -5.477 -16.553 10.118 1.00 0.00 H ATOM 293 H ASN A 23 -8.538 -19.049 10.942 1.00 0.00 H ATOM 294 N ASN A 24 -10.836 -20.253 9.057 1.00 57.61 N ATOM 295 CA ASN A 24 -11.728 -21.324 8.575 1.00 66.87 C ATOM 296 C ASN A 24 -11.015 -22.584 8.054 1.00 66.45 C ATOM 297 O ASN A 24 -11.538 -23.275 7.171 1.00 68.02 O ATOM 298 CB ASN A 24 -12.662 -20.795 7.476 1.00 60.59 C ATOM 299 CG ASN A 24 -13.328 -19.482 7.851 1.00 76.43 C ATOM 300 OD1 ASN A 24 -13.949 -19.362 8.912 1.00 75.42 O ATOM 301 ND2 ASN A 24 -13.195 -18.483 6.978 1.00 73.87 N ATOM 302 HD22 ASN A 24 -12.663 -18.630 6.097 1.00 0.00 H ATOM 303 HD21 ASN A 24 -13.623 -17.557 7.178 1.00 0.00 H ATOM 304 H ASN A 24 -10.921 -19.955 10.050 1.00 0.00 H ATOM 305 N PHE A 25 -9.833 -22.874 8.601 1.00 55.90 N ATOM 306 CA PHE A 25 -9.149 -24.145 8.367 1.00 57.23 C ATOM 307 C PHE A 25 -9.462 -25.133 9.485 1.00 59.89 C ATOM 308 O PHE A 25 -9.490 -24.754 10.651 1.00 52.77 O ATOM 309 CB PHE A 25 -7.628 -23.956 8.279 1.00 54.64 C ATOM 310 CG PHE A 25 -7.176 -23.207 7.065 1.00 50.15 C ATOM 311 CD1 PHE A 25 -7.264 -23.784 5.807 1.00 45.12 C ATOM 312 CD2 PHE A 25 -6.649 -21.930 7.179 1.00 46.40 C ATOM 313 CE1 PHE A 25 -6.839 -23.089 4.687 1.00 44.35 C ATOM 314 CE2 PHE A 25 -6.228 -21.228 6.056 1.00 50.49 C ATOM 315 CZ PHE A 25 -6.322 -21.808 4.815 1.00 52.69 C ATOM 316 H PHE A 25 -9.381 -22.169 9.217 1.00 0.00 H ATOM 317 N ARG A 26 -9.675 -26.397 9.132 1.00 43.32 N ATOM 318 CA ARG A 26 -9.886 -27.451 10.130 1.00 48.48 C ATOM 319 C ARG A 26 -8.543 -28.127 10.418 1.00 55.29 C ATOM 320 O ARG A 26 -7.676 -28.168 9.545 1.00 49.17 O ATOM 321 CB ARG A 26 -10.922 -28.482 9.645 1.00 45.32 C ATOM 322 CG ARG A 26 -12.391 -28.174 9.991 1.00 44.55 C ATOM 323 CD ARG A 26 -12.877 -26.892 9.307 1.00 52.08 C ATOM 324 NE ARG A 26 -14.333 -26.760 9.343 1.00 52.19 N ATOM 325 CZ ARG A 26 -14.995 -25.672 8.958 1.00 55.28 C ATOM 326 NH1 ARG A 26 -14.325 -24.613 8.523 1.00 58.20 N ATOM 327 NH2 ARG A 26 -16.324 -25.638 9.019 1.00 49.65 N ATOM 328 HE ARG A 26 -14.886 -27.568 9.692 1.00 0.00 H ATOM 329 HH12 ARG A 26 -14.839 -23.761 8.221 1.00 0.00 H ATOM 330 HH11 ARG A 26 -13.286 -24.635 8.484 1.00 0.00 H ATOM 331 HH22 ARG A 26 -16.837 -24.785 8.717 1.00 0.00 H ATOM 332 HH21 ARG A 26 -16.850 -26.464 9.369 1.00 0.00 H ATOM 333 H ARG A 26 -9.692 -26.645 8.122 1.00 0.00 H ATOM 334 N ALA A 27 -8.359 -28.660 11.629 1.00 44.36 N ATOM 335 CA ALA A 27 -7.070 -29.268 11.993 1.00 40.99 C ATOM 336 C ALA A 27 -7.196 -30.352 13.063 1.00 41.78 C ATOM 337 O ALA A 27 -8.106 -30.317 13.877 1.00 42.33 O ATOM 338 CB ALA A 27 -6.104 -28.198 12.469 1.00 47.39 C ATOM 339 H ALA A 27 -9.135 -28.645 12.321 1.00 0.00 H ATOM 340 N THR A 28 -6.278 -31.315 13.028 1.00 37.28 N ATOM 341 CA THR A 28 -6.170 -32.342 14.054 1.00 44.19 C ATOM 342 C THR A 28 -4.729 -32.302 14.578 1.00 43.59 C ATOM 343 O THR A 28 -3.801 -32.247 13.778 1.00 44.43 O ATOM 344 CB THR A 28 -6.531 -33.729 13.490 1.00 38.83 C ATOM 345 OG1 THR A 28 -7.917 -33.737 13.109 1.00 41.30 O ATOM 346 CG2 THR A 28 -6.302 -34.816 14.530 1.00 40.28 C ATOM 347 HG1 THR A 28 -8.153 -34.627 12.746 1.00 0.00 H ATOM 348 H THR A 28 -5.608 -31.335 12.233 1.00 0.00 H ATOM 349 N LYS A 29 -4.551 -32.275 15.902 1.00 38.53 N ATOM 350 CA LYS A 29 -3.223 -32.141 16.518 1.00 39.42 C ATOM 351 C LYS A 29 -2.744 -33.430 17.165 1.00 44.34 C ATOM 352 O LYS A 29 -3.518 -34.129 17.834 1.00 46.11 O ATOM 353 CB LYS A 29 -3.202 -31.059 17.618 1.00 48.93 C ATOM 354 CG LYS A 29 -3.837 -29.729 17.301 1.00 62.38 C ATOM 355 CD LYS A 29 -3.357 -28.639 18.289 1.00 73.52 C ATOM 356 CE LYS A 29 -3.669 -28.930 19.757 1.00 81.93 C ATOM 357 NZ LYS A 29 -2.596 -29.695 20.469 1.00 83.57 N ATOM 358 HZ1 LYS A 29 -2.454 -30.611 19.998 1.00 0.00 H ATOM 359 HZ2 LYS A 29 -1.710 -29.151 20.445 1.00 0.00 H ATOM 360 HZ3 LYS A 29 -2.881 -29.852 21.457 1.00 0.00 H ATOM 361 H LYS A 29 -5.384 -32.352 16.520 1.00 0.00 H ATOM 362 N LEU A 30 -1.448 -33.687 17.029 1.00 39.73 N ATOM 363 CA LEU A 30 -0.788 -34.886 17.561 1.00 47.11 C ATOM 364 C LEU A 30 0.366 -34.447 18.455 1.00 44.44 C ATOM 365 O LEU A 30 1.234 -33.713 18.000 1.00 46.16 O ATOM 366 CB LEU A 30 -0.229 -35.782 16.422 1.00 36.23 C ATOM 367 CG LEU A 30 -1.092 -36.581 15.455 1.00 48.64 C ATOM 368 CD1 LEU A 30 -2.170 -35.706 14.815 1.00 41.34 C ATOM 369 CD2 LEU A 30 -0.210 -37.186 14.360 1.00 49.04 C ATOM 370 H LEU A 30 -0.865 -32.997 16.514 1.00 0.00 H ATOM 371 N ALA A 31 0.393 -34.880 19.707 1.00 48.81 N ATOM 372 CA ALA A 31 1.584 -34.679 20.534 1.00 48.80 C ATOM 373 C ALA A 31 2.653 -35.621 20.005 1.00 52.52 C ATOM 374 O ALA A 31 2.466 -36.840 20.015 1.00 50.58 O ATOM 375 CB ALA A 31 1.283 -34.928 21.997 1.00 56.58 C ATOM 376 H ALA A 31 -0.437 -35.365 20.104 1.00 0.00 H ATOM 377 N THR A 32 3.755 -35.074 19.499 1.00 42.86 N ATOM 378 CA THR A 32 4.804 -35.934 18.956 1.00 42.39 C ATOM 379 C THR A 32 6.129 -35.669 19.641 1.00 46.73 C ATOM 380 O THR A 32 6.207 -34.891 20.580 1.00 45.12 O ATOM 381 CB THR A 32 4.972 -35.746 17.449 1.00 40.91 C ATOM 382 OG1 THR A 32 5.094 -34.351 17.147 1.00 47.72 O ATOM 383 CG2 THR A 32 3.750 -36.278 16.724 1.00 41.18 C ATOM 384 HG1 THR A 32 5.884 -33.981 17.615 1.00 0.00 H ATOM 385 H THR A 32 3.869 -34.040 19.490 1.00 0.00 H ATOM 386 N THR A 33 7.173 -36.329 19.167 1.00 43.43 N ATOM 387 CA THR A 33 8.499 -36.044 19.679 1.00 37.07 C ATOM 388 C THR A 33 9.515 -36.144 18.546 1.00 47.47 C ATOM 389 O THR A 33 9.319 -36.876 17.563 1.00 45.83 O ATOM 390 CB THR A 33 8.871 -36.983 20.841 1.00 47.08 C ATOM 391 OG1 THR A 33 9.954 -36.418 21.577 1.00 51.53 O ATOM 392 CG2 THR A 33 9.263 -38.350 20.339 1.00 36.59 C ATOM 393 HG1 THR A 33 9.683 -35.537 21.937 1.00 0.00 H ATOM 394 H THR A 33 7.043 -37.050 18.429 1.00 0.00 H ATOM 395 N GLY A 34 10.572 -35.340 18.649 1.00 50.11 N ATOM 396 CA GLY A 34 11.569 -35.258 17.591 1.00 48.90 C ATOM 397 C GLY A 34 12.585 -36.381 17.677 1.00 45.47 C ATOM 398 O GLY A 34 12.961 -36.802 18.765 1.00 51.01 O ATOM 399 H GLY A 34 10.688 -34.758 19.503 1.00 0.00 H ATOM 400 N GLY A 35 13.031 -36.874 16.530 1.00 48.76 N ATOM 401 CA GLY A 35 13.976 -37.975 16.518 1.00 50.23 C ATOM 402 C GLY A 35 15.343 -37.575 17.020 1.00 54.63 C ATOM 403 O GLY A 35 16.039 -38.379 17.640 1.00 51.71 O ATOM 404 H GLY A 35 12.701 -36.468 15.631 1.00 0.00 H ATOM 405 N PHE A 36 15.736 -36.328 16.759 1.00 43.26 N ATOM 406 CA PHE A 36 17.089 -35.888 17.077 1.00 54.86 C ATOM 407 C PHE A 36 17.233 -35.382 18.515 1.00 55.13 C ATOM 408 O PHE A 36 18.091 -35.853 19.261 1.00 53.68 O ATOM 409 CB PHE A 36 17.538 -34.803 16.091 1.00 53.64 C ATOM 410 CG PHE A 36 18.968 -34.369 16.279 1.00 59.43 C ATOM 411 CD1 PHE A 36 20.011 -35.183 15.872 1.00 62.36 C ATOM 412 CD2 PHE A 36 19.268 -33.145 16.858 1.00 61.67 C ATOM 413 CE1 PHE A 36 21.334 -34.788 16.045 1.00 78.20 C ATOM 414 CE2 PHE A 36 20.588 -32.740 17.036 1.00 68.06 C ATOM 415 CZ PHE A 36 21.624 -33.561 16.628 1.00 70.85 C ATOM 416 H PHE A 36 15.069 -35.660 16.323 1.00 0.00 H ATOM 417 N LEU A 37 16.403 -34.423 18.912 1.00 52.39 N ATOM 418 CA LEU A 37 16.544 -33.839 20.244 1.00 62.84 C ATOM 419 C LEU A 37 15.734 -34.616 21.277 1.00 61.03 C ATOM 420 O LEU A 37 15.933 -34.451 22.481 1.00 57.93 O ATOM 421 CB LEU A 37 16.126 -32.368 20.229 1.00 59.58 C ATOM 422 CG LEU A 37 17.074 -31.489 19.415 1.00 56.37 C ATOM 423 CD1 LEU A 37 16.603 -30.046 19.413 1.00 65.60 C ATOM 424 CD2 LEU A 37 18.487 -31.600 19.945 1.00 56.08 C ATOM 425 H LEU A 37 15.653 -34.088 18.274 1.00 0.00 H ATOM 426 N ARG A 38 14.823 -35.455 20.788 1.00 54.20 N ATOM 427 CA ARG A 38 14.002 -36.321 21.630 1.00 59.58 C ATOM 428 C ARG A 38 13.216 -35.527 22.670 1.00 66.12 C ATOM 429 O ARG A 38 13.125 -35.910 23.843 1.00 56.28 O ATOM 430 CB ARG A 38 14.876 -37.396 22.293 1.00 70.06 C ATOM 431 CG ARG A 38 15.228 -38.533 21.334 1.00 85.51 C ATOM 432 CD ARG A 38 16.304 -39.471 21.864 1.00102.16 C ATOM 433 NE ARG A 38 16.716 -40.427 20.835 1.00106.42 N ATOM 434 CZ ARG A 38 17.623 -40.179 19.893 1.00104.08 C ATOM 435 NH1 ARG A 38 18.242 -39.007 19.847 1.00104.72 N ATOM 436 NH2 ARG A 38 17.921 -41.111 19.001 1.00101.28 N ATOM 437 HE ARG A 38 16.269 -41.366 20.840 1.00 0.00 H ATOM 438 HH12 ARG A 38 18.949 -38.821 19.108 1.00 0.00 H ATOM 439 HH11 ARG A 38 18.020 -38.274 20.550 1.00 0.00 H ATOM 440 HH22 ARG A 38 18.630 -40.918 18.265 1.00 0.00 H ATOM 441 HH21 ARG A 38 17.447 -42.036 19.037 1.00 0.00 H ATOM 442 H ARG A 38 14.690 -35.496 19.757 1.00 0.00 H ATOM 443 N ALA A 39 12.653 -34.412 22.223 1.00 55.65 N ATOM 444 CA ALA A 39 11.810 -33.578 23.069 1.00 61.14 C ATOM 445 C ALA A 39 10.452 -33.427 22.416 1.00 56.78 C ATOM 446 O ALA A 39 10.308 -33.635 21.205 1.00 50.14 O ATOM 447 CB ALA A 39 12.449 -32.220 23.301 1.00 67.91 C ATOM 448 H ALA A 39 12.819 -34.124 21.237 1.00 0.00 H ATOM 449 N GLY A 40 9.451 -33.077 23.210 1.00 51.33 N ATOM 450 CA GLY A 40 8.102 -32.994 22.687 1.00 50.02 C ATOM 451 C GLY A 40 7.972 -31.920 21.626 1.00 49.51 C ATOM 452 O GLY A 40 8.606 -30.870 21.707 1.00 51.99 O ATOM 453 H GLY A 40 9.634 -32.861 24.211 1.00 0.00 H ATOM 454 N ASN A 41 7.184 -32.200 20.599 1.00 46.70 N ATOM 455 CA ASN A 41 6.744 -31.157 19.683 1.00 50.70 C ATOM 456 C ASN A 41 5.323 -31.503 19.243 1.00 47.75 C ATOM 457 O ASN A 41 4.730 -32.448 19.749 1.00 42.06 O ATOM 458 CB ASN A 41 7.707 -30.972 18.492 1.00 55.55 C ATOM 459 CG ASN A 41 8.060 -32.277 17.773 1.00 54.05 C ATOM 460 OD1 ASN A 41 7.324 -33.266 17.825 1.00 41.11 O ATOM 461 ND2 ASN A 41 9.205 -32.269 17.078 1.00 48.11 N ATOM 462 HD22 ASN A 41 9.797 -31.414 17.060 1.00 0.00 H ATOM 463 HD21 ASN A 41 9.502 -33.118 16.556 1.00 0.00 H ATOM 464 H ASN A 41 6.874 -33.181 20.444 1.00 0.00 H ATOM 465 N THR A 42 4.748 -30.706 18.359 1.00 43.64 N ATOM 466 CA THR A 42 3.354 -30.913 17.976 1.00 39.58 C ATOM 467 C THR A 42 3.233 -31.104 16.470 1.00 40.47 C ATOM 468 O THR A 42 3.825 -30.348 15.689 1.00 43.88 O ATOM 469 CB THR A 42 2.475 -29.721 18.429 1.00 42.03 C ATOM 470 OG1 THR A 42 2.565 -29.574 19.847 1.00 45.99 O ATOM 471 CG2 THR A 42 1.013 -29.927 18.044 1.00 40.08 C ATOM 472 HG1 THR A 42 3.507 -29.405 20.101 1.00 0.00 H ATOM 473 H THR A 42 5.291 -29.928 17.934 1.00 0.00 H ATOM 474 N THR A 43 2.478 -32.120 16.058 1.00 43.23 N ATOM 475 CA THR A 43 2.197 -32.320 14.643 1.00 40.55 C ATOM 476 C THR A 43 0.714 -32.054 14.352 1.00 41.32 C ATOM 477 O THR A 43 -0.166 -32.615 15.013 1.00 42.34 O ATOM 478 CB THR A 43 2.607 -33.746 14.197 1.00 43.13 C ATOM 479 OG1 THR A 43 4.000 -33.930 14.474 1.00 42.84 O ATOM 480 CG2 THR A 43 2.404 -33.944 12.695 1.00 30.64 C ATOM 481 HG1 THR A 43 4.159 -33.822 15.445 1.00 0.00 H ATOM 482 H THR A 43 2.083 -32.781 16.757 1.00 0.00 H ATOM 483 N PHE A 44 0.454 -31.152 13.397 1.00 36.34 N ATOM 484 CA PHE A 44 -0.896 -30.863 12.906 1.00 32.51 C ATOM 485 C PHE A 44 -1.179 -31.609 11.601 1.00 38.99 C ATOM 486 O PHE A 44 -0.330 -31.643 10.692 1.00 38.71 O ATOM 487 CB PHE A 44 -1.093 -29.364 12.632 1.00 30.29 C ATOM 488 CG PHE A 44 -1.217 -28.508 13.863 1.00 40.30 C ATOM 489 CD1 PHE A 44 -0.104 -28.188 14.622 1.00 49.03 C ATOM 490 CD2 PHE A 44 -2.443 -27.964 14.219 1.00 45.03 C ATOM 491 CE1 PHE A 44 -0.223 -27.383 15.757 1.00 42.92 C ATOM 492 CE2 PHE A 44 -2.565 -27.154 15.340 1.00 53.28 C ATOM 493 CZ PHE A 44 -1.456 -26.863 16.104 1.00 45.63 C ATOM 494 H PHE A 44 1.252 -30.629 12.982 1.00 0.00 H ATOM 495 N LEU A 45 -2.380 -32.168 11.490 1.00 38.52 N ATOM 496 CA LEU A 45 -2.872 -32.672 10.204 1.00 37.47 C ATOM 497 C LEU A 45 -3.994 -31.760 9.681 1.00 38.20 C ATOM 498 O LEU A 45 -4.989 -31.552 10.369 1.00 40.70 O ATOM 499 CB LEU A 45 -3.369 -34.114 10.348 1.00 36.45 C ATOM 500 CG LEU A 45 -2.428 -35.117 11.032 1.00 43.26 C ATOM 501 CD1 LEU A 45 -3.151 -36.479 11.212 1.00 39.20 C ATOM 502 CD2 LEU A 45 -1.104 -35.277 10.247 1.00 32.28 C ATOM 503 H LEU A 45 -2.983 -32.250 12.333 1.00 0.00 H ATOM 504 N CYS A 46 -3.825 -31.196 8.481 1.00 37.05 N ATOM 505 CA CYS A 46 -4.803 -30.254 7.924 1.00 39.08 C ATOM 506 C CYS A 46 -5.215 -30.628 6.503 1.00 39.95 C ATOM 507 O CYS A 46 -4.423 -30.499 5.572 1.00 36.60 O ATOM 508 CB CYS A 46 -4.248 -28.828 7.906 1.00 42.64 C ATOM 509 SG CYS A 46 -3.798 -28.164 9.517 1.00 46.71 S ATOM 510 H CYS A 46 -2.977 -31.431 7.927 1.00 0.00 H ATOM 511 N GLY A 47 -6.443 -31.102 6.351 1.00 34.81 N ATOM 512 CA GLY A 47 -6.998 -31.387 5.036 1.00 36.37 C ATOM 513 C GLY A 47 -7.525 -30.080 4.481 1.00 37.80 C ATOM 514 O GLY A 47 -8.358 -29.403 5.108 1.00 39.56 O ATOM 515 H GLY A 47 -7.026 -31.275 7.194 1.00 0.00 H ATOM 516 N VAL A 48 -7.034 -29.709 3.307 1.00 36.13 N ATOM 517 CA VAL A 48 -7.403 -28.435 2.718 1.00 42.78 C ATOM 518 C VAL A 48 -7.575 -28.524 1.202 1.00 41.67 C ATOM 519 O VAL A 48 -6.908 -29.310 0.519 1.00 37.74 O ATOM 520 CB VAL A 48 -6.357 -27.357 3.052 1.00 44.45 C ATOM 521 CG1 VAL A 48 -5.115 -27.520 2.182 1.00 36.16 C ATOM 522 CG2 VAL A 48 -6.957 -25.977 2.892 1.00 52.95 C ATOM 523 H VAL A 48 -6.377 -30.338 2.802 1.00 0.00 H ATOM 524 N ASN A 49 -8.507 -27.737 0.686 1.00 48.81 N ATOM 525 CA ASN A 49 -8.705 -27.627 -0.753 1.00 48.97 C ATOM 526 C ASN A 49 -7.444 -27.063 -1.412 1.00 48.67 C ATOM 527 O ASN A 49 -6.808 -26.152 -0.875 1.00 47.58 O ATOM 528 CB ASN A 49 -9.913 -26.743 -1.063 1.00 54.70 C ATOM 529 CG ASN A 49 -10.229 -26.680 -2.549 1.00 78.93 C ATOM 530 OD1 ASN A 49 -9.531 -26.021 -3.320 1.00 86.25 O ATOM 531 ND2 ASN A 49 -11.292 -27.360 -2.955 1.00 84.60 N ATOM 532 HD22 ASN A 49 -11.854 -27.904 -2.270 1.00 0.00 H ATOM 533 HD21 ASN A 49 -11.564 -27.350 -3.959 1.00 0.00 H ATOM 534 H ASN A 49 -9.113 -27.183 1.325 1.00 0.00 H ATOM 535 N ASP A 50 -7.086 -27.625 -2.561 1.00 49.49 N ATOM 536 CA ASP A 50 -5.910 -27.213 -3.327 1.00 52.37 C ATOM 537 C ASP A 50 -5.806 -25.688 -3.456 1.00 49.82 C ATOM 538 O ASP A 50 -4.714 -25.121 -3.362 1.00 49.98 O ATOM 539 CB ASP A 50 -5.957 -27.872 -4.712 1.00 73.54 C ATOM 540 CG ASP A 50 -4.810 -27.454 -5.607 1.00 93.86 C ATOM 541 OD1 ASP A 50 -3.648 -27.806 -5.301 1.00 89.84 O ATOM 542 OD2 ASP A 50 -5.078 -26.784 -6.629 1.00107.97 O ATOM 543 H ASP A 50 -7.672 -28.398 -2.935 1.00 0.00 H ATOM 544 N ASP A 51 -6.952 -25.037 -3.644 1.00 47.15 N ATOM 545 CA ASP A 51 -7.022 -23.586 -3.825 1.00 52.88 C ATOM 546 C ASP A 51 -6.496 -22.791 -2.624 1.00 50.47 C ATOM 547 O ASP A 51 -6.197 -21.609 -2.747 1.00 48.25 O ATOM 548 CB ASP A 51 -8.469 -23.149 -4.105 1.00 48.50 C ATOM 549 CG ASP A 51 -9.049 -23.788 -5.364 1.00 80.49 C ATOM 550 OD1 ASP A 51 -8.281 -24.388 -6.152 1.00 78.55 O ATOM 551 OD2 ASP A 51 -10.281 -23.684 -5.567 1.00 94.22 O ATOM 552 H ASP A 51 -7.837 -25.583 -3.663 1.00 0.00 H ATOM 553 N ARG A 52 -6.412 -23.417 -1.461 1.00 46.09 N ATOM 554 CA ARG A 52 -6.060 -22.671 -0.251 1.00 54.23 C ATOM 555 C ARG A 52 -4.703 -23.058 0.357 1.00 50.07 C ATOM 556 O ARG A 52 -4.383 -22.652 1.476 1.00 48.19 O ATOM 557 CB ARG A 52 -7.151 -22.844 0.811 1.00 54.55 C ATOM 558 CG ARG A 52 -8.523 -22.359 0.405 1.00 61.58 C ATOM 559 CD ARG A 52 -9.480 -22.346 1.603 1.00 66.38 C ATOM 560 NE ARG A 52 -9.222 -21.221 2.499 1.00 66.15 N ATOM 561 CZ ARG A 52 -9.526 -21.191 3.798 1.00 62.25 C ATOM 562 NH1 ARG A 52 -10.104 -22.226 4.392 1.00 56.99 N ATOM 563 NH2 ARG A 52 -9.249 -20.109 4.508 1.00 57.81 N ATOM 564 HE ARG A 52 -8.766 -20.379 2.093 1.00 0.00 H ATOM 565 HH12 ARG A 52 -10.333 -22.183 5.406 1.00 0.00 H ATOM 566 HH11 ARG A 52 -10.328 -23.081 3.844 1.00 0.00 H ATOM 567 HH22 ARG A 52 -9.483 -20.078 5.521 1.00 0.00 H ATOM 568 HH21 ARG A 52 -8.798 -19.290 4.053 1.00 0.00 H ATOM 569 H ARG A 52 -6.596 -24.439 -1.406 1.00 0.00 H ATOM 570 N VAL A 53 -3.907 -23.828 -0.375 1.00 45.60 N ATOM 571 CA VAL A 53 -2.612 -24.275 0.135 1.00 44.99 C ATOM 572 C VAL A 53 -1.647 -23.107 0.389 1.00 47.98 C ATOM 573 O VAL A 53 -0.977 -23.088 1.415 1.00 43.20 O ATOM 574 CB VAL A 53 -1.953 -25.317 -0.820 1.00 39.58 C ATOM 575 CG1 VAL A 53 -0.495 -25.627 -0.416 1.00 35.78 C ATOM 576 CG2 VAL A 53 -2.769 -26.620 -0.819 1.00 37.89 C ATOM 577 H VAL A 53 -4.210 -24.118 -1.327 1.00 0.00 H ATOM 578 N ASP A 54 -1.576 -22.130 -0.514 1.00 45.39 N ATOM 579 CA ASP A 54 -0.679 -20.995 -0.290 1.00 49.85 C ATOM 580 C ASP A 54 -1.106 -20.237 0.962 1.00 52.93 C ATOM 581 O ASP A 54 -0.282 -19.889 1.815 1.00 50.45 O ATOM 582 CB ASP A 54 -0.659 -20.045 -1.496 1.00 48.22 C ATOM 583 CG ASP A 54 0.002 -20.665 -2.704 1.00 58.81 C ATOM 584 OD1 ASP A 54 0.876 -21.537 -2.517 1.00 61.93 O ATOM 585 OD2 ASP A 54 -0.355 -20.287 -3.836 1.00 73.80 O ATOM 586 H ASP A 54 -2.156 -22.174 -1.376 1.00 0.00 H ATOM 587 N GLU A 55 -2.405 -19.997 1.056 1.00 43.21 N ATOM 588 CA GLU A 55 -2.993 -19.359 2.224 1.00 54.02 C ATOM 589 C GLU A 55 -2.607 -20.057 3.539 1.00 51.64 C ATOM 590 O GLU A 55 -2.170 -19.400 4.482 1.00 53.37 O ATOM 591 CB GLU A 55 -4.508 -19.322 2.065 1.00 51.45 C ATOM 592 CG GLU A 55 -5.221 -18.461 3.057 1.00 68.88 C ATOM 593 CD GLU A 55 -6.714 -18.488 2.842 1.00 75.31 C ATOM 594 OE1 GLU A 55 -7.151 -18.901 1.739 1.00 69.23 O ATOM 595 OE2 GLU A 55 -7.444 -18.096 3.777 1.00 75.78 O ATOM 596 H GLU A 55 -3.026 -20.274 0.269 1.00 0.00 H ATOM 597 N ILE A 56 -2.740 -21.378 3.610 1.00 45.83 N ATOM 598 CA ILE A 56 -2.446 -22.041 4.881 1.00 48.39 C ATOM 599 C ILE A 56 -0.941 -22.065 5.170 1.00 55.21 C ATOM 600 O ILE A 56 -0.538 -21.984 6.338 1.00 48.09 O ATOM 601 CB ILE A 56 -3.021 -23.466 4.957 1.00 42.52 C ATOM 602 CG1 ILE A 56 -3.100 -23.911 6.429 1.00 49.17 C ATOM 603 CG2 ILE A 56 -2.226 -24.489 4.074 1.00 44.39 C ATOM 604 CD1 ILE A 56 -3.840 -25.215 6.664 1.00 46.33 C ATOM 605 H ILE A 56 -3.046 -21.927 2.782 1.00 0.00 H ATOM 606 N LEU A 57 -0.110 -22.124 4.127 1.00 48.37 N ATOM 607 CA LEU A 57 1.346 -22.112 4.328 1.00 49.42 C ATOM 608 C LEU A 57 1.741 -20.781 4.940 1.00 54.51 C ATOM 609 O LEU A 57 2.596 -20.708 5.829 1.00 50.28 O ATOM 610 CB LEU A 57 2.104 -22.329 3.016 1.00 53.35 C ATOM 611 CG LEU A 57 2.037 -23.704 2.352 1.00 48.47 C ATOM 612 CD1 LEU A 57 2.912 -23.720 1.111 1.00 52.83 C ATOM 613 CD2 LEU A 57 2.439 -24.821 3.302 1.00 47.63 C ATOM 614 H LEU A 57 -0.496 -22.179 3.163 1.00 0.00 H ATOM 615 N SER A 58 1.092 -19.729 4.456 1.00 47.40 N ATOM 616 CA SER A 58 1.305 -18.386 4.960 1.00 50.98 C ATOM 617 C SER A 58 0.973 -18.251 6.450 1.00 62.16 C ATOM 618 O SER A 58 1.684 -17.571 7.191 1.00 54.09 O ATOM 619 CB SER A 58 0.472 -17.397 4.151 1.00 61.33 C ATOM 620 OG SER A 58 0.663 -16.080 4.623 1.00 81.17 O ATOM 621 HG SER A 58 0.389 -16.028 5.573 1.00 0.00 H ATOM 622 H SER A 58 0.406 -19.873 3.688 1.00 0.00 H ATOM 623 N VAL A 59 -0.112 -18.888 6.884 1.00 52.05 N ATOM 624 CA VAL A 59 -0.500 -18.865 8.293 1.00 53.03 C ATOM 625 C VAL A 59 0.553 -19.563 9.163 1.00 48.91 C ATOM 626 O VAL A 59 0.935 -19.051 10.230 1.00 51.28 O ATOM 627 CB VAL A 59 -1.881 -19.536 8.510 1.00 61.94 C ATOM 628 CG1 VAL A 59 -2.189 -19.692 10.001 1.00 51.30 C ATOM 629 CG2 VAL A 59 -2.982 -18.742 7.814 1.00 57.31 C ATOM 630 H VAL A 59 -0.698 -19.415 6.205 1.00 0.00 H ATOM 631 N ILE A 60 1.023 -20.717 8.693 1.00 47.08 N ATOM 632 CA ILE A 60 2.025 -21.516 9.412 1.00 51.27 C ATOM 633 C ILE A 60 3.321 -20.729 9.542 1.00 57.94 C ATOM 634 O ILE A 60 3.906 -20.635 10.625 1.00 64.54 O ATOM 635 CB ILE A 60 2.292 -22.855 8.707 1.00 53.57 C ATOM 636 CG1 ILE A 60 1.012 -23.691 8.661 1.00 51.61 C ATOM 637 CG2 ILE A 60 3.392 -23.657 9.405 1.00 38.67 C ATOM 638 CD1 ILE A 60 1.074 -24.805 7.638 1.00 43.52 C ATOM 639 H ILE A 60 0.667 -21.067 7.781 1.00 0.00 H ATOM 640 N ASN A 61 3.742 -20.133 8.432 1.00 46.82 N ATOM 641 CA ASN A 61 4.932 -19.302 8.418 1.00 52.16 C ATOM 642 C ASN A 61 4.846 -18.124 9.377 1.00 58.70 C ATOM 643 O ASN A 61 5.811 -17.825 10.071 1.00 57.04 O ATOM 644 CB ASN A 61 5.192 -18.803 7.004 1.00 59.35 C ATOM 645 CG ASN A 61 6.483 -18.040 6.892 1.00 62.43 C ATOM 646 OD1 ASN A 61 7.496 -18.428 7.467 1.00 65.20 O ATOM 647 ND2 ASN A 61 6.459 -16.948 6.141 1.00 70.73 N ATOM 648 HD22 ASN A 61 5.577 -16.658 5.673 1.00 0.00 H ATOM 649 HD21 ASN A 61 7.322 -16.381 6.020 1.00 0.00 H ATOM 650 H ASN A 61 3.206 -20.265 7.551 1.00 0.00 H ATOM 651 N GLN A 62 3.701 -17.448 9.417 1.00 65.25 N ATOM 652 CA GLN A 62 3.531 -16.303 10.316 1.00 60.22 C ATOM 653 C GLN A 62 3.534 -16.695 11.793 1.00 62.39 C ATOM 654 O GLN A 62 4.194 -16.050 12.604 1.00 71.72 O ATOM 655 CB GLN A 62 2.238 -15.554 9.997 1.00 71.20 C ATOM 656 CG GLN A 62 2.162 -14.969 8.599 1.00 77.52 C ATOM 657 CD GLN A 62 1.048 -13.953 8.474 1.00 73.38 C ATOM 658 OE1 GLN A 62 1.115 -12.862 9.042 1.00 88.20 O ATOM 659 NE2 GLN A 62 0.000 -14.318 7.743 1.00 65.97 N ATOM 660 HE22 GLN A 62 -0.013 -15.250 7.281 1.00 0.00 H ATOM 661 HE21 GLN A 62 -0.807 -13.672 7.633 1.00 0.00 H ATOM 662 H GLN A 62 2.914 -17.736 8.801 1.00 0.00 H ATOM 663 N THR A 63 2.808 -17.757 12.140 1.00 55.69 N ATOM 664 CA THR A 63 2.643 -18.124 13.543 1.00 67.04 C ATOM 665 C THR A 63 3.815 -18.954 14.071 1.00 67.11 C ATOM 666 O THR A 63 4.221 -18.820 15.221 1.00 60.99 O ATOM 667 CB THR A 63 1.342 -18.905 13.755 1.00 61.72 C ATOM 668 OG1 THR A 63 1.311 -20.016 12.851 1.00 66.93 O ATOM 669 CG2 THR A 63 0.143 -18.004 13.495 1.00 58.36 C ATOM 670 HG1 THR A 63 1.353 -19.683 11.920 1.00 0.00 H ATOM 671 H THR A 63 2.353 -18.332 11.402 1.00 0.00 H ATOM 672 N CYS A 64 4.349 -19.819 13.221 1.00 57.59 N ATOM 673 CA CYS A 64 5.479 -20.651 13.593 1.00 58.76 C ATOM 674 C CYS A 64 6.607 -20.302 12.633 1.00 69.31 C ATOM 675 O CYS A 64 6.414 -19.491 11.740 1.00 77.82 O ATOM 676 CB CYS A 64 5.132 -22.122 13.405 1.00 57.11 C ATOM 677 SG CYS A 64 3.433 -22.505 13.983 1.00 54.81 S ATOM 678 H CYS A 64 3.949 -19.904 12.265 1.00 0.00 H ATOM 679 N GLY A 65 7.791 -20.868 12.796 1.00 67.73 N ATOM 680 CA GLY A 65 8.847 -20.511 11.860 1.00 77.91 C ATOM 681 C GLY A 65 9.823 -19.651 12.638 1.00 64.38 C ATOM 682 O GLY A 65 9.432 -18.975 13.584 1.00 66.48 O ATOM 683 H GLY A 65 7.962 -21.545 13.567 1.00 0.00 H ATOM 684 N ASN A 66 11.090 -19.673 12.231 1.00 74.19 N ATOM 685 CA ASN A 66 12.174 -19.171 13.070 1.00 76.62 C ATOM 686 C ASN A 66 12.294 -17.647 13.138 1.00 73.33 C ATOM 687 O ASN A 66 11.636 -16.929 12.390 1.00 77.92 O ATOM 688 CB ASN A 66 13.508 -19.788 12.616 1.00 94.30 C ATOM 689 CG ASN A 66 13.878 -19.428 11.182 1.00 80.00 C ATOM 690 OD1 ASN A 66 13.571 -18.340 10.692 1.00 80.00 O ATOM 691 ND2 ASN A 66 14.562 -20.346 10.507 1.00 80.00 N ATOM 692 HD22 ASN A 66 14.801 -21.252 10.958 1.00 0.00 H ATOM 693 HD21 ASN A 66 14.858 -20.158 9.528 1.00 0.00 H ATOM 694 H ASN A 66 11.314 -20.058 11.291 1.00 0.00 H TER 695 ASN A 66 ATOM 696 N GLU A 92 16.481 -17.609 15.440 1.00101.38 N ATOM 697 CA GLU A 92 17.323 -18.467 16.265 1.00 99.19 C ATOM 698 C GLU A 92 16.511 -19.596 16.893 1.00106.98 C ATOM 699 O GLU A 92 17.029 -20.686 17.133 1.00 80.00 O ATOM 700 CB GLU A 92 18.018 -17.649 17.355 1.00 20.00 C ATOM 701 CG GLU A 92 18.492 -16.280 16.897 1.00 20.00 C ATOM 702 CD GLU A 92 19.489 -15.658 17.854 1.00 20.00 C ATOM 703 OE1 GLU A 92 19.951 -16.364 18.776 1.00 20.00 O ATOM 704 OE2 GLU A 92 19.812 -14.464 17.686 1.00 20.00 O ATOM 705 HN3 GLU A 92 15.731 -17.192 16.028 1.00 0.00 H ATOM 706 HN2 GLU A 92 16.053 -18.174 14.679 1.00 0.00 H ATOM 707 HN1 GLU A 92 17.061 -16.851 15.026 1.00 0.00 H ATOM 708 N VAL A 93 15.237 -19.326 17.156 1.00 94.44 N ATOM 709 CA VAL A 93 14.352 -20.317 17.756 1.00 90.75 C ATOM 710 C VAL A 93 13.095 -20.514 16.916 1.00 86.67 C ATOM 711 O VAL A 93 12.897 -19.835 15.909 1.00 80.46 O ATOM 712 CB VAL A 93 13.945 -19.919 19.187 1.00 90.09 C ATOM 713 CG1 VAL A 93 15.095 -20.160 20.152 1.00 90.00 C ATOM 714 CG2 VAL A 93 13.503 -18.464 19.226 1.00 89.25 C ATOM 715 H VAL A 93 14.861 -18.383 16.928 1.00 0.00 H ATOM 716 N GLY A 94 12.248 -21.448 17.337 1.00 77.78 N ATOM 717 CA GLY A 94 11.015 -21.735 16.628 1.00 70.25 C ATOM 718 C GLY A 94 11.278 -22.544 15.373 1.00 61.98 C ATOM 719 O GLY A 94 12.272 -23.266 15.287 1.00 75.05 O ATOM 720 H GLY A 94 12.475 -21.987 18.197 1.00 0.00 H ATOM 721 N GLY A 95 10.396 -22.420 14.390 1.00 51.88 N ATOM 722 CA GLY A 95 10.569 -23.137 13.142 1.00 60.78 C ATOM 723 C GLY A 95 9.421 -24.078 12.843 1.00 58.20 C ATOM 724 O GLY A 95 8.789 -24.627 13.751 1.00 55.66 O ATOM 725 H GLY A 95 9.570 -21.801 14.516 1.00 0.00 H ATOM 726 N ALA A 96 9.139 -24.263 11.559 1.00 48.18 N ATOM 727 CA ALA A 96 8.115 -25.212 11.151 1.00 40.06 C ATOM 728 C ALA A 96 8.558 -26.031 9.931 1.00 47.09 C ATOM 729 O ALA A 96 9.190 -25.506 9.005 1.00 47.84 O ATOM 730 CB ALA A 96 6.809 -24.488 10.864 1.00 48.74 C ATOM 731 H ALA A 96 9.656 -23.723 10.836 1.00 0.00 H ATOM 732 N THR A 97 8.238 -27.323 9.964 1.00 43.99 N ATOM 733 CA THR A 97 8.539 -28.260 8.878 1.00 43.59 C ATOM 734 C THR A 97 7.211 -28.753 8.320 1.00 45.39 C ATOM 735 O THR A 97 6.376 -29.285 9.055 1.00 41.84 O ATOM 736 CB THR A 97 9.410 -29.456 9.369 1.00 41.14 C ATOM 737 OG1 THR A 97 10.638 -28.956 9.919 1.00 44.69 O ATOM 738 CG2 THR A 97 9.735 -30.437 8.236 1.00 36.26 C ATOM 739 HG1 THR A 97 10.437 -28.357 10.681 1.00 0.00 H ATOM 740 H THR A 97 7.748 -27.687 10.806 1.00 0.00 H ATOM 741 N VAL A 98 7.008 -28.561 7.021 1.00 40.35 N ATOM 742 CA VAL A 98 5.701 -28.810 6.419 1.00 41.23 C ATOM 743 C VAL A 98 5.773 -29.692 5.179 1.00 39.16 C ATOM 744 O VAL A 98 6.553 -29.420 4.256 1.00 39.19 O ATOM 745 CB VAL A 98 5.011 -27.488 6.028 1.00 43.14 C ATOM 746 CG1 VAL A 98 3.579 -27.746 5.575 1.00 39.02 C ATOM 747 CG2 VAL A 98 5.025 -26.490 7.193 1.00 45.81 C ATOM 748 H VAL A 98 7.792 -28.228 6.424 1.00 0.00 H ATOM 749 N PHE A 99 4.945 -30.734 5.157 1.00 34.77 N ATOM 750 CA PHE A 99 4.762 -31.561 3.953 1.00 34.77 C ATOM 751 C PHE A 99 3.379 -31.362 3.335 1.00 42.11 C ATOM 752 O PHE A 99 2.374 -31.363 4.041 1.00 40.40 O ATOM 753 CB PHE A 99 4.948 -33.035 4.277 1.00 32.53 C ATOM 754 CG PHE A 99 6.259 -33.345 4.915 1.00 39.17 C ATOM 755 CD1 PHE A 99 6.409 -33.274 6.293 1.00 39.71 C ATOM 756 CD2 PHE A 99 7.345 -33.713 4.143 1.00 44.67 C ATOM 757 CE1 PHE A 99 7.628 -33.563 6.888 1.00 36.75 C ATOM 758 CE2 PHE A 99 8.569 -33.999 4.732 1.00 50.88 C ATOM 759 CZ PHE A 99 8.711 -33.917 6.112 1.00 38.99 C ATOM 760 H PHE A 99 4.411 -30.971 6.017 1.00 0.00 H ATOM 761 N VAL A 100 3.334 -31.186 2.019 1.00 36.55 N ATOM 762 CA VAL A 100 2.059 -31.143 1.283 1.00 34.82 C ATOM 763 C VAL A 100 1.873 -32.450 0.511 1.00 39.36 C ATOM 764 O VAL A 100 2.692 -32.789 -0.364 1.00 35.75 O ATOM 765 CB VAL A 100 2.000 -29.949 0.286 1.00 35.64 C ATOM 766 CG1 VAL A 100 0.643 -29.911 -0.437 1.00 35.93 C ATOM 767 CG2 VAL A 100 2.277 -28.600 0.991 1.00 37.36 C ATOM 768 H VAL A 100 4.225 -31.075 1.493 1.00 0.00 H ATOM 769 N MET A 101 0.796 -33.172 0.802 1.00 32.43 N ATOM 770 CA MET A 101 0.629 -34.521 0.265 1.00 35.99 C ATOM 771 C MET A 101 -0.692 -34.673 -0.499 1.00 38.32 C ATOM 772 O MET A 101 -1.708 -34.110 -0.102 1.00 38.91 O ATOM 773 CB MET A 101 0.703 -35.551 1.395 1.00 32.44 C ATOM 774 CG MET A 101 2.076 -35.586 2.072 1.00 35.40 C ATOM 775 SD MET A 101 2.174 -36.743 3.456 1.00 41.57 S ATOM 776 CE MET A 101 2.060 -38.358 2.624 1.00 33.23 C ATOM 777 H MET A 101 0.062 -32.772 1.420 1.00 0.00 H ATOM 778 N PRO A 102 -0.677 -35.464 -1.581 1.00 36.07 N ATOM 779 CA PRO A 102 -1.900 -35.637 -2.369 1.00 36.87 C ATOM 780 C PRO A 102 -2.950 -36.478 -1.645 1.00 43.54 C ATOM 781 O PRO A 102 -2.613 -37.401 -0.892 1.00 34.75 O ATOM 782 CB PRO A 102 -1.407 -36.350 -3.639 1.00 41.44 C ATOM 783 CG PRO A 102 -0.166 -37.097 -3.199 1.00 37.27 C ATOM 784 CD PRO A 102 0.472 -36.218 -2.135 1.00 36.00 C ATOM 785 N VAL A 103 -4.212 -36.154 -1.909 1.00 40.55 N ATOM 786 CA VAL A 103 -5.361 -36.856 -1.356 1.00 41.08 C ATOM 787 C VAL A 103 -6.268 -37.367 -2.482 1.00 47.01 C ATOM 788 O VAL A 103 -6.673 -36.580 -3.340 1.00 39.41 O ATOM 789 CB VAL A 103 -6.175 -35.925 -0.443 1.00 38.97 C ATOM 790 CG1 VAL A 103 -7.453 -36.605 -0.011 1.00 37.35 C ATOM 791 CG2 VAL A 103 -5.341 -35.485 0.767 1.00 40.84 C ATOM 792 H VAL A 103 -4.389 -35.352 -2.548 1.00 0.00 H ATOM 793 N ASP A 104 -6.600 -38.660 -2.485 1.00 39.64 N ATOM 794 CA ASP A 104 -7.523 -39.208 -3.494 1.00 41.30 C ATOM 795 C ASP A 104 -8.986 -38.815 -3.272 1.00 43.46 C ATOM 796 O ASP A 104 -9.699 -38.504 -4.222 1.00 43.06 O ATOM 797 CB ASP A 104 -7.432 -40.735 -3.541 1.00 42.60 C ATOM 798 CG ASP A 104 -6.184 -41.224 -4.230 1.00 47.15 C ATOM 799 OD1 ASP A 104 -5.546 -40.422 -4.937 1.00 46.45 O ATOM 800 OD2 ASP A 104 -5.833 -42.408 -4.052 1.00 50.61 O ATOM 801 H ASP A 104 -6.200 -39.292 -1.762 1.00 0.00 H ATOM 802 N ALA A 105 -9.443 -38.867 -2.023 1.00 39.77 N ATOM 803 CA ALA A 105 -10.856 -38.603 -1.707 1.00 40.15 C ATOM 804 C ALA A 105 -11.012 -38.111 -0.270 1.00 44.48 C ATOM 805 O ALA A 105 -10.125 -38.316 0.574 1.00 36.85 O ATOM 806 CB ALA A 105 -11.708 -39.852 -1.934 1.00 42.84 C ATOM 807 H ALA A 105 -8.786 -39.100 -1.252 1.00 0.00 H ATOM 808 N PHE A 106 -12.134 -37.453 -0.005 1.00 40.94 N ATOM 809 CA PHE A 106 -12.401 -36.841 1.300 1.00 45.99 C ATOM 810 C PHE A 106 -13.861 -37.114 1.643 1.00 50.15 C ATOM 811 O PHE A 106 -14.730 -36.845 0.820 1.00 48.30 O ATOM 812 CB PHE A 106 -12.091 -35.341 1.227 1.00 54.45 C ATOM 813 CG PHE A 106 -12.482 -34.547 2.450 1.00 49.86 C ATOM 814 CD1 PHE A 106 -11.971 -34.849 3.694 1.00 54.52 C ATOM 815 CD2 PHE A 106 -13.314 -33.453 2.331 1.00 56.17 C ATOM 816 CE1 PHE A 106 -12.316 -34.090 4.806 1.00 57.21 C ATOM 817 CE2 PHE A 106 -13.659 -32.690 3.437 1.00 61.83 C ATOM 818 CZ PHE A 106 -13.170 -33.010 4.673 1.00 50.57 C ATOM 819 H PHE A 106 -12.852 -37.368 -0.753 1.00 0.00 H ATOM 820 N HIS A 107 -14.144 -37.686 2.816 1.00 33.84 N ATOM 821 CA HIS A 107 -15.538 -38.014 3.158 1.00 36.73 C ATOM 822 C HIS A 107 -15.868 -37.546 4.558 1.00 46.76 C ATOM 823 O HIS A 107 -14.997 -37.533 5.427 1.00 44.20 O ATOM 824 CB HIS A 107 -15.805 -39.522 3.096 1.00 44.40 C ATOM 825 CG HIS A 107 -15.519 -40.145 1.764 1.00 51.27 C ATOM 826 ND1 HIS A 107 -16.499 -40.386 0.826 1.00 53.44 N ATOM 827 CD2 HIS A 107 -14.359 -40.575 1.215 1.00 50.69 C ATOM 828 CE1 HIS A 107 -15.955 -40.944 -0.242 1.00 47.76 C ATOM 829 NE2 HIS A 107 -14.657 -41.062 -0.034 1.00 51.65 N ATOM 830 H HIS A 107 -13.380 -37.900 3.488 1.00 0.00 H ATOM 831 N GLN A 108 -17.120 -37.176 4.782 1.00 41.09 N ATOM 832 CA GLN A 108 -17.633 -37.053 6.148 1.00 53.51 C ATOM 833 C GLN A 108 -18.860 -37.948 6.314 1.00 54.28 C ATOM 834 O GLN A 108 -19.740 -37.979 5.451 1.00 58.08 O ATOM 835 CB GLN A 108 -17.960 -35.588 6.493 1.00 50.78 C ATOM 836 CG GLN A 108 -16.734 -34.794 6.939 1.00 55.40 C ATOM 837 CD GLN A 108 -17.081 -33.482 7.623 1.00 55.82 C ATOM 838 OE1 GLN A 108 -18.119 -32.881 7.352 1.00 56.98 O ATOM 839 NE2 GLN A 108 -16.218 -33.047 8.538 1.00 51.66 N ATOM 840 HE22 GLN A 108 -15.352 -33.588 8.735 1.00 0.00 H ATOM 841 HE21 GLN A 108 -16.410 -32.166 9.056 1.00 0.00 H ATOM 842 H GLN A 108 -17.746 -36.970 3.978 1.00 0.00 H ATOM 843 N PHE A 109 -18.906 -38.689 7.418 1.00 56.40 N ATOM 844 CA PHE A 109 -20.026 -39.581 7.708 1.00 54.98 C ATOM 845 C PHE A 109 -20.718 -39.163 8.997 1.00 51.15 C ATOM 846 O PHE A 109 -21.888 -39.469 9.229 1.00 53.13 O ATOM 847 CB PHE A 109 -19.557 -41.033 7.825 1.00 57.95 C ATOM 848 CG PHE A 109 -18.887 -41.557 6.592 1.00 58.22 C ATOM 849 CD1 PHE A 109 -19.590 -41.667 5.401 1.00 63.92 C ATOM 850 CD2 PHE A 109 -17.558 -41.954 6.623 1.00 58.86 C ATOM 851 CE1 PHE A 109 -18.976 -42.157 4.255 1.00 57.11 C ATOM 852 CE2 PHE A 109 -16.940 -42.441 5.482 1.00 58.53 C ATOM 853 CZ PHE A 109 -17.654 -42.542 4.297 1.00 50.04 C ATOM 854 OXT PHE A 109 -20.095 -38.508 9.837 1.00 55.58 O ATOM 855 H PHE A 109 -18.120 -38.631 8.096 1.00 0.00 H TER 856 PHE A 109 ATOM 857 N GLY B -7 6.843 -54.671 -3.231 1.00 91.68 N ATOM 858 CA GLY B -7 6.628 -54.521 -1.802 1.00 89.79 C ATOM 859 C GLY B -7 5.940 -55.728 -1.189 1.00 87.21 C ATOM 860 O GLY B -7 6.430 -56.848 -1.291 1.00100.08 O ATOM 861 HN3 GLY B -7 5.927 -54.795 -3.707 1.00 0.00 H ATOM 862 HN2 GLY B -7 7.441 -55.504 -3.405 1.00 0.00 H ATOM 863 HN1 GLY B -7 7.315 -53.821 -3.600 1.00 0.00 H ATOM 864 N LEU B -6 4.804 -55.495 -0.542 1.00 78.82 N ATOM 865 CA LEU B -6 3.968 -56.575 -0.026 1.00 79.03 C ATOM 866 C LEU B -6 2.673 -56.622 -0.839 1.00 82.76 C ATOM 867 O LEU B -6 1.706 -57.292 -0.462 1.00 92.62 O ATOM 868 CB LEU B -6 3.672 -56.378 1.471 1.00 83.78 C ATOM 869 CG LEU B -6 3.287 -57.595 2.331 1.00 82.59 C ATOM 870 CD1 LEU B -6 4.394 -58.631 2.318 1.00 85.69 C ATOM 871 CD2 LEU B -6 2.973 -57.204 3.764 1.00 71.35 C ATOM 872 H LEU B -6 4.500 -54.511 -0.398 1.00 0.00 H ATOM 873 N VAL B -5 2.666 -55.906 -1.964 1.00 61.73 N ATOM 874 CA VAL B -5 1.475 -55.801 -2.802 1.00 62.42 C ATOM 875 C VAL B -5 1.725 -56.478 -4.153 1.00 62.84 C ATOM 876 O VAL B -5 2.778 -56.286 -4.778 1.00 65.29 O ATOM 877 CB VAL B -5 1.034 -54.307 -2.973 1.00 70.64 C ATOM 878 CG1 VAL B -5 1.821 -53.405 -2.031 1.00 66.81 C ATOM 879 CG2 VAL B -5 1.164 -53.818 -4.411 1.00 67.04 C ATOM 880 H VAL B -5 3.533 -55.409 -2.252 1.00 0.00 H ATOM 881 N PRO B -4 0.779 -57.332 -4.578 1.00 66.74 N ATOM 882 CA PRO B -4 0.937 -58.082 -5.834 1.00 69.49 C ATOM 883 C PRO B -4 0.906 -57.146 -7.039 1.00 47.89 C ATOM 884 O PRO B -4 0.217 -56.128 -6.994 1.00 48.81 O ATOM 885 CB PRO B -4 -0.273 -59.036 -5.844 1.00 66.87 C ATOM 886 CG PRO B -4 -0.823 -58.994 -4.436 1.00 61.93 C ATOM 887 CD PRO B -4 -0.496 -57.635 -3.911 1.00 59.85 C ATOM 888 N ARG B -3 1.650 -57.475 -8.085 1.00 56.22 N ATOM 889 CA ARG B -3 1.633 -56.673 -9.302 1.00 59.67 C ATOM 890 C ARG B -3 0.205 -56.463 -9.839 1.00 61.48 C ATOM 891 O ARG B -3 -0.567 -57.409 -9.982 1.00 57.32 O ATOM 892 CB ARG B -3 2.517 -57.328 -10.366 1.00 67.19 C ATOM 893 CG ARG B -3 4.001 -57.247 -10.050 1.00 64.33 C ATOM 894 CD ARG B -3 4.849 -57.676 -11.229 1.00 60.04 C ATOM 895 NE ARG B -3 5.189 -59.092 -11.173 1.00 69.49 N ATOM 896 CZ ARG B -3 6.146 -59.590 -10.395 1.00 72.33 C ATOM 897 NH1 ARG B -3 6.846 -58.784 -9.607 1.00 82.83 N ATOM 898 NH2 ARG B -3 6.398 -60.891 -10.400 1.00 72.57 N ATOM 899 HE ARG B -3 4.654 -59.750 -11.775 1.00 0.00 H ATOM 900 HH12 ARG B -3 7.594 -59.173 -8.998 1.00 0.00 H ATOM 901 HH11 ARG B -3 6.646 -57.763 -9.598 1.00 0.00 H ATOM 902 HH22 ARG B -3 7.147 -61.278 -9.791 1.00 0.00 H ATOM 903 HH21 ARG B -3 5.847 -61.525 -11.013 1.00 0.00 H ATOM 904 H ARG B -3 2.256 -58.319 -8.037 1.00 0.00 H ATOM 905 N GLY B -2 -0.153 -55.210 -10.101 1.00 60.88 N ATOM 906 CA GLY B -2 -1.444 -54.907 -10.689 1.00 55.04 C ATOM 907 C GLY B -2 -2.434 -54.300 -9.715 1.00 57.14 C ATOM 908 O GLY B -2 -3.450 -53.743 -10.125 1.00 65.36 O ATOM 909 H GLY B -2 0.503 -54.434 -9.881 1.00 0.00 H ATOM 910 N SER B -1 -2.151 -54.405 -8.422 1.00 45.92 N ATOM 911 CA SER B -1 -2.989 -53.722 -7.443 1.00 47.68 C ATOM 912 C SER B -1 -2.244 -52.588 -6.768 1.00 47.25 C ATOM 913 O SER B -1 -1.056 -52.372 -6.997 1.00 54.73 O ATOM 914 CB SER B -1 -3.530 -54.700 -6.400 1.00 56.76 C ATOM 915 OG SER B -1 -2.514 -55.546 -5.903 1.00 70.87 O ATOM 916 HG SER B -1 -2.126 -56.068 -6.650 1.00 0.00 H ATOM 917 H SER B -1 -1.337 -54.971 -8.109 1.00 0.00 H ATOM 918 N HIS B 0 -2.968 -51.845 -5.947 1.00 42.80 N ATOM 919 CA HIS B 0 -2.414 -50.708 -5.248 1.00 50.78 C ATOM 920 C HIS B 0 -2.987 -50.639 -3.843 1.00 48.45 C ATOM 921 O HIS B 0 -4.082 -51.154 -3.594 1.00 48.66 O ATOM 922 CB HIS B 0 -2.717 -49.421 -6.006 1.00 46.41 C ATOM 923 CG HIS B 0 -2.406 -49.507 -7.464 1.00 59.77 C ATOM 924 ND1 HIS B 0 -3.346 -49.874 -8.402 1.00 71.62 N ATOM 925 CD2 HIS B 0 -1.248 -49.324 -8.138 1.00 65.10 C ATOM 926 CE1 HIS B 0 -2.786 -49.887 -9.599 1.00 77.66 C ATOM 927 NE2 HIS B 0 -1.514 -49.558 -9.467 1.00 78.06 N ATOM 928 H HIS B 0 -3.969 -52.087 -5.800 1.00 0.00 H ATOM 929 N MET B 1 -2.229 -50.019 -2.938 1.00 43.38 N ATOM 930 CA MET B 1 -2.668 -49.755 -1.576 1.00 44.50 C ATOM 931 C MET B 1 -3.113 -48.309 -1.464 1.00 40.04 C ATOM 932 O MET B 1 -2.623 -47.447 -2.192 1.00 39.29 O ATOM 933 CB MET B 1 -1.536 -50.007 -0.567 1.00 49.16 C ATOM 934 CG MET B 1 -0.960 -51.404 -0.589 1.00 60.93 C ATOM 935 SD MET B 1 -1.741 -52.461 0.631 1.00 70.83 S ATOM 936 CE MET B 1 -1.509 -51.491 2.113 1.00 51.40 C ATOM 937 H MET B 1 -1.277 -49.709 -3.219 1.00 0.00 H ATOM 938 N LYS B 2 -4.018 -48.045 -0.529 1.00 37.90 N ATOM 939 CA LYS B 2 -4.352 -46.695 -0.129 1.00 34.00 C ATOM 940 C LYS B 2 -4.149 -46.563 1.373 1.00 35.86 C ATOM 941 O LYS B 2 -4.203 -47.555 2.114 1.00 43.22 O ATOM 942 CB LYS B 2 -5.803 -46.339 -0.480 1.00 35.30 C ATOM 943 CG LYS B 2 -6.161 -46.463 -1.953 1.00 42.08 C ATOM 944 CD LYS B 2 -5.443 -45.423 -2.796 1.00 41.40 C ATOM 945 CE LYS B 2 -5.537 -45.792 -4.285 1.00 43.19 C ATOM 946 NZ LYS B 2 -4.990 -44.700 -5.103 1.00 38.26 N ATOM 947 HZ1 LYS B 2 -5.534 -43.831 -4.928 1.00 0.00 H ATOM 948 HZ2 LYS B 2 -3.994 -44.544 -4.849 1.00 0.00 H ATOM 949 HZ3 LYS B 2 -5.056 -44.955 -6.109 1.00 0.00 H ATOM 950 H LYS B 2 -4.505 -48.839 -0.066 1.00 0.00 H ATOM 951 N MET B 3 -3.935 -45.334 1.822 1.00 36.62 N ATOM 952 CA MET B 3 -3.854 -45.048 3.258 1.00 39.23 C ATOM 953 C MET B 3 -5.125 -44.333 3.667 1.00 40.66 C ATOM 954 O MET B 3 -5.477 -43.294 3.095 1.00 37.04 O ATOM 955 CB MET B 3 -2.616 -44.202 3.589 1.00 35.58 C ATOM 956 CG MET B 3 -2.553 -43.700 5.061 1.00 32.86 C ATOM 957 SD MET B 3 -2.626 -45.047 6.270 1.00 39.25 S ATOM 958 CE MET B 3 -1.068 -45.891 5.975 1.00 42.69 C ATOM 959 H MET B 3 -3.822 -44.556 1.141 1.00 0.00 H ATOM 960 N ILE B 4 -5.841 -44.918 4.619 1.00 36.83 N ATOM 961 CA ILE B 4 -7.050 -44.307 5.142 1.00 30.02 C ATOM 962 C ILE B 4 -6.697 -43.577 6.434 1.00 41.62 C ATOM 963 O ILE B 4 -6.131 -44.171 7.337 1.00 41.29 O ATOM 964 CB ILE B 4 -8.153 -45.335 5.413 1.00 35.85 C ATOM 965 CG1 ILE B 4 -8.916 -45.696 4.131 1.00 49.91 C ATOM 966 CG2 ILE B 4 -9.206 -44.735 6.309 1.00 39.02 C ATOM 967 CD1 ILE B 4 -8.094 -46.237 3.024 1.00 54.60 C ATOM 968 H ILE B 4 -5.529 -45.835 4.999 1.00 0.00 H ATOM 969 N ILE B 5 -6.998 -42.286 6.513 1.00 40.43 N ATOM 970 CA ILE B 5 -6.829 -41.569 7.781 1.00 34.78 C ATOM 971 C ILE B 5 -8.204 -41.178 8.272 1.00 39.25 C ATOM 972 O ILE B 5 -8.883 -40.368 7.645 1.00 41.10 O ATOM 973 CB ILE B 5 -5.940 -40.329 7.632 1.00 32.90 C ATOM 974 CG1 ILE B 5 -4.559 -40.724 7.111 1.00 35.21 C ATOM 975 CG2 ILE B 5 -5.810 -39.550 8.983 1.00 30.91 C ATOM 976 CD1 ILE B 5 -3.690 -39.503 6.809 1.00 40.11 C ATOM 977 H ILE B 5 -7.354 -41.783 5.675 1.00 0.00 H ATOM 978 N ALA B 6 -8.633 -41.772 9.384 1.00 36.48 N ATOM 979 CA ALA B 6 -9.976 -41.513 9.863 1.00 47.20 C ATOM 980 C ALA B 6 -9.966 -40.896 11.244 1.00 39.64 C ATOM 981 O ALA B 6 -9.471 -41.504 12.201 1.00 37.03 O ATOM 982 CB ALA B 6 -10.779 -42.787 9.868 1.00 45.98 C ATOM 983 H ALA B 6 -8.007 -42.418 9.906 1.00 0.00 H ATOM 984 N ILE B 7 -10.529 -39.694 11.341 1.00 44.10 N ATOM 985 CA ILE B 7 -10.688 -39.003 12.620 1.00 44.84 C ATOM 986 C ILE B 7 -12.105 -39.213 13.170 1.00 47.71 C ATOM 987 O ILE B 7 -13.099 -38.795 12.558 1.00 40.51 O ATOM 988 CB ILE B 7 -10.386 -37.487 12.486 1.00 42.94 C ATOM 989 CG1 ILE B 7 -8.978 -37.274 11.907 1.00 40.50 C ATOM 990 CG2 ILE B 7 -10.554 -36.774 13.829 1.00 37.99 C ATOM 991 CD1 ILE B 7 -8.980 -36.549 10.560 1.00 37.98 C ATOM 992 H ILE B 7 -10.869 -39.229 10.475 1.00 0.00 H ATOM 993 N VAL B 8 -12.192 -39.875 14.324 1.00 44.19 N ATOM 994 CA VAL B 8 -13.474 -40.241 14.924 1.00 42.99 C ATOM 995 C VAL B 8 -13.540 -39.821 16.394 1.00 43.77 C ATOM 996 O VAL B 8 -12.520 -39.466 16.990 1.00 46.75 O ATOM 997 CB VAL B 8 -13.725 -41.768 14.817 1.00 44.50 C ATOM 998 CG1 VAL B 8 -13.703 -42.219 13.350 1.00 39.60 C ATOM 999 CG2 VAL B 8 -12.674 -42.538 15.607 1.00 43.30 C ATOM 1000 H VAL B 8 -11.315 -40.141 14.816 1.00 0.00 H ATOM 1001 N GLN B 9 -14.735 -39.859 16.974 1.00 50.82 N ATOM 1002 CA GLN B 9 -14.913 -39.517 18.385 1.00 54.82 C ATOM 1003 C GLN B 9 -14.332 -40.597 19.286 1.00 60.26 C ATOM 1004 O GLN B 9 -14.383 -41.777 18.947 1.00 55.64 O ATOM 1005 CB GLN B 9 -16.398 -39.311 18.714 1.00 53.32 C ATOM 1006 CG GLN B 9 -17.066 -38.204 17.912 1.00 73.88 C ATOM 1007 CD GLN B 9 -16.375 -36.852 18.068 1.00 84.42 C ATOM 1008 OE1 GLN B 9 -15.748 -36.569 19.090 1.00 85.71 O ATOM 1009 NE2 GLN B 9 -16.492 -36.012 17.046 1.00 89.97 N ATOM 1010 HE22 GLN B 9 -17.031 -36.292 16.202 1.00 0.00 H ATOM 1011 HE21 GLN B 9 -16.045 -35.074 17.090 1.00 0.00 H ATOM 1012 H GLN B 9 -15.564 -40.139 16.411 1.00 0.00 H ATOM 1013 N ASP B 10 -13.797 -40.197 20.436 1.00 58.61 N ATOM 1014 CA ASP B 10 -13.191 -41.147 21.368 1.00 52.10 C ATOM 1015 C ASP B 10 -14.169 -42.238 21.787 1.00 51.42 C ATOM 1016 O ASP B 10 -13.796 -43.405 21.954 1.00 56.90 O ATOM 1017 CB ASP B 10 -12.661 -40.427 22.614 1.00 60.99 C ATOM 1018 CG ASP B 10 -11.236 -39.946 22.445 1.00 70.80 C ATOM 1019 OD1 ASP B 10 -10.558 -40.408 21.499 1.00 72.52 O ATOM 1020 OD2 ASP B 10 -10.787 -39.121 23.267 1.00 82.97 O ATOM 1021 H ASP B 10 -13.810 -39.186 20.678 1.00 0.00 H ATOM 1022 N GLN B 11 -15.426 -41.856 21.944 1.00 50.33 N ATOM 1023 CA GLN B 11 -16.433 -42.773 22.456 1.00 53.76 C ATOM 1024 C GLN B 11 -16.841 -43.812 21.423 1.00 58.80 C ATOM 1025 O GLN B 11 -17.558 -44.750 21.737 1.00 67.74 O ATOM 1026 CB GLN B 11 -17.658 -41.996 22.921 1.00 71.67 C ATOM 1027 CG GLN B 11 -18.397 -41.292 21.800 1.00 71.85 C ATOM 1028 CD GLN B 11 -19.517 -40.421 22.326 1.00 85.25 C ATOM 1029 OE1 GLN B 11 -19.510 -40.022 23.491 1.00 93.75 O ATOM 1030 NE2 GLN B 11 -20.492 -40.129 21.474 1.00 95.59 N ATOM 1031 HE22 GLN B 11 -20.455 -40.489 20.499 1.00 0.00 H ATOM 1032 HE21 GLN B 11 -21.293 -39.541 21.782 1.00 0.00 H ATOM 1033 H GLN B 11 -15.699 -40.883 21.697 1.00 0.00 H ATOM 1034 N ASP B 12 -16.400 -43.629 20.183 1.00 55.67 N ATOM 1035 CA ASP B 12 -16.671 -44.592 19.124 1.00 56.93 C ATOM 1036 C ASP B 12 -15.434 -45.422 18.743 1.00 50.34 C ATOM 1037 O ASP B 12 -15.556 -46.384 17.990 1.00 56.31 O ATOM 1038 CB ASP B 12 -17.201 -43.882 17.869 1.00 50.58 C ATOM 1039 CG ASP B 12 -18.614 -43.353 18.034 1.00 59.75 C ATOM 1040 OD1 ASP B 12 -19.287 -43.670 19.042 1.00 60.37 O ATOM 1041 OD2 ASP B 12 -19.056 -42.609 17.137 1.00 65.87 O ATOM 1042 H ASP B 12 -15.847 -42.776 19.963 1.00 0.00 H ATOM 1043 N SER B 13 -14.256 -45.065 19.252 1.00 48.90 N ATOM 1044 CA SER B 13 -13.010 -45.709 18.795 1.00 51.90 C ATOM 1045 C SER B 13 -12.974 -47.204 19.113 1.00 49.76 C ATOM 1046 O SER B 13 -12.471 -48.006 18.333 1.00 61.43 O ATOM 1047 CB SER B 13 -11.789 -45.015 19.405 1.00 60.10 C ATOM 1048 OG SER B 13 -11.758 -45.169 20.811 1.00 74.56 O ATOM 1049 HG SER B 13 -12.575 -44.771 21.203 1.00 0.00 H ATOM 1050 H SER B 13 -14.214 -44.324 19.980 1.00 0.00 H ATOM 1051 N GLN B 14 -13.525 -47.566 20.262 1.00 56.13 N ATOM 1052 CA GLN B 14 -13.618 -48.954 20.675 1.00 60.17 C ATOM 1053 C GLN B 14 -14.458 -49.789 19.700 1.00 60.52 C ATOM 1054 O GLN B 14 -14.062 -50.890 19.320 1.00 60.19 O ATOM 1055 CB GLN B 14 -14.196 -49.019 22.089 1.00 60.64 C ATOM 1056 CG GLN B 14 -13.268 -48.421 23.153 1.00 63.18 C ATOM 1057 CD GLN B 14 -13.303 -46.889 23.244 1.00 63.32 C ATOM 1058 OE1 GLN B 14 -14.001 -46.206 22.486 1.00 51.38 O ATOM 1059 NE2 GLN B 14 -12.544 -46.350 24.192 1.00 69.77 N ATOM 1060 HE22 GLN B 14 -11.971 -46.960 24.809 1.00 0.00 H ATOM 1061 HE21 GLN B 14 -12.523 -45.318 24.317 1.00 0.00 H ATOM 1062 H GLN B 14 -13.904 -46.829 20.890 1.00 0.00 H ATOM 1063 N GLU B 15 -15.609 -49.265 19.287 1.00 55.53 N ATOM 1064 CA GLU B 15 -16.487 -49.994 18.370 1.00 60.62 C ATOM 1065 C GLU B 15 -15.862 -50.146 16.974 1.00 56.91 C ATOM 1066 O GLU B 15 -16.037 -51.183 16.322 1.00 53.21 O ATOM 1067 CB GLU B 15 -17.847 -49.304 18.245 1.00 53.17 C ATOM 1068 CG GLU B 15 -18.782 -49.463 19.448 1.00 57.61 C ATOM 1069 CD GLU B 15 -18.517 -48.470 20.579 1.00 69.71 C ATOM 1070 OE1 GLU B 15 -19.249 -48.558 21.594 1.00 77.64 O ATOM 1071 OE2 GLU B 15 -17.590 -47.622 20.467 1.00 55.15 O ATOM 1072 H GLU B 15 -15.890 -48.321 19.621 1.00 0.00 H ATOM 1073 N LEU B 16 -15.161 -49.117 16.504 1.00 57.39 N ATOM 1074 CA LEU B 16 -14.534 -49.177 15.180 1.00 51.44 C ATOM 1075 C LEU B 16 -13.392 -50.188 15.149 1.00 57.64 C ATOM 1076 O LEU B 16 -13.292 -50.985 14.212 1.00 55.05 O ATOM 1077 CB LEU B 16 -14.017 -47.795 14.740 1.00 45.53 C ATOM 1078 CG LEU B 16 -13.233 -47.760 13.420 1.00 46.09 C ATOM 1079 CD1 LEU B 16 -14.110 -48.225 12.254 1.00 46.42 C ATOM 1080 CD2 LEU B 16 -12.641 -46.377 13.131 1.00 45.77 C ATOM 1081 H LEU B 16 -15.057 -48.260 17.083 1.00 0.00 H ATOM 1082 N ALA B 17 -12.529 -50.141 16.164 1.00 62.02 N ATOM 1083 CA ALA B 17 -11.413 -51.077 16.285 1.00 58.56 C ATOM 1084 C ALA B 17 -11.891 -52.528 16.261 1.00 56.35 C ATOM 1085 O ALA B 17 -11.290 -53.374 15.605 1.00 58.19 O ATOM 1086 CB ALA B 17 -10.621 -50.805 17.561 1.00 58.20 C ATOM 1087 H ALA B 17 -12.654 -49.413 16.896 1.00 0.00 H ATOM 1088 N ASP B 18 -12.975 -52.819 16.969 1.00 58.49 N ATOM 1089 CA ASP B 18 -13.490 -54.190 16.993 1.00 62.14 C ATOM 1090 C ASP B 18 -14.065 -54.626 15.635 1.00 65.32 C ATOM 1091 O ASP B 18 -13.884 -55.770 15.225 1.00 54.20 O ATOM 1092 CB ASP B 18 -14.536 -54.360 18.103 1.00 81.54 C ATOM 1093 CG ASP B 18 -13.903 -54.616 19.467 1.00103.57 C ATOM 1094 OD1 ASP B 18 -12.956 -55.430 19.535 1.00113.55 O ATOM 1095 OD2 ASP B 18 -14.349 -54.012 20.467 1.00108.44 O ATOM 1096 H ASP B 18 -13.459 -52.073 17.507 1.00 0.00 H ATOM 1097 N GLN B 19 -14.722 -53.712 14.923 1.00 58.57 N ATOM 1098 CA GLN B 19 -15.368 -54.062 13.655 1.00 58.64 C ATOM 1099 C GLN B 19 -14.354 -54.173 12.517 1.00 58.67 C ATOM 1100 O GLN B 19 -14.551 -54.935 11.564 1.00 57.41 O ATOM 1101 CB GLN B 19 -16.447 -53.034 13.302 1.00 66.36 C ATOM 1102 CG GLN B 19 -17.379 -53.456 12.177 1.00 77.20 C ATOM 1103 CD GLN B 19 -18.332 -54.575 12.565 1.00 75.25 C ATOM 1104 OE1 GLN B 19 -18.494 -54.897 13.742 1.00 78.19 O ATOM 1105 NE2 GLN B 19 -18.967 -55.178 11.566 1.00 83.51 N ATOM 1106 HE22 GLN B 19 -18.801 -54.874 10.585 1.00 0.00 H ATOM 1107 HE21 GLN B 19 -19.630 -55.954 11.765 1.00 0.00 H ATOM 1108 H GLN B 19 -14.777 -52.734 15.273 1.00 0.00 H ATOM 1109 N LEU B 20 -13.271 -53.406 12.616 1.00 46.32 N ATOM 1110 CA LEU B 20 -12.161 -53.528 11.683 1.00 50.43 C ATOM 1111 C LEU B 20 -11.478 -54.883 11.857 1.00 61.67 C ATOM 1112 O LEU B 20 -11.067 -55.516 10.884 1.00 58.51 O ATOM 1113 CB LEU B 20 -11.155 -52.394 11.892 1.00 43.89 C ATOM 1114 CG LEU B 20 -11.568 -50.968 11.501 1.00 50.81 C ATOM 1115 CD1 LEU B 20 -10.502 -49.956 11.940 1.00 46.87 C ATOM 1116 CD2 LEU B 20 -11.847 -50.834 9.995 1.00 46.42 C ATOM 1117 H LEU B 20 -13.217 -52.702 13.379 1.00 0.00 H ATOM 1118 N VAL B 21 -11.356 -55.320 13.105 1.00 63.91 N ATOM 1119 CA VAL B 21 -10.735 -56.607 13.399 1.00 56.87 C ATOM 1120 C VAL B 21 -11.582 -57.735 12.834 1.00 56.73 C ATOM 1121 O VAL B 21 -11.058 -58.614 12.146 1.00 59.07 O ATOM 1122 CB VAL B 21 -10.520 -56.801 14.915 1.00 55.23 C ATOM 1123 CG1 VAL B 21 -10.357 -58.289 15.263 1.00 59.53 C ATOM 1124 CG2 VAL B 21 -9.309 -55.987 15.373 1.00 62.11 C ATOM 1125 H VAL B 21 -11.710 -54.734 13.888 1.00 0.00 H ATOM 1126 N LYS B 22 -12.887 -57.696 13.104 1.00 53.83 N ATOM 1127 CA LYS B 22 -13.813 -58.712 12.597 1.00 59.14 C ATOM 1128 C LYS B 22 -13.744 -58.833 11.066 1.00 63.02 C ATOM 1129 O LYS B 22 -13.887 -59.927 10.516 1.00 70.11 O ATOM 1130 CB LYS B 22 -15.245 -58.398 13.045 1.00 67.64 C ATOM 1131 CG LYS B 22 -16.337 -58.968 12.145 1.00 77.50 C ATOM 1132 CD LYS B 22 -17.638 -59.196 12.891 1.00 73.38 C ATOM 1133 CE LYS B 22 -18.595 -60.041 12.063 1.00 73.06 C ATOM 1134 NZ LYS B 22 -19.519 -60.844 12.907 1.00 77.47 N ATOM 1135 HZ1 LYS B 22 -18.966 -61.484 13.512 1.00 0.00 H ATOM 1136 HZ2 LYS B 22 -20.086 -60.206 13.502 1.00 0.00 H ATOM 1137 HZ3 LYS B 22 -20.149 -61.401 12.295 1.00 0.00 H ATOM 1138 H LYS B 22 -13.258 -56.922 13.691 1.00 0.00 H ATOM 1139 N ASN B 23 -13.485 -57.710 10.399 1.00 61.32 N ATOM 1140 CA ASN B 23 -13.469 -57.635 8.939 1.00 61.96 C ATOM 1141 C ASN B 23 -12.075 -57.750 8.294 1.00 58.69 C ATOM 1142 O ASN B 23 -11.903 -57.397 7.129 1.00 55.02 O ATOM 1143 CB ASN B 23 -14.123 -56.320 8.493 1.00 58.65 C ATOM 1144 CG ASN B 23 -15.612 -56.262 8.817 1.00 63.46 C ATOM 1145 OD1 ASN B 23 -16.426 -56.862 8.123 1.00 64.17 O ATOM 1146 ND2 ASN B 23 -15.972 -55.526 9.862 1.00 64.99 N ATOM 1147 HD22 ASN B 23 -15.249 -55.033 10.425 1.00 0.00 H ATOM 1148 HD21 ASN B 23 -16.977 -55.443 10.118 1.00 0.00 H ATOM 1149 H ASN B 23 -13.285 -56.846 10.942 1.00 0.00 H ATOM 1150 N ASN B 24 -11.092 -58.234 9.057 1.00 57.61 N ATOM 1151 CA ASN B 24 -9.719 -58.471 8.575 1.00 66.87 C ATOM 1152 C ASN B 24 -8.984 -57.224 8.054 1.00 66.45 C ATOM 1153 O ASN B 24 -8.124 -57.331 7.171 1.00 68.02 O ATOM 1154 CB ASN B 24 -9.710 -59.544 7.476 1.00 60.59 C ATOM 1155 CG ASN B 24 -10.514 -60.778 7.851 1.00 76.43 C ATOM 1156 OD1 ASN B 24 -10.308 -61.376 8.912 1.00 75.42 O ATOM 1157 ND2 ASN B 24 -11.446 -61.162 6.978 1.00 73.87 N ATOM 1158 HD22 ASN B 24 -11.585 -60.628 6.097 1.00 0.00 H ATOM 1159 HD21 ASN B 24 -12.034 -61.996 7.179 1.00 0.00 H ATOM 1160 H ASN B 24 -11.308 -58.457 10.050 1.00 0.00 H ATOM 1161 N PHE B 25 -9.324 -56.055 8.601 1.00 55.90 N ATOM 1162 CA PHE B 25 -8.565 -54.827 8.367 1.00 57.23 C ATOM 1163 C PHE B 25 -7.553 -54.604 9.485 1.00 59.89 C ATOM 1164 O PHE B 25 -7.867 -54.818 10.651 1.00 52.77 O ATOM 1165 CB PHE B 25 -9.489 -53.604 8.279 1.00 54.64 C ATOM 1166 CG PHE B 25 -10.364 -53.587 7.065 1.00 50.15 C ATOM 1167 CD1 PHE B 25 -9.820 -53.375 5.807 1.00 45.12 C ATOM 1168 CD2 PHE B 25 -11.734 -53.770 7.179 1.00 46.40 C ATOM 1169 CE1 PHE B 25 -10.635 -53.355 4.687 1.00 44.35 C ATOM 1170 CE2 PHE B 25 -12.552 -53.756 6.056 1.00 50.49 C ATOM 1171 CZ PHE B 25 -12.003 -53.547 4.815 1.00 52.69 C ATOM 1172 H PHE B 25 -10.161 -56.016 9.217 1.00 0.00 H ATOM 1173 N ARG B 26 -6.352 -54.157 9.132 1.00 43.32 N ATOM 1174 CA ARG B 26 -5.334 -53.812 10.130 1.00 48.48 C ATOM 1175 C ARG B 26 -5.420 -52.311 10.418 1.00 55.29 C ATOM 1176 O ARG B 26 -5.818 -51.540 9.545 1.00 49.17 O ATOM 1177 CB ARG B 26 -3.923 -54.194 9.645 1.00 45.32 C ATOM 1178 CG ARG B 26 -3.455 -55.620 9.991 1.00 44.55 C ATOM 1179 CD ARG B 26 -4.322 -56.682 9.307 1.00 52.08 C ATOM 1180 NE ARG B 26 -3.709 -58.009 9.343 1.00 52.19 N ATOM 1181 CZ ARG B 26 -4.320 -59.126 8.958 1.00 55.28 C ATOM 1182 NH1 ARG B 26 -5.572 -59.076 8.523 1.00 58.20 N ATOM 1183 NH2 ARG B 26 -3.685 -60.294 9.019 1.00 49.65 N ATOM 1184 HE ARG B 26 -2.732 -58.084 9.692 1.00 0.00 H ATOM 1185 HH12 ARG B 26 -6.053 -59.947 8.221 1.00 0.00 H ATOM 1186 HH11 ARG B 26 -6.073 -58.165 8.484 1.00 0.00 H ATOM 1187 HH22 ARG B 26 -4.167 -61.164 8.717 1.00 0.00 H ATOM 1188 HH21 ARG B 26 -2.707 -60.336 9.369 1.00 0.00 H ATOM 1189 H ARG B 26 -6.128 -54.049 8.122 1.00 0.00 H ATOM 1190 N ALA B 27 -5.050 -51.885 11.629 1.00 44.36 N ATOM 1191 CA ALA B 27 -5.168 -50.465 11.993 1.00 40.99 C ATOM 1192 C ALA B 27 -4.166 -50.032 13.063 1.00 41.78 C ATOM 1193 O ALA B 27 -3.742 -50.838 13.877 1.00 42.33 O ATOM 1194 CB ALA B 27 -6.578 -50.164 12.469 1.00 47.39 C ATOM 1195 H ALA B 27 -4.675 -52.564 12.321 1.00 0.00 H ATOM 1196 N THR B 28 -3.791 -48.756 13.028 1.00 37.28 N ATOM 1197 CA THR B 28 -2.956 -48.149 14.054 1.00 44.19 C ATOM 1198 C THR B 28 -3.711 -46.921 14.578 1.00 43.59 C ATOM 1199 O THR B 28 -4.223 -46.145 13.778 1.00 44.43 O ATOM 1200 CB THR B 28 -1.574 -47.768 13.490 1.00 38.83 C ATOM 1201 OG1 THR B 28 -0.874 -48.964 13.109 1.00 41.30 O ATOM 1202 CG2 THR B 28 -0.747 -47.026 14.530 1.00 40.28 C ATOM 1203 HG1 THR B 28 0.015 -48.723 12.746 1.00 0.00 H ATOM 1204 H THR B 28 -4.109 -48.166 12.232 1.00 0.00 H ATOM 1205 N LYS B 29 -3.824 -46.780 15.902 1.00 38.53 N ATOM 1206 CA LYS B 29 -4.604 -45.697 16.518 1.00 39.42 C ATOM 1207 C LYS B 29 -3.727 -44.638 17.165 1.00 44.34 C ATOM 1208 O LYS B 29 -2.734 -44.959 17.834 1.00 46.11 O ATOM 1209 CB LYS B 29 -5.551 -46.220 17.618 1.00 48.93 C ATOM 1210 CG LYS B 29 -6.385 -47.435 17.301 1.00 62.38 C ATOM 1211 CD LYS B 29 -7.569 -47.564 18.289 1.00 73.52 C ATOM 1212 CE LYS B 29 -7.161 -47.689 19.757 1.00 81.93 C ATOM 1213 NZ LYS B 29 -7.035 -46.377 20.469 1.00 83.57 N ATOM 1214 HZ1 LYS B 29 -6.312 -45.796 19.998 1.00 0.00 H ATOM 1215 HZ2 LYS B 29 -7.949 -45.882 20.445 1.00 0.00 H ATOM 1216 HZ3 LYS B 29 -6.756 -46.545 21.457 1.00 0.00 H ATOM 1217 H LYS B 29 -3.341 -47.463 16.520 1.00 0.00 H ATOM 1218 N LEU B 30 -4.152 -43.387 17.029 1.00 39.73 N ATOM 1219 CA LEU B 30 -3.444 -42.216 17.561 1.00 47.11 C ATOM 1220 C LEU B 30 -4.401 -41.436 18.455 1.00 44.44 C ATOM 1221 O LEU B 30 -5.471 -41.051 18.000 1.00 46.16 O ATOM 1222 CB LEU B 30 -2.947 -41.284 16.422 1.00 36.23 C ATOM 1223 CG LEU B 30 -1.824 -41.632 15.455 1.00 48.64 C ATOM 1224 CD1 LEU B 30 -2.043 -43.003 14.815 1.00 41.34 C ATOM 1225 CD2 LEU B 30 -1.741 -40.565 14.360 1.00 49.04 C ATOM 1226 H LEU B 30 -5.041 -43.227 16.514 1.00 0.00 H ATOM 1227 N ALA B 31 -4.040 -41.196 19.707 1.00 48.81 N ATOM 1228 CA ALA B 31 -4.809 -40.265 20.534 1.00 48.80 C ATOM 1229 C ALA B 31 -4.528 -38.868 20.005 1.00 52.52 C ATOM 1230 O ALA B 31 -3.379 -38.421 20.015 1.00 50.58 O ATOM 1231 CB ALA B 31 -4.443 -40.401 21.997 1.00 56.58 C ATOM 1232 H ALA B 31 -3.205 -41.672 20.105 1.00 0.00 H ATOM 1233 N THR B 32 -5.553 -38.187 19.499 1.00 42.86 N ATOM 1234 CA THR B 32 -5.332 -36.849 18.956 1.00 42.39 C ATOM 1235 C THR B 32 -6.224 -35.834 19.641 1.00 46.73 C ATOM 1236 O THR B 32 -6.937 -36.155 20.580 1.00 45.12 O ATOM 1237 CB THR B 32 -5.579 -36.797 17.449 1.00 40.91 C ATOM 1238 OG1 THR B 32 -6.848 -37.389 17.147 1.00 47.72 O ATOM 1239 CG2 THR B 32 -4.507 -37.590 16.724 1.00 41.18 C ATOM 1240 HG1 THR B 32 -7.563 -36.890 17.615 1.00 0.00 H ATOM 1241 H THR B 32 -6.505 -38.605 19.490 1.00 0.00 H ATOM 1242 N THR B 33 -6.175 -34.600 19.167 1.00 43.43 N ATOM 1243 CA THR B 33 -7.084 -33.594 19.679 1.00 37.07 C ATOM 1244 C THR B 33 -7.506 -32.664 18.546 1.00 47.47 C ATOM 1245 O THR B 33 -6.774 -32.468 17.563 1.00 45.83 O ATOM 1246 CB THR B 33 -6.457 -32.802 20.841 1.00 47.08 C ATOM 1247 OG1 THR B 33 -7.488 -32.147 21.577 1.00 51.53 O ATOM 1248 CG2 THR B 33 -5.469 -31.779 20.339 1.00 36.59 C ATOM 1249 HG1 THR B 33 -8.115 -32.823 21.937 1.00 0.00 H ATOM 1250 H THR B 33 -5.486 -34.352 18.429 1.00 0.00 H ATOM 1251 N GLY B 34 -8.731 -32.151 18.649 1.00 50.11 N ATOM 1252 CA GLY B 34 -9.300 -31.328 17.591 1.00 48.90 C ATOM 1253 C GLY B 34 -8.836 -29.887 17.677 1.00 45.47 C ATOM 1254 O GLY B 34 -8.659 -29.351 18.765 1.00 51.01 O ATOM 1255 H GLY B 34 -9.293 -32.342 19.503 1.00 0.00 H ATOM 1256 N GLY B 35 -8.632 -29.254 16.530 1.00 48.76 N ATOM 1257 CA GLY B 35 -8.151 -27.885 16.518 1.00 50.23 C ATOM 1258 C GLY B 35 -9.181 -26.901 17.020 1.00 54.63 C ATOM 1259 O GLY B 35 -8.832 -25.897 17.640 1.00 51.71 O ATOM 1260 H GLY B 35 -8.818 -29.743 15.631 1.00 0.00 H ATOM 1261 N PHE B 36 -10.457 -27.185 16.759 1.00 43.26 N ATOM 1262 CA PHE B 36 -11.515 -26.233 17.077 1.00 54.86 C ATOM 1263 C PHE B 36 -12.025 -26.361 18.515 1.00 55.13 C ATOM 1264 O PHE B 36 -12.046 -25.383 19.261 1.00 53.68 O ATOM 1265 CB PHE B 36 -12.679 -26.386 16.091 1.00 53.64 C ATOM 1266 CG PHE B 36 -13.770 -25.365 16.279 1.00 59.43 C ATOM 1267 CD1 PHE B 36 -13.586 -24.055 15.872 1.00 62.36 C ATOM 1268 CD2 PHE B 36 -14.980 -25.717 16.858 1.00 61.67 C ATOM 1269 CE1 PHE B 36 -14.590 -23.107 16.045 1.00 78.20 C ATOM 1270 CE2 PHE B 36 -15.990 -24.777 17.036 1.00 68.06 C ATOM 1271 CZ PHE B 36 -15.797 -23.469 16.628 1.00 70.85 C ATOM 1272 H PHE B 36 -10.701 -28.097 16.323 1.00 0.00 H ATOM 1273 N LEU B 37 -12.440 -27.559 18.912 1.00 52.39 N ATOM 1274 CA LEU B 37 -13.017 -27.729 20.244 1.00 62.84 C ATOM 1275 C LEU B 37 -11.939 -28.042 21.277 1.00 61.03 C ATOM 1276 O LEU B 37 -12.181 -27.952 22.481 1.00 57.93 O ATOM 1277 CB LEU B 37 -14.081 -28.827 20.229 1.00 59.58 C ATOM 1278 CG LEU B 37 -15.317 -28.445 19.415 1.00 56.37 C ATOM 1279 CD1 LEU B 37 -16.331 -29.575 19.413 1.00 65.60 C ATOM 1280 CD2 LEU B 37 -15.927 -27.166 19.945 1.00 56.08 C ATOM 1281 H LEU B 37 -12.354 -28.376 18.275 1.00 0.00 H ATOM 1282 N ARG B 38 -10.757 -28.412 20.788 1.00 54.20 N ATOM 1283 CA ARG B 38 -9.596 -28.690 21.630 1.00 59.58 C ATOM 1284 C ARG B 38 -9.891 -29.767 22.670 1.00 66.12 C ATOM 1285 O ARG B 38 -9.514 -29.655 23.843 1.00 56.28 O ATOM 1286 CB ARG B 38 -9.102 -27.395 22.293 1.00 70.06 C ATOM 1287 CG ARG B 38 -8.293 -26.522 21.334 1.00 85.51 C ATOM 1288 CD ARG B 38 -8.019 -25.121 21.864 1.00102.16 C ATOM 1289 NE ARG B 38 -7.397 -24.286 20.835 1.00106.42 N ATOM 1290 CZ ARG B 38 -8.065 -23.625 19.893 1.00104.08 C ATOM 1291 NH1 ARG B 38 -9.390 -23.675 19.847 1.00104.72 N ATOM 1292 NH2 ARG B 38 -7.407 -22.901 19.001 1.00101.28 N ATOM 1293 HE ARG B 38 -6.360 -24.204 20.841 1.00 0.00 H ATOM 1294 HH12 ARG B 38 -9.905 -23.155 19.108 1.00 0.00 H ATOM 1295 HH11 ARG B 38 -9.914 -24.234 20.550 1.00 0.00 H ATOM 1296 HH22 ARG B 38 -7.928 -22.384 18.264 1.00 0.00 H ATOM 1297 HH21 ARG B 38 -6.369 -22.849 19.037 1.00 0.00 H ATOM 1298 H ARG B 38 -10.656 -28.508 19.757 1.00 0.00 H ATOM 1299 N ALA B 39 -10.575 -30.813 22.223 1.00 55.65 N ATOM 1300 CA ALA B 39 -10.876 -31.960 23.069 1.00 61.14 C ATOM 1301 C ALA B 39 -10.327 -33.211 22.416 1.00 56.78 C ATOM 1302 O ALA B 39 -10.075 -33.232 21.205 1.00 50.14 O ATOM 1303 CB ALA B 39 -12.371 -32.085 23.301 1.00 67.91 C ATOM 1304 H ALA B 39 -10.907 -30.814 21.237 1.00 0.00 H ATOM 1305 N GLY B 40 -10.130 -34.253 23.210 1.00 51.33 N ATOM 1306 CA GLY B 40 -9.527 -35.463 22.687 1.00 50.02 C ATOM 1307 C GLY B 40 -10.392 -36.112 21.626 1.00 49.51 C ATOM 1308 O GLY B 40 -11.619 -36.088 21.707 1.00 51.99 O ATOM 1309 H GLY B 40 -10.409 -34.203 24.211 1.00 0.00 H ATOM 1310 N ASN B 41 -9.756 -36.655 20.599 1.00 46.70 N ATOM 1311 CA ASN B 41 -10.439 -37.557 19.683 1.00 50.70 C ATOM 1312 C ASN B 41 -9.429 -38.615 19.243 1.00 47.75 C ATOM 1313 O ASN B 41 -8.314 -38.656 19.749 1.00 42.06 O ATOM 1314 CB ASN B 41 -11.081 -36.816 18.492 1.00 55.55 C ATOM 1315 CG ASN B 41 -10.127 -35.858 17.773 1.00 54.05 C ATOM 1316 OD1 ASN B 41 -8.903 -36.001 17.825 1.00 41.11 O ATOM 1317 ND2 ASN B 41 -10.707 -34.870 17.078 1.00 48.11 N ATOM 1318 HD22 ASN B 41 -11.743 -34.785 17.061 1.00 0.00 H ATOM 1319 HD21 ASN B 41 -10.121 -34.188 16.556 1.00 0.00 H ATOM 1320 H ASN B 41 -8.752 -36.433 20.444 1.00 0.00 H ATOM 1321 N THR B 42 -9.832 -39.511 18.359 1.00 43.64 N ATOM 1322 CA THR B 42 -8.956 -40.615 17.976 1.00 39.58 C ATOM 1323 C THR B 42 -8.730 -40.624 16.470 1.00 40.47 C ATOM 1324 O THR B 42 -9.680 -40.490 15.689 1.00 43.88 O ATOM 1325 CB THR B 42 -9.548 -41.972 18.429 1.00 42.03 C ATOM 1326 OG1 THR B 42 -9.721 -41.968 19.847 1.00 45.99 O ATOM 1327 CG2 THR B 42 -8.639 -43.136 18.044 1.00 40.08 C ATOM 1328 HG1 THR B 42 -10.339 -41.237 20.101 1.00 0.00 H ATOM 1329 H THR B 42 -10.778 -39.429 17.934 1.00 0.00 H ATOM 1330 N THR B 43 -7.472 -40.770 16.058 1.00 43.23 N ATOM 1331 CA THR B 43 -7.159 -40.914 14.643 1.00 40.55 C ATOM 1332 C THR B 43 -6.647 -42.331 14.352 1.00 41.32 C ATOM 1333 O THR B 43 -5.722 -42.813 15.013 1.00 42.34 O ATOM 1334 CB THR B 43 -6.129 -39.846 14.197 1.00 43.13 C ATOM 1335 OG1 THR B 43 -6.666 -38.547 14.474 1.00 42.84 O ATOM 1336 CG2 THR B 43 -5.856 -39.922 12.695 1.00 30.64 C ATOM 1337 HG1 THR B 43 -6.839 -38.463 15.445 1.00 0.00 H ATOM 1338 H THR B 43 -6.702 -40.781 16.757 1.00 0.00 H ATOM 1339 N PHE B 44 -7.299 -43.007 13.397 1.00 36.34 N ATOM 1340 CA PHE B 44 -6.874 -44.321 12.906 1.00 32.51 C ATOM 1341 C PHE B 44 -6.086 -44.193 11.601 1.00 38.99 C ATOM 1342 O PHE B 44 -6.481 -43.441 10.692 1.00 38.71 O ATOM 1343 CB PHE B 44 -8.074 -45.241 12.632 1.00 30.29 C ATOM 1344 CG PHE B 44 -8.753 -45.776 13.863 1.00 40.30 C ATOM 1345 CD1 PHE B 44 -9.586 -44.972 14.622 1.00 49.03 C ATOM 1346 CD2 PHE B 44 -8.611 -47.110 14.219 1.00 45.03 C ATOM 1347 CE1 PHE B 44 -10.224 -45.478 15.757 1.00 42.92 C ATOM 1348 CE2 PHE B 44 -9.251 -47.621 15.340 1.00 53.28 C ATOM 1349 CZ PHE B 44 -10.058 -46.806 16.104 1.00 45.63 C ATOM 1350 H PHE B 44 -8.151 -42.577 12.983 1.00 0.00 H ATOM 1351 N LEU B 45 -5.002 -44.953 11.490 1.00 38.52 N ATOM 1352 CA LEU B 45 -4.319 -45.128 10.204 1.00 37.47 C ATOM 1353 C LEU B 45 -4.548 -46.555 9.681 1.00 38.20 C ATOM 1354 O LEU B 45 -4.231 -47.521 10.369 1.00 40.70 O ATOM 1355 CB LEU B 45 -2.822 -44.837 10.348 1.00 36.45 C ATOM 1356 CG LEU B 45 -2.424 -43.521 11.032 1.00 43.26 C ATOM 1357 CD1 LEU B 45 -0.883 -43.466 11.212 1.00 39.20 C ATOM 1358 CD2 LEU B 45 -2.947 -42.294 10.247 1.00 32.28 C ATOM 1359 H LEU B 45 -4.630 -45.434 12.333 1.00 0.00 H ATOM 1360 N CYS B 46 -5.121 -46.691 8.481 1.00 37.05 N ATOM 1361 CA CYS B 46 -5.448 -48.009 7.924 1.00 39.08 C ATOM 1362 C CYS B 46 -4.918 -48.179 6.503 1.00 39.95 C ATOM 1363 O CYS B 46 -5.426 -47.557 5.572 1.00 36.60 O ATOM 1364 CB CYS B 46 -6.960 -48.241 7.906 1.00 42.64 C ATOM 1365 SG CYS B 46 -7.760 -48.183 9.517 1.00 46.71 S ATOM 1366 H CYS B 46 -5.341 -45.839 7.927 1.00 0.00 H ATOM 1367 N GLY B 47 -3.893 -49.005 6.351 1.00 34.81 N ATOM 1368 CA GLY B 47 -3.369 -49.343 5.036 1.00 36.37 C ATOM 1369 C GLY B 47 -4.237 -50.453 4.481 1.00 37.80 C ATOM 1370 O GLY B 47 -4.407 -51.513 5.108 1.00 39.56 O ATOM 1371 H GLY B 47 -3.451 -49.423 7.194 1.00 0.00 H ATOM 1372 N VAL B 48 -4.804 -50.213 3.307 1.00 36.13 N ATOM 1373 CA VAL B 48 -5.723 -51.170 2.718 1.00 42.78 C ATOM 1374 C VAL B 48 -5.560 -51.274 1.202 1.00 41.67 C ATOM 1375 O VAL B 48 -5.213 -50.304 0.519 1.00 37.74 O ATOM 1376 CB VAL B 48 -7.180 -50.803 3.052 1.00 44.45 C ATOM 1377 CG1 VAL B 48 -7.659 -49.646 2.182 1.00 36.16 C ATOM 1378 CG2 VAL B 48 -8.075 -52.013 2.892 1.00 52.95 C ATOM 1379 H VAL B 48 -4.588 -49.330 2.802 1.00 0.00 H ATOM 1380 N ASN B 49 -5.776 -52.475 0.686 1.00 48.81 N ATOM 1381 CA ASN B 49 -5.772 -52.702 -0.753 1.00 48.97 C ATOM 1382 C ASN B 49 -6.891 -51.892 -1.412 1.00 48.67 C ATOM 1383 O ASN B 49 -7.998 -51.796 -0.875 1.00 47.58 O ATOM 1384 CB ASN B 49 -5.933 -54.190 -1.063 1.00 54.70 C ATOM 1385 CG ASN B 49 -5.830 -54.495 -2.549 1.00 78.93 C ATOM 1386 OD1 ASN B 49 -6.750 -54.220 -3.320 1.00 86.25 O ATOM 1387 ND2 ASN B 49 -4.710 -55.075 -2.955 1.00 84.60 N ATOM 1388 HD22 ASN B 49 -3.958 -55.290 -2.270 1.00 0.00 H ATOM 1389 HD21 ASN B 49 -4.583 -55.315 -3.959 1.00 0.00 H ATOM 1390 H ASN B 49 -5.953 -53.276 1.325 1.00 0.00 H ATOM 1391 N ASP B 50 -6.583 -51.300 -2.561 1.00 49.49 N ATOM 1392 CA ASP B 50 -7.528 -50.488 -3.327 1.00 52.37 C ATOM 1393 C ASP B 50 -8.901 -51.160 -3.456 1.00 49.82 C ATOM 1394 O ASP B 50 -9.938 -50.498 -3.362 1.00 49.98 O ATOM 1395 CB ASP B 50 -6.934 -50.199 -4.712 1.00 73.54 C ATOM 1396 CG ASP B 50 -7.869 -49.415 -5.607 1.00 93.86 C ATOM 1397 OD1 ASP B 50 -8.145 -48.233 -5.301 1.00 89.84 O ATOM 1398 OD2 ASP B 50 -8.315 -49.982 -6.629 1.00107.97 O ATOM 1399 H ASP B 50 -5.620 -51.420 -2.935 1.00 0.00 H ATOM 1400 N ASP B 51 -8.891 -52.478 -3.644 1.00 47.15 N ATOM 1401 CA ASP B 51 -10.113 -53.265 -3.825 1.00 52.88 C ATOM 1402 C ASP B 51 -11.064 -53.207 -2.624 1.00 50.47 C ATOM 1403 O ASP B 51 -12.238 -53.539 -2.747 1.00 48.25 O ATOM 1404 CB ASP B 51 -9.768 -54.736 -4.105 1.00 48.50 C ATOM 1405 CG ASP B 51 -8.924 -54.919 -5.364 1.00 80.49 C ATOM 1406 OD1 ASP B 51 -8.789 -53.954 -6.152 1.00 78.55 O ATOM 1407 OD2 ASP B 51 -8.399 -56.038 -5.567 1.00 94.22 O ATOM 1408 H ASP B 51 -7.975 -52.970 -3.663 1.00 0.00 H ATOM 1409 N ARG B 52 -10.564 -52.821 -1.461 1.00 46.09 N ATOM 1410 CA ARG B 52 -11.386 -52.889 -0.251 1.00 54.23 C ATOM 1411 C ARG B 52 -11.730 -51.520 0.357 1.00 50.07 C ATOM 1412 O ARG B 52 -12.241 -51.446 1.476 1.00 48.19 O ATOM 1413 CB ARG B 52 -10.691 -53.747 0.811 1.00 54.55 C ATOM 1414 CG ARG B 52 -10.425 -55.178 0.405 1.00 61.58 C ATOM 1415 CD ARG B 52 -9.958 -56.013 1.603 1.00 66.38 C ATOM 1416 NE ARG B 52 -11.061 -56.352 2.499 1.00 66.15 N ATOM 1417 CZ ARG B 52 -10.935 -56.631 3.798 1.00 62.25 C ATOM 1418 NH1 ARG B 52 -9.750 -56.614 4.392 1.00 56.99 N ATOM 1419 NH2 ARG B 52 -12.011 -56.932 4.508 1.00 57.81 N ATOM 1420 HE ARG B 52 -12.018 -56.378 2.093 1.00 0.00 H ATOM 1421 HH12 ARG B 52 -9.673 -56.834 5.405 1.00 0.00 H ATOM 1422 HH11 ARG B 52 -8.897 -56.380 3.845 1.00 0.00 H ATOM 1423 HH22 ARG B 52 -11.921 -57.151 5.521 1.00 0.00 H ATOM 1424 HH21 ARG B 52 -12.946 -56.950 4.053 1.00 0.00 H ATOM 1425 H ARG B 52 -9.587 -52.469 -1.406 1.00 0.00 H ATOM 1426 N VAL B 53 -11.461 -50.446 -0.375 1.00 45.60 N ATOM 1427 CA VAL B 53 -11.721 -49.101 0.135 1.00 44.99 C ATOM 1428 C VAL B 53 -13.215 -48.849 0.389 1.00 47.98 C ATOM 1429 O VAL B 53 -13.567 -48.278 1.415 1.00 43.20 O ATOM 1430 CB VAL B 53 -11.148 -48.009 -0.820 1.00 39.58 C ATOM 1431 CG1 VAL B 53 -11.609 -46.592 -0.416 1.00 35.78 C ATOM 1432 CG2 VAL B 53 -9.612 -48.064 -0.819 1.00 37.89 C ATOM 1433 H VAL B 53 -11.059 -50.563 -1.327 1.00 0.00 H ATOM 1434 N ASP B 54 -14.097 -49.276 -0.514 1.00 45.39 N ATOM 1435 CA ASP B 54 -15.528 -49.067 -0.290 1.00 49.85 C ATOM 1436 C ASP B 54 -15.971 -49.816 0.962 1.00 52.93 C ATOM 1437 O ASP B 54 -16.685 -49.276 1.815 1.00 50.45 O ATOM 1438 CB ASP B 54 -16.361 -49.525 -1.496 1.00 48.22 C ATOM 1439 CG ASP B 54 -16.155 -48.642 -2.704 1.00 58.81 C ATOM 1440 OD1 ASP B 54 -15.836 -47.449 -2.517 1.00 61.93 O ATOM 1441 OD2 ASP B 54 -16.303 -49.140 -3.836 1.00 73.80 O ATOM 1442 H ASP B 54 -13.769 -49.757 -1.376 1.00 0.00 H ATOM 1443 N GLU B 55 -15.530 -51.061 1.056 1.00 43.21 N ATOM 1444 CA GLU B 55 -15.788 -51.889 2.224 1.00 54.02 C ATOM 1445 C GLU B 55 -15.377 -51.206 3.539 1.00 51.64 C ATOM 1446 O GLU B 55 -16.164 -51.156 4.482 1.00 53.37 O ATOM 1447 CB GLU B 55 -15.063 -53.219 2.065 1.00 51.45 C ATOM 1448 CG GLU B 55 -15.452 -54.267 3.057 1.00 68.88 C ATOM 1449 CD GLU B 55 -14.682 -55.547 2.842 1.00 75.31 C ATOM 1450 OE1 GLU B 55 -14.106 -55.719 1.739 1.00 69.23 O ATOM 1451 OE2 GLU B 55 -14.656 -56.375 3.777 1.00 75.78 O ATOM 1452 H GLU B 55 -14.981 -51.460 0.268 1.00 0.00 H ATOM 1453 N ILE B 56 -14.166 -50.660 3.610 1.00 45.83 N ATOM 1454 CA ILE B 56 -13.739 -50.074 4.881 1.00 48.39 C ATOM 1455 C ILE B 56 -14.471 -48.759 5.170 1.00 55.21 C ATOM 1456 O ILE B 56 -14.742 -48.450 6.338 1.00 48.09 O ATOM 1457 CB ILE B 56 -12.217 -49.860 4.957 1.00 42.52 C ATOM 1458 CG1 ILE B 56 -11.792 -49.706 6.429 1.00 49.17 C ATOM 1459 CG2 ILE B 56 -11.729 -48.660 4.074 1.00 44.39 C ATOM 1460 CD1 ILE B 56 -10.293 -49.694 6.664 1.00 46.33 C ATOM 1461 H ILE B 56 -13.537 -50.650 2.782 1.00 0.00 H ATOM 1462 N LEU B 57 -14.835 -48.010 4.127 1.00 48.37 N ATOM 1463 CA LEU B 57 -15.573 -46.755 4.328 1.00 49.42 C ATOM 1464 C LEU B 57 -16.924 -47.078 4.940 1.00 54.51 C ATOM 1465 O LEU B 57 -17.414 -46.374 5.829 1.00 50.28 O ATOM 1466 CB LEU B 57 -15.765 -45.990 3.016 1.00 53.35 C ATOM 1467 CG LEU B 57 -14.540 -45.360 2.352 1.00 48.47 C ATOM 1468 CD1 LEU B 57 -14.964 -44.594 1.111 1.00 52.83 C ATOM 1469 CD2 LEU B 57 -13.774 -44.454 3.302 1.00 47.63 C ATOM 1470 H LEU B 57 -14.594 -48.317 3.163 1.00 0.00 H ATOM 1471 N SER B 58 -17.510 -48.166 4.456 1.00 47.40 N ATOM 1472 CA SER B 58 -18.780 -48.653 4.960 1.00 50.98 C ATOM 1473 C SER B 58 -18.731 -49.008 6.450 1.00 62.16 C ATOM 1474 O SER B 58 -19.675 -48.732 7.191 1.00 54.09 O ATOM 1475 CB SER B 58 -19.220 -49.869 4.151 1.00 61.33 C ATOM 1476 OG SER B 58 -20.456 -50.362 4.623 1.00 81.17 O ATOM 1477 HG SER B 58 -20.364 -50.625 5.573 1.00 0.00 H ATOM 1478 H SER B 58 -17.042 -48.688 3.688 1.00 0.00 H ATOM 1479 N VAL B 59 -17.637 -49.629 6.884 1.00 52.05 N ATOM 1480 CA VAL B 59 -17.462 -49.977 8.293 1.00 53.03 C ATOM 1481 C VAL B 59 -17.384 -48.716 9.163 1.00 48.91 C ATOM 1482 O VAL B 59 -18.019 -48.641 10.230 1.00 51.28 O ATOM 1483 CB VAL B 59 -16.191 -50.837 8.510 1.00 61.94 C ATOM 1484 CG1 VAL B 59 -15.902 -51.026 10.001 1.00 51.30 C ATOM 1485 CG2 VAL B 59 -16.328 -52.188 7.814 1.00 57.31 C ATOM 1486 H VAL B 59 -16.888 -49.873 6.204 1.00 0.00 H ATOM 1487 N ILE B 60 -16.620 -47.732 8.693 1.00 47.08 N ATOM 1488 CA ILE B 60 -16.429 -46.465 9.412 1.00 51.27 C ATOM 1489 C ILE B 60 -17.759 -45.736 9.542 1.00 57.94 C ATOM 1490 O ILE B 60 -18.133 -45.276 10.625 1.00 64.54 O ATOM 1491 CB ILE B 60 -15.403 -45.564 8.707 1.00 53.57 C ATOM 1492 CG1 ILE B 60 -14.039 -46.254 8.661 1.00 51.61 C ATOM 1493 CG2 ILE B 60 -15.258 -44.210 9.405 1.00 38.67 C ATOM 1494 CD1 ILE B 60 -13.105 -45.644 7.638 1.00 43.52 C ATOM 1495 H ILE B 60 -16.139 -47.866 7.781 1.00 0.00 H ATOM 1496 N ASN B 61 -18.485 -45.669 8.432 1.00 46.82 N ATOM 1497 CA ASN B 61 -19.800 -45.054 8.418 1.00 52.16 C ATOM 1498 C ASN B 61 -20.777 -45.718 9.377 1.00 58.70 C ATOM 1499 O ASN B 61 -21.519 -45.031 10.071 1.00 57.04 O ATOM 1500 CB ASN B 61 -20.362 -45.078 7.004 1.00 59.35 C ATOM 1501 CG ASN B 61 -21.668 -44.342 6.892 1.00 62.43 C ATOM 1502 OD1 ASN B 61 -21.839 -43.271 7.467 1.00 65.20 O ATOM 1503 ND2 ASN B 61 -22.602 -44.909 6.141 1.00 70.73 N ATOM 1504 HD22 ASN B 61 -22.412 -45.818 5.673 1.00 0.00 H ATOM 1505 HD21 ASN B 61 -23.525 -44.445 6.020 1.00 0.00 H ATOM 1506 H ASN B 61 -18.102 -46.067 7.551 1.00 0.00 H ATOM 1507 N GLN B 62 -20.790 -47.047 9.417 1.00 65.25 N ATOM 1508 CA GLN B 62 -21.697 -47.767 10.316 1.00 60.22 C ATOM 1509 C GLN B 62 -21.359 -47.568 11.793 1.00 62.39 C ATOM 1510 O GLN B 62 -22.247 -47.319 12.604 1.00 71.72 O ATOM 1511 CB GLN B 62 -21.699 -49.261 9.997 1.00 71.20 C ATOM 1512 CG GLN B 62 -22.167 -49.619 8.599 1.00 77.52 C ATOM 1513 CD GLN B 62 -22.490 -51.092 8.474 1.00 73.38 C ATOM 1514 OE1 GLN B 62 -23.469 -51.580 9.042 1.00 88.20 O ATOM 1515 NE2 GLN B 62 -21.650 -51.817 7.743 1.00 65.97 N ATOM 1516 HE22 GLN B 62 -20.836 -51.362 7.282 1.00 0.00 H ATOM 1517 HE21 GLN B 62 -21.806 -52.839 7.632 1.00 0.00 H ATOM 1518 H GLN B 62 -20.147 -47.584 8.801 1.00 0.00 H ATOM 1519 N THR B 63 -20.076 -47.666 12.140 1.00 55.69 N ATOM 1520 CA THR B 63 -19.676 -47.625 13.543 1.00 67.04 C ATOM 1521 C THR B 63 -19.543 -46.195 14.071 1.00 67.11 C ATOM 1522 O THR B 63 -19.862 -45.911 15.221 1.00 60.99 O ATOM 1523 CB THR B 63 -18.349 -48.362 13.755 1.00 61.72 C ATOM 1524 OG1 THR B 63 -17.371 -47.833 12.851 1.00 66.93 O ATOM 1525 CG2 THR B 63 -18.530 -49.850 13.495 1.00 58.36 C ATOM 1526 HG1 THR B 63 -17.680 -47.963 11.919 1.00 0.00 H ATOM 1527 H THR B 63 -19.351 -47.773 11.402 1.00 0.00 H ATOM 1528 N CYS B 64 -19.061 -45.300 13.221 1.00 57.59 N ATOM 1529 CA CYS B 64 -18.905 -43.906 13.593 1.00 58.76 C ATOM 1530 C CYS B 64 -19.771 -43.104 12.633 1.00 69.31 C ATOM 1531 O CYS B 64 -20.377 -43.676 11.740 1.00 77.82 O ATOM 1532 CB CYS B 64 -17.458 -43.471 13.405 1.00 57.11 C ATOM 1533 SG CYS B 64 -16.277 -44.751 13.983 1.00 54.81 S ATOM 1534 H CYS B 64 -18.788 -45.604 12.265 1.00 0.00 H ATOM 1535 N GLY B 65 -19.873 -41.795 12.796 1.00 67.73 N ATOM 1536 CA GLY B 65 -20.710 -41.059 11.860 1.00 77.91 C ATOM 1537 C GLY B 65 -21.943 -40.644 12.638 1.00 64.38 C ATOM 1538 O GLY B 65 -22.333 -41.320 13.584 1.00 66.48 O ATOM 1539 H GLY B 65 -19.372 -41.308 13.567 1.00 0.00 H ATOM 1540 N ASN B 66 -22.558 -39.536 12.231 1.00 74.19 N ATOM 1541 CA ASN B 66 -23.534 -38.848 13.070 1.00 76.62 C ATOM 1542 C ASN B 66 -24.914 -39.506 13.138 1.00 73.33 C ATOM 1543 O ASN B 66 -25.207 -40.435 12.390 1.00 77.92 O ATOM 1544 CB ASN B 66 -23.667 -37.384 12.616 1.00 94.30 C ATOM 1545 CG ASN B 66 -24.164 -37.244 11.182 1.00 80.00 C ATOM 1546 OD1 ASN B 66 -24.953 -38.053 10.692 1.00 80.00 O ATOM 1547 ND2 ASN B 66 -23.711 -36.192 10.507 1.00 80.00 N ATOM 1548 HD22 ASN B 66 -23.045 -35.532 10.958 1.00 0.00 H ATOM 1549 HD21 ASN B 66 -24.022 -36.029 9.528 1.00 0.00 H ATOM 1550 H ASN B 66 -22.337 -39.150 11.291 1.00 0.00 H TER 1551 ASN B 66 ATOM 1552 N GLU B 92 -27.041 -35.899 15.440 1.00101.38 N ATOM 1553 CA GLU B 92 -26.719 -34.741 16.265 1.00 99.19 C ATOM 1554 C GLU B 92 -25.335 -34.879 16.893 1.00106.98 C ATOM 1555 O GLU B 92 -24.650 -33.886 17.133 1.00 80.00 O ATOM 1556 CB GLU B 92 -27.775 -34.548 17.355 1.00 20.00 C ATOM 1557 CG GLU B 92 -29.197 -34.822 16.897 1.00 20.00 C ATOM 1558 CD GLU B 92 -30.234 -34.269 17.854 1.00 20.00 C ATOM 1559 OE1 GLU B 92 -29.854 -33.516 18.776 1.00 20.00 O ATOM 1560 OE2 GLU B 92 -31.430 -34.587 17.686 1.00 20.00 O ATOM 1561 HN3 GLU B 92 -27.027 -36.757 16.028 1.00 0.00 H ATOM 1562 HN2 GLU B 92 -26.338 -35.987 14.679 1.00 0.00 H ATOM 1563 HN1 GLU B 92 -27.987 -35.776 15.027 1.00 0.00 H ATOM 1564 N VAL B 93 -24.932 -36.118 17.156 1.00 94.44 N ATOM 1565 CA VAL B 93 -23.631 -36.389 17.756 1.00 90.75 C ATOM 1566 C VAL B 93 -22.832 -37.379 16.916 1.00 86.67 C ATOM 1567 O VAL B 93 -23.321 -37.890 15.909 1.00 80.46 O ATOM 1568 CB VAL B 93 -23.772 -36.940 19.187 1.00 90.09 C ATOM 1569 CG1 VAL B 93 -24.138 -35.824 20.152 1.00 90.00 C ATOM 1570 CG2 VAL B 93 -24.811 -38.050 19.226 1.00 89.25 C ATOM 1571 H VAL B 93 -25.561 -36.914 16.928 1.00 0.00 H ATOM 1572 N GLY B 94 -21.599 -37.645 17.337 1.00 77.78 N ATOM 1573 CA GLY B 94 -20.734 -38.570 16.628 1.00 70.25 C ATOM 1574 C GLY B 94 -20.165 -37.937 15.373 1.00 61.98 C ATOM 1575 O GLY B 94 -20.037 -36.715 15.287 1.00 75.05 O ATOM 1576 H GLY B 94 -21.245 -37.178 18.196 1.00 0.00 H ATOM 1577 N GLY B 95 -19.832 -38.763 14.390 1.00 51.88 N ATOM 1578 CA GLY B 95 -19.297 -38.255 13.142 1.00 60.78 C ATOM 1579 C GLY B 95 -17.908 -38.779 12.843 1.00 58.20 C ATOM 1580 O GLY B 95 -17.117 -39.051 13.751 1.00 55.66 O ATOM 1581 H GLY B 95 -19.956 -39.788 14.516 1.00 0.00 H ATOM 1582 N ALA B 96 -17.607 -38.930 11.559 1.00 48.18 N ATOM 1583 CA ALA B 96 -16.273 -39.343 11.151 1.00 40.06 C ATOM 1584 C ALA B 96 -15.785 -38.549 9.931 1.00 47.09 C ATOM 1585 O ALA B 96 -16.556 -38.265 9.005 1.00 47.84 O ATOM 1586 CB ALA B 96 -16.247 -40.836 10.864 1.00 48.74 C ATOM 1587 H ALA B 96 -18.333 -38.751 10.836 1.00 0.00 H ATOM 1588 N THR B 97 -14.507 -38.181 9.964 1.00 43.99 N ATOM 1589 CA THR B 97 -13.846 -37.451 8.878 1.00 43.59 C ATOM 1590 C THR B 97 -12.755 -38.355 8.320 1.00 45.39 C ATOM 1591 O THR B 97 -11.876 -38.812 9.055 1.00 41.84 O ATOM 1592 CB THR B 97 -13.245 -36.099 9.369 1.00 41.14 C ATOM 1593 OG1 THR B 97 -14.292 -35.286 9.919 1.00 44.69 O ATOM 1594 CG2 THR B 97 -12.558 -35.327 8.236 1.00 36.26 C ATOM 1595 HG1 THR B 97 -14.710 -35.760 10.681 1.00 0.00 H ATOM 1596 H THR B 97 -13.947 -38.424 10.806 1.00 0.00 H ATOM 1597 N VAL B 98 -12.819 -38.627 7.021 1.00 40.35 N ATOM 1598 CA VAL B 98 -11.950 -39.634 6.419 1.00 41.23 C ATOM 1599 C VAL B 98 -11.222 -39.131 5.179 1.00 39.16 C ATOM 1600 O VAL B 98 -11.848 -38.591 4.256 1.00 39.19 O ATOM 1601 CB VAL B 98 -12.750 -40.893 6.028 1.00 43.14 C ATOM 1602 CG1 VAL B 98 -11.811 -42.004 5.575 1.00 39.02 C ATOM 1603 CG2 VAL B 98 -13.621 -41.380 7.193 1.00 45.81 C ATOM 1604 H VAL B 98 -13.499 -38.115 6.424 1.00 0.00 H ATOM 1605 N PHE B 99 -9.906 -39.327 5.157 1.00 34.77 N ATOM 1606 CA PHE B 99 -9.098 -39.072 3.953 1.00 34.77 C ATOM 1607 C PHE B 99 -8.579 -40.369 3.335 1.00 42.11 C ATOM 1608 O PHE B 99 -8.076 -41.239 4.041 1.00 40.40 O ATOM 1609 CB PHE B 99 -7.915 -38.174 4.277 1.00 32.53 C ATOM 1610 CG PHE B 99 -8.302 -36.883 4.915 1.00 39.17 C ATOM 1611 CD1 PHE B 99 -8.438 -36.789 6.293 1.00 39.71 C ATOM 1612 CD2 PHE B 99 -8.526 -35.759 4.143 1.00 44.67 C ATOM 1613 CE1 PHE B 99 -8.798 -35.589 6.888 1.00 36.75 C ATOM 1614 CE2 PHE B 99 -8.891 -34.556 4.732 1.00 50.88 C ATOM 1615 CZ PHE B 99 -9.033 -34.474 6.112 1.00 38.99 C ATOM 1616 H PHE B 99 -9.433 -39.671 6.017 1.00 0.00 H ATOM 1617 N VAL B 100 -8.709 -40.496 2.019 1.00 36.55 N ATOM 1618 CA VAL B 100 -8.109 -41.622 1.283 1.00 34.82 C ATOM 1619 C VAL B 100 -6.884 -41.129 0.511 1.00 39.36 C ATOM 1620 O VAL B 100 -7.000 -40.250 -0.364 1.00 35.75 O ATOM 1621 CB VAL B 100 -9.113 -42.270 0.286 1.00 35.64 C ATOM 1622 CG1 VAL B 100 -8.468 -43.464 -0.437 1.00 35.93 C ATOM 1623 CG2 VAL B 100 -10.420 -42.704 0.991 1.00 37.36 C ATOM 1624 H VAL B 100 -9.250 -39.780 1.493 1.00 0.00 H ATOM 1625 N MET B 101 -5.720 -41.701 0.802 1.00 32.43 N ATOM 1626 CA MET B 101 -4.468 -41.171 0.265 1.00 35.99 C ATOM 1627 C MET B 101 -3.676 -42.239 -0.499 1.00 38.32 C ATOM 1628 O MET B 101 -3.656 -43.401 -0.102 1.00 38.91 O ATOM 1629 CB MET B 101 -3.613 -40.592 1.395 1.00 32.44 C ATOM 1630 CG MET B 101 -4.270 -39.385 2.072 1.00 35.40 C ATOM 1631 SD MET B 101 -3.317 -38.722 3.456 1.00 41.57 S ATOM 1632 CE MET B 101 -1.861 -38.013 2.624 1.00 33.23 C ATOM 1633 H MET B 101 -5.700 -42.537 1.420 1.00 0.00 H ATOM 1634 N PRO B 102 -2.999 -41.831 -1.581 1.00 36.07 N ATOM 1635 CA PRO B 102 -2.237 -42.803 -2.369 1.00 36.87 C ATOM 1636 C PRO B 102 -0.984 -43.292 -1.645 1.00 43.54 C ATOM 1637 O PRO B 102 -0.353 -42.539 -0.892 1.00 34.75 O ATOM 1638 CB PRO B 102 -1.866 -42.020 -3.639 1.00 41.44 C ATOM 1639 CG PRO B 102 -1.840 -40.572 -3.199 1.00 37.27 C ATOM 1640 CD PRO B 102 -2.920 -40.459 -2.135 1.00 36.00 C ATOM 1641 N VAL B 103 -0.634 -44.547 -1.909 1.00 40.55 N ATOM 1642 CA VAL B 103 0.549 -45.191 -1.356 1.00 41.08 C ATOM 1643 C VAL B 103 1.445 -45.721 -2.482 1.00 47.01 C ATOM 1644 O VAL B 103 0.966 -46.465 -3.340 1.00 39.41 O ATOM 1645 CB VAL B 103 0.149 -46.362 -0.443 1.00 38.97 C ATOM 1646 CG1 VAL B 103 1.377 -47.128 -0.011 1.00 37.35 C ATOM 1647 CG2 VAL B 103 -0.649 -45.859 0.767 1.00 40.84 C ATOM 1648 H VAL B 103 -1.240 -45.101 -2.547 1.00 0.00 H ATOM 1649 N ASP B 104 2.731 -45.362 -2.485 1.00 39.64 N ATOM 1650 CA ASP B 104 3.667 -45.887 -3.494 1.00 41.30 C ATOM 1651 C ASP B 104 4.058 -47.351 -3.272 1.00 43.46 C ATOM 1652 O ASP B 104 4.145 -48.124 -4.222 1.00 43.06 O ATOM 1653 CB ASP B 104 4.944 -45.045 -3.541 1.00 42.60 C ATOM 1654 CG ASP B 104 4.743 -43.720 -4.230 1.00 47.15 C ATOM 1655 OD1 ASP B 104 3.729 -43.568 -4.937 1.00 46.45 O ATOM 1656 OD2 ASP B 104 5.593 -42.824 -4.052 1.00 50.61 O ATOM 1657 H ASP B 104 3.078 -44.700 -1.762 1.00 0.00 H ATOM 1658 N ALA B 105 4.331 -47.721 -2.023 1.00 39.77 N ATOM 1659 CA ALA B 105 4.809 -49.076 -1.707 1.00 40.15 C ATOM 1660 C ALA B 105 4.461 -49.458 -0.270 1.00 44.48 C ATOM 1661 O ALA B 105 4.195 -48.587 0.574 1.00 36.85 O ATOM 1662 CB ALA B 105 6.317 -49.190 -1.934 1.00 42.84 C ATOM 1663 H ALA B 105 4.203 -47.035 -1.251 1.00 0.00 H ATOM 1664 N PHE B 106 4.452 -50.758 -0.005 1.00 40.94 N ATOM 1665 CA PHE B 106 4.056 -51.295 1.300 1.00 45.99 C ATOM 1666 C PHE B 106 5.022 -52.423 1.643 1.00 50.15 C ATOM 1667 O PHE B 106 5.224 -53.310 0.820 1.00 48.30 O ATOM 1668 CB PHE B 106 2.602 -51.777 1.227 1.00 54.45 C ATOM 1669 CG PHE B 106 2.110 -52.513 2.450 1.00 49.86 C ATOM 1670 CD1 PHE B 106 2.116 -51.919 3.694 1.00 54.52 C ATOM 1671 CD2 PHE B 106 1.578 -53.780 2.331 1.00 56.17 C ATOM 1672 CE1 PHE B 106 1.631 -52.597 4.806 1.00 57.21 C ATOM 1673 CE2 PHE B 106 1.090 -54.460 3.437 1.00 61.83 C ATOM 1674 CZ PHE B 106 1.122 -53.877 4.673 1.00 50.57 C ATOM 1675 H PHE B 106 4.737 -51.422 -0.753 1.00 0.00 H ATOM 1676 N HIS B 107 5.659 -52.382 2.816 1.00 33.84 N ATOM 1677 CA HIS B 107 6.640 -53.426 3.158 1.00 36.73 C ATOM 1678 C HIS B 107 6.400 -53.945 4.558 1.00 46.76 C ATOM 1679 O HIS B 107 5.953 -53.198 5.427 1.00 44.20 O ATOM 1680 CB HIS B 107 8.080 -52.903 3.096 1.00 44.40 C ATOM 1681 CG HIS B 107 8.476 -52.344 1.764 1.00 51.27 C ATOM 1682 ND1 HIS B 107 9.175 -53.072 0.826 1.00 53.44 N ATOM 1683 CD2 HIS B 107 8.268 -51.124 1.215 1.00 50.69 C ATOM 1684 CE1 HIS B 107 9.386 -52.322 -0.242 1.00 47.76 C ATOM 1685 NE2 HIS B 107 8.839 -51.139 -0.034 1.00 51.65 N ATOM 1686 H HIS B 107 5.462 -51.613 3.488 1.00 0.00 H ATOM 1687 N GLN B 108 6.705 -55.215 4.782 1.00 41.09 N ATOM 1688 CA GLN B 108 6.855 -55.720 6.148 1.00 53.51 C ATOM 1689 C GLN B 108 8.244 -56.336 6.314 1.00 54.28 C ATOM 1690 O GLN B 108 8.711 -57.082 5.451 1.00 58.08 O ATOM 1691 CB GLN B 108 5.750 -56.736 6.493 1.00 50.78 C ATOM 1692 CG GLN B 108 4.449 -56.071 6.939 1.00 55.40 C ATOM 1693 CD GLN B 108 3.487 -57.028 7.623 1.00 55.82 C ATOM 1694 OE1 GLN B 108 3.485 -58.227 7.352 1.00 56.98 O ATOM 1695 NE2 GLN B 108 2.679 -56.498 8.538 1.00 51.66 N ATOM 1696 HE22 GLN B 108 2.715 -55.477 8.735 1.00 0.00 H ATOM 1697 HE21 GLN B 108 2.012 -57.104 9.056 1.00 0.00 H ATOM 1698 H GLN B 108 6.839 -55.861 3.978 1.00 0.00 H ATOM 1699 N PHE B 109 8.909 -56.005 7.418 1.00 56.40 N ATOM 1700 CA PHE B 109 10.241 -56.529 7.708 1.00 54.98 C ATOM 1701 C PHE B 109 10.225 -57.337 8.997 1.00 51.15 C ATOM 1702 O PHE B 109 11.075 -58.197 9.229 1.00 53.13 O ATOM 1703 CB PHE B 109 11.264 -55.397 7.825 1.00 57.95 C ATOM 1704 CG PHE B 109 11.383 -54.554 6.592 1.00 58.22 C ATOM 1705 CD1 PHE B 109 11.830 -55.108 5.401 1.00 63.92 C ATOM 1706 CD2 PHE B 109 11.062 -53.205 6.623 1.00 58.86 C ATOM 1707 CE1 PHE B 109 11.947 -54.332 4.255 1.00 57.11 C ATOM 1708 CE2 PHE B 109 11.175 -52.426 5.482 1.00 58.53 C ATOM 1709 CZ PHE B 109 11.619 -52.994 4.297 1.00 50.04 C ATOM 1710 OXT PHE B 109 9.346 -57.125 9.837 1.00 55.58 O ATOM 1711 H PHE B 109 8.466 -55.352 8.096 1.00 0.00 H TER 1712 PHE B 109 ATOM 1713 N GLY C -7 9.875 -25.715 -3.231 1.00 91.68 N ATOM 1714 CA GLY C -7 9.853 -25.975 -1.802 1.00 89.79 C ATOM 1715 C GLY C -7 11.242 -25.968 -1.189 1.00 87.21 C ATOM 1716 O GLY C -7 11.967 -24.984 -1.291 1.00100.08 O ATOM 1717 HN3 GLY C -7 10.440 -26.447 -3.707 1.00 0.00 H ATOM 1718 HN2 GLY C -7 10.298 -24.781 -3.406 1.00 0.00 H ATOM 1719 HN1 GLY C -7 8.903 -25.731 -3.600 1.00 0.00 H ATOM 1720 N LEU C -6 11.608 -27.069 -0.542 1.00 78.82 N ATOM 1721 CA LEU C -6 12.961 -27.253 -0.026 1.00 79.03 C ATOM 1722 C LEU C -6 13.649 -28.351 -0.839 1.00 82.76 C ATOM 1723 O LEU C -6 14.713 -28.853 -0.462 1.00 92.62 O ATOM 1724 CB LEU C -6 12.939 -27.607 1.471 1.00 83.78 C ATOM 1725 CG LEU C -6 14.185 -27.332 2.331 1.00 82.59 C ATOM 1726 CD1 LEU C -6 14.529 -25.856 2.318 1.00 85.69 C ATOM 1727 CD2 LEU C -6 14.004 -27.799 3.764 1.00 71.35 C ATOM 1728 H LEU C -6 10.908 -27.824 -0.398 1.00 0.00 H ATOM 1729 N VAL C -5 13.033 -28.715 -1.964 1.00 61.73 N ATOM 1730 CA VAL C -5 13.537 -29.799 -2.802 1.00 62.42 C ATOM 1731 C VAL C -5 13.999 -29.243 -4.153 1.00 62.84 C ATOM 1732 O VAL C -5 13.306 -28.428 -4.778 1.00 65.29 O ATOM 1733 CB VAL C -5 12.464 -30.928 -2.973 1.00 70.64 C ATOM 1734 CG1 VAL C -5 11.290 -30.696 -2.031 1.00 66.81 C ATOM 1735 CG2 VAL C -5 11.976 -31.059 -4.411 1.00 67.04 C ATOM 1736 H VAL C -5 12.169 -28.213 -2.253 1.00 0.00 H ATOM 1737 N PRO C -4 15.212 -29.635 -4.578 1.00 66.74 N ATOM 1738 CA PRO C -4 15.782 -29.124 -5.834 1.00 69.49 C ATOM 1739 C PRO C -4 14.987 -29.619 -7.039 1.00 47.89 C ATOM 1740 O PRO C -4 14.450 -30.724 -6.994 1.00 48.81 O ATOM 1741 CB PRO C -4 17.213 -29.695 -5.844 1.00 66.87 C ATOM 1742 CG PRO C -4 17.452 -30.192 -4.436 1.00 61.93 C ATOM 1743 CD PRO C -4 16.111 -30.589 -3.911 1.00 59.85 C ATOM 1744 N ARG C -3 14.900 -28.810 -8.085 1.00 56.22 N ATOM 1745 CA ARG C -3 14.214 -29.225 -9.302 1.00 59.67 C ATOM 1746 C ARG C -3 14.746 -30.567 -9.839 1.00 61.48 C ATOM 1747 O ARG C -3 15.951 -30.763 -9.982 1.00 57.32 O ATOM 1748 CB ARG C -3 14.339 -28.133 -10.366 1.00 67.19 C ATOM 1749 CG ARG C -3 13.527 -26.888 -10.050 1.00 64.33 C ATOM 1750 CD ARG C -3 13.474 -25.939 -11.229 1.00 60.04 C ATOM 1751 NE ARG C -3 14.531 -24.936 -11.173 1.00 69.49 N ATOM 1752 CZ ARG C -3 14.484 -23.858 -10.395 1.00 72.33 C ATOM 1753 NH1 ARG C -3 13.435 -23.656 -9.607 1.00 82.83 N ATOM 1754 NH2 ARG C -3 15.484 -22.990 -10.400 1.00 72.57 N ATOM 1755 HE ARG C -3 15.368 -25.071 -11.775 1.00 0.00 H ATOM 1756 HH12 ARG C -3 13.397 -22.814 -8.998 1.00 0.00 H ATOM 1757 HH11 ARG C -3 12.652 -24.340 -9.599 1.00 0.00 H ATOM 1758 HH22 ARG C -3 15.445 -22.148 -9.791 1.00 0.00 H ATOM 1759 HH21 ARG C -3 16.309 -23.150 -11.013 1.00 0.00 H ATOM 1760 H ARG C -3 15.328 -27.864 -8.037 1.00 0.00 H ATOM 1761 N GLY C -2 13.840 -31.504 -10.101 1.00 60.88 N ATOM 1762 CA GLY C -2 14.223 -32.773 -10.689 1.00 55.04 C ATOM 1763 C GLY C -2 14.192 -33.934 -9.715 1.00 57.14 C ATOM 1764 O GLY C -2 14.218 -35.092 -10.125 1.00 65.36 O ATOM 1765 H GLY C -2 12.840 -31.324 -9.881 1.00 0.00 H ATOM 1766 N SER C -1 14.142 -33.636 -8.422 1.00 45.92 N ATOM 1767 CA SER C -1 13.969 -34.704 -7.443 1.00 47.68 C ATOM 1768 C SER C -1 12.615 -34.625 -6.768 1.00 47.25 C ATOM 1769 O SER C -1 11.834 -33.704 -6.997 1.00 54.73 O ATOM 1770 CB SER C -1 15.087 -34.683 -6.400 1.00 56.76 C ATOM 1771 OG SER C -1 15.311 -33.381 -5.903 1.00 70.87 O ATOM 1772 HG SER C -1 15.569 -32.784 -6.649 1.00 0.00 H ATOM 1773 H SER C -1 14.226 -32.648 -8.109 1.00 0.00 H ATOM 1774 N HIS C 0 12.333 -35.624 -5.947 1.00 42.80 N ATOM 1775 CA HIS C 0 11.071 -35.713 -5.248 1.00 50.78 C ATOM 1776 C HIS C 0 11.298 -36.244 -3.843 1.00 48.45 C ATOM 1777 O HIS C 0 12.292 -36.934 -3.594 1.00 48.66 O ATOM 1778 CB HIS C 0 10.108 -36.619 -6.006 1.00 46.41 C ATOM 1779 CG HIS C 0 10.027 -36.307 -7.464 1.00 59.77 C ATOM 1780 ND1 HIS C 0 10.815 -36.937 -8.402 1.00 71.62 N ATOM 1781 CD2 HIS C 0 9.290 -35.395 -8.138 1.00 65.10 C ATOM 1782 CE1 HIS C 0 10.546 -36.446 -9.599 1.00 77.66 C ATOM 1783 NE2 HIS C 0 9.625 -35.509 -9.467 1.00 78.06 N ATOM 1784 H HIS C 0 13.043 -36.370 -5.800 1.00 0.00 H ATOM 1785 N MET C 1 10.382 -35.897 -2.938 1.00 43.38 N ATOM 1786 CA MET C 1 10.373 -36.410 -1.576 1.00 44.50 C ATOM 1787 C MET C 1 9.343 -37.518 -1.464 1.00 40.04 C ATOM 1788 O MET C 1 8.352 -37.524 -2.192 1.00 39.29 O ATOM 1789 CB MET C 1 10.025 -35.303 -0.567 1.00 49.16 C ATOM 1790 CG MET C 1 10.947 -34.106 -0.589 1.00 60.93 C ATOM 1791 SD MET C 1 12.253 -34.254 0.631 1.00 70.83 S ATOM 1792 CE MET C 1 11.297 -34.538 2.113 1.00 51.40 C ATOM 1793 H MET C 1 9.638 -35.227 -3.219 1.00 0.00 H ATOM 1794 N LYS C 2 9.567 -38.434 -0.529 1.00 37.90 N ATOM 1795 CA LYS C 2 8.565 -39.398 -0.129 1.00 34.00 C ATOM 1796 C LYS C 2 8.349 -39.288 1.373 1.00 35.86 C ATOM 1797 O LYS C 2 9.235 -38.839 2.114 1.00 43.22 O ATOM 1798 CB LYS C 2 8.982 -40.833 -0.480 1.00 35.30 C ATOM 1799 CG LYS C 2 9.269 -41.080 -1.953 1.00 42.08 C ATOM 1800 CD LYS C 2 8.009 -40.979 -2.796 1.00 41.40 C ATOM 1801 CE LYS C 2 8.376 -40.875 -4.285 1.00 43.19 C ATOM 1802 NZ LYS C 2 7.156 -40.948 -5.103 1.00 38.26 N ATOM 1803 HZ1 LYS C 2 6.677 -41.854 -4.928 1.00 0.00 H ATOM 1804 HZ2 LYS C 2 6.522 -40.164 -4.848 1.00 0.00 H ATOM 1805 HZ3 LYS C 2 7.410 -40.877 -6.109 1.00 0.00 H ATOM 1806 H LYS C 2 10.498 -38.459 -0.067 1.00 0.00 H ATOM 1807 N MET C 3 7.178 -39.717 1.822 1.00 36.62 N ATOM 1808 CA MET C 3 6.890 -39.790 3.258 1.00 39.23 C ATOM 1809 C MET C 3 6.906 -41.248 3.667 1.00 40.66 C ATOM 1810 O MET C 3 6.182 -42.073 3.095 1.00 37.04 O ATOM 1811 CB MET C 3 5.538 -39.141 3.589 1.00 35.58 C ATOM 1812 CG MET C 3 5.072 -39.337 5.061 1.00 32.86 C ATOM 1813 SD MET C 3 6.275 -38.727 6.270 1.00 39.25 S ATOM 1814 CE MET C 3 6.227 -36.956 5.975 1.00 42.69 C ATOM 1815 H MET C 3 6.448 -40.008 1.141 1.00 0.00 H ATOM 1816 N ILE C 4 7.771 -41.575 4.619 1.00 36.83 N ATOM 1817 CA ILE C 4 7.846 -42.928 5.142 1.00 30.02 C ATOM 1818 C ILE C 4 7.037 -42.988 6.434 1.00 41.62 C ATOM 1819 O ILE C 4 7.269 -42.200 7.337 1.00 41.29 O ATOM 1820 CB ILE C 4 9.288 -43.369 5.413 1.00 35.85 C ATOM 1821 CG1 ILE C 4 9.982 -43.850 4.131 1.00 49.91 C ATOM 1822 CG2 ILE C 4 9.294 -44.582 6.309 1.00 39.02 C ATOM 1823 CD1 ILE C 4 10.039 -42.868 3.024 1.00 54.60 C ATOM 1824 H ILE C 4 8.409 -40.847 4.999 1.00 0.00 H ATOM 1825 N ILE C 5 6.070 -43.894 6.513 1.00 40.43 N ATOM 1826 CA ILE C 5 5.364 -44.106 7.781 1.00 34.78 C ATOM 1827 C ILE C 5 5.713 -45.492 8.272 1.00 39.25 C ATOM 1828 O ILE C 5 5.351 -46.486 7.645 1.00 41.10 O ATOM 1829 CB ILE C 5 3.846 -43.956 7.632 1.00 32.90 C ATOM 1830 CG1 ILE C 5 3.498 -42.562 7.111 1.00 35.21 C ATOM 1831 CG2 ILE C 5 3.106 -44.233 8.983 1.00 30.91 C ATOM 1832 CD1 ILE C 5 2.006 -42.420 6.809 1.00 40.11 C ATOM 1833 H ILE C 5 5.813 -44.454 5.675 1.00 0.00 H ATOM 1834 N ALA C 6 6.442 -45.567 9.384 1.00 36.48 N ATOM 1835 CA ALA C 6 6.889 -46.860 9.863 1.00 47.20 C ATOM 1836 C ALA C 6 6.350 -47.159 11.244 1.00 39.64 C ATOM 1837 O ALA C 6 6.629 -46.427 12.201 1.00 37.03 O ATOM 1838 CB ALA C 6 8.394 -46.918 9.868 1.00 45.98 C ATOM 1839 H ALA C 6 6.689 -44.702 9.906 1.00 0.00 H ATOM 1840 N ILE C 7 5.591 -48.247 11.341 1.00 44.10 N ATOM 1841 CA ILE C 7 5.072 -48.730 12.620 1.00 44.84 C ATOM 1842 C ILE C 7 5.962 -49.853 13.170 1.00 47.71 C ATOM 1843 O ILE C 7 6.097 -50.923 12.558 1.00 40.51 O ATOM 1844 CB ILE C 7 3.608 -49.227 12.486 1.00 42.94 C ATOM 1845 CG1 ILE C 7 2.719 -48.115 11.907 1.00 40.50 C ATOM 1846 CG2 ILE C 7 3.074 -49.730 13.829 1.00 37.99 C ATOM 1847 CD1 ILE C 7 2.092 -48.479 10.560 1.00 37.98 C ATOM 1848 H ILE C 7 5.358 -48.774 10.475 1.00 0.00 H ATOM 1849 N VAL C 8 6.579 -49.597 14.324 1.00 44.19 N ATOM 1850 CA VAL C 8 7.537 -50.524 14.924 1.00 42.99 C ATOM 1851 C VAL C 8 7.206 -50.792 16.394 1.00 43.77 C ATOM 1852 O VAL C 8 6.389 -50.085 16.990 1.00 46.75 O ATOM 1853 CB VAL C 8 8.984 -49.979 14.817 1.00 44.50 C ATOM 1854 CG1 VAL C 8 9.364 -49.734 13.350 1.00 39.60 C ATOM 1855 CG2 VAL C 8 9.126 -48.683 15.607 1.00 43.30 C ATOM 1856 H VAL C 8 6.371 -48.704 14.816 1.00 0.00 H ATOM 1857 N GLN C 9 7.837 -51.807 16.974 1.00 50.82 N ATOM 1858 CA GLN C 9 7.629 -52.133 18.385 1.00 54.82 C ATOM 1859 C GLN C 9 8.274 -51.090 19.286 1.00 60.26 C ATOM 1860 O GLN C 9 9.321 -50.544 18.947 1.00 55.64 O ATOM 1861 CB GLN C 9 8.193 -53.522 18.714 1.00 53.32 C ATOM 1862 CG GLN C 9 7.569 -54.653 17.912 1.00 73.88 C ATOM 1863 CD GLN C 9 6.052 -54.732 18.068 1.00 84.42 C ATOM 1864 OE1 GLN C 9 5.494 -54.330 19.090 1.00 85.71 O ATOM 1865 NE2 GLN C 9 5.383 -55.253 17.046 1.00 89.97 N ATOM 1866 HE22 GLN C 9 5.895 -55.580 16.202 1.00 0.00 H ATOM 1867 HE21 GLN C 9 4.347 -55.334 17.090 1.00 0.00 H ATOM 1868 H GLN C 9 8.495 -52.384 16.412 1.00 0.00 H ATOM 1869 N ASP C 10 7.660 -50.827 20.436 1.00 58.61 N ATOM 1870 CA ASP C 10 8.180 -49.826 21.368 1.00 52.10 C ATOM 1871 C ASP C 10 9.614 -50.128 21.787 1.00 51.42 C ATOM 1872 O ASP C 10 10.438 -49.221 21.954 1.00 56.90 O ATOM 1873 CB ASP C 10 7.291 -49.728 22.614 1.00 60.99 C ATOM 1874 CG ASP C 10 6.162 -48.734 22.445 1.00 70.80 C ATOM 1875 OD1 ASP C 10 6.223 -47.916 21.499 1.00 72.52 O ATOM 1876 OD2 ASP C 10 5.223 -48.758 23.267 1.00 82.97 O ATOM 1877 H ASP C 10 6.791 -51.344 20.678 1.00 0.00 H ATOM 1878 N GLN C 11 9.911 -51.408 21.944 1.00 50.33 N ATOM 1879 CA GLN C 11 11.209 -51.821 22.456 1.00 53.76 C ATOM 1880 C GLN C 11 12.313 -51.655 21.423 1.00 58.80 C ATOM 1881 O GLN C 11 13.484 -51.807 21.737 1.00 67.74 O ATOM 1882 CB GLN C 11 11.148 -53.271 22.921 1.00 71.67 C ATOM 1883 CG GLN C 11 10.908 -54.263 21.800 1.00 71.85 C ATOM 1884 CD GLN C 11 10.714 -55.668 22.326 1.00 85.25 C ATOM 1885 OE1 GLN C 11 10.365 -55.862 23.491 1.00 93.75 O ATOM 1886 NE2 GLN C 11 10.949 -56.658 21.474 1.00 95.59 N ATOM 1887 HE22 GLN C 11 11.242 -56.446 20.499 1.00 0.00 H ATOM 1888 HE21 GLN C 11 10.840 -57.646 21.781 1.00 0.00 H ATOM 1889 H GLN C 11 9.205 -52.131 21.697 1.00 0.00 H ATOM 1890 N ASP C 12 11.934 -51.364 20.183 1.00 55.67 N ATOM 1891 CA ASP C 12 12.903 -51.118 19.124 1.00 56.93 C ATOM 1892 C ASP C 12 13.004 -49.631 18.743 1.00 50.34 C ATOM 1893 O ASP C 12 13.898 -49.256 17.990 1.00 56.31 O ATOM 1894 CB ASP C 12 12.554 -51.931 17.869 1.00 50.58 C ATOM 1895 CG ASP C 12 12.802 -53.420 18.034 1.00 59.75 C ATOM 1896 OD1 ASP C 12 13.413 -53.844 19.042 1.00 60.37 O ATOM 1897 OD2 ASP C 12 12.379 -54.174 17.137 1.00 65.87 O ATOM 1898 H ASP C 12 10.919 -51.311 19.963 1.00 0.00 H ATOM 1899 N SER C 13 12.106 -48.789 19.252 1.00 48.90 N ATOM 1900 CA SER C 13 12.040 -47.389 18.795 1.00 51.90 C ATOM 1901 C SER C 13 13.317 -46.610 19.113 1.00 49.76 C ATOM 1902 O SER C 13 13.760 -45.774 18.333 1.00 61.43 O ATOM 1903 CB SER C 13 10.829 -46.678 19.405 1.00 60.10 C ATOM 1904 OG SER C 13 10.947 -46.574 20.811 1.00 74.56 O ATOM 1905 HG SER C 13 11.011 -47.481 21.204 1.00 0.00 H ATOM 1906 H SER C 13 11.443 -49.123 19.981 1.00 0.00 H ATOM 1907 N GLN C 14 13.906 -46.906 20.262 1.00 56.13 N ATOM 1908 CA GLN C 14 15.154 -46.293 20.675 1.00 60.17 C ATOM 1909 C GLN C 14 16.298 -46.602 19.700 1.00 60.52 C ATOM 1910 O GLN C 14 17.053 -45.710 19.320 1.00 60.19 O ATOM 1911 CB GLN C 14 15.500 -46.761 22.089 1.00 60.64 C ATOM 1912 CG GLN C 14 14.518 -46.256 23.153 1.00 63.18 C ATOM 1913 CD GLN C 14 13.209 -47.052 23.244 1.00 63.32 C ATOM 1914 OE1 GLN C 14 12.966 -47.999 22.486 1.00 51.38 O ATOM 1915 NE2 GLN C 14 12.362 -46.665 24.192 1.00 69.77 N ATOM 1916 HE22 GLN C 14 12.603 -45.864 24.809 1.00 0.00 H ATOM 1917 HE21 GLN C 14 11.458 -47.164 24.317 1.00 0.00 H ATOM 1918 H GLN C 14 13.458 -47.603 20.890 1.00 0.00 H ATOM 1919 N GLU C 15 16.419 -47.862 19.287 1.00 55.53 N ATOM 1920 CA GLU C 15 17.490 -48.257 18.370 1.00 60.62 C ATOM 1921 C GLU C 15 17.309 -47.640 16.974 1.00 56.91 C ATOM 1922 O GLU C 15 18.294 -47.274 16.322 1.00 53.21 O ATOM 1923 CB GLU C 15 17.572 -49.780 18.245 1.00 53.17 C ATOM 1924 CG GLU C 15 18.177 -50.511 19.448 1.00 57.61 C ATOM 1925 CD GLU C 15 17.185 -50.777 20.579 1.00 69.71 C ATOM 1926 OE1 GLU C 15 17.627 -51.368 21.594 1.00 77.64 O ATOM 1927 OE2 GLU C 15 15.987 -50.399 20.467 1.00 55.15 O ATOM 1928 H GLU C 15 15.742 -48.577 19.621 1.00 0.00 H ATOM 1929 N LEU C 16 16.067 -47.548 16.504 1.00 57.39 N ATOM 1930 CA LEU C 16 15.805 -46.975 15.180 1.00 51.44 C ATOM 1931 C LEU C 16 16.110 -45.480 15.149 1.00 57.64 C ATOM 1932 O LEU C 16 16.750 -44.995 14.212 1.00 55.05 O ATOM 1933 CB LEU C 16 14.350 -47.218 14.740 1.00 45.53 C ATOM 1934 CG LEU C 16 13.928 -46.556 13.420 1.00 46.09 C ATOM 1935 CD1 LEU C 16 14.769 -47.084 12.254 1.00 46.42 C ATOM 1936 CD2 LEU C 16 12.434 -46.735 13.131 1.00 45.77 C ATOM 1937 H LEU C 16 15.272 -47.887 17.083 1.00 0.00 H ATOM 1938 N ALA C 17 15.638 -44.756 16.164 1.00 62.02 N ATOM 1939 CA ALA C 17 15.891 -43.321 16.285 1.00 58.56 C ATOM 1940 C ALA C 17 17.386 -43.011 16.261 1.00 56.35 C ATOM 1941 O ALA C 17 17.818 -42.067 15.605 1.00 58.19 O ATOM 1942 CB ALA C 17 15.259 -42.772 17.561 1.00 58.20 C ATOM 1943 H ALA C 17 15.070 -45.229 16.896 1.00 0.00 H ATOM 1944 N ASP C 18 18.180 -43.804 16.969 1.00 58.49 N ATOM 1945 CA ASP C 18 19.625 -43.564 16.993 1.00 62.14 C ATOM 1946 C ASP C 18 20.290 -43.844 15.635 1.00 65.32 C ATOM 1947 O ASP C 18 21.190 -43.115 15.225 1.00 54.20 O ATOM 1948 CB ASP C 18 20.295 -44.385 18.103 1.00 81.54 C ATOM 1949 CG ASP C 18 20.200 -43.709 19.467 1.00103.57 C ATOM 1950 OD1 ASP C 18 20.432 -42.481 19.535 1.00113.55 O ATOM 1951 OD2 ASP C 18 19.900 -44.397 20.467 1.00108.44 O ATOM 1952 H ASP C 18 17.776 -44.597 17.507 1.00 0.00 H ATOM 1953 N GLN C 19 19.827 -44.870 14.923 1.00 58.57 N ATOM 1954 CA GLN C 19 20.453 -45.255 13.655 1.00 58.64 C ATOM 1955 C GLN C 19 20.042 -44.321 12.517 1.00 58.67 C ATOM 1956 O GLN C 19 20.801 -44.110 11.564 1.00 57.41 O ATOM 1957 CB GLN C 19 20.102 -46.703 13.302 1.00 66.36 C ATOM 1958 CG GLN C 19 20.934 -47.299 12.177 1.00 77.20 C ATOM 1959 CD GLN C 19 22.379 -47.565 12.565 1.00 75.25 C ATOM 1960 OE1 GLN C 19 22.739 -47.544 13.742 1.00 78.19 O ATOM 1961 NE2 GLN C 19 23.219 -47.813 11.566 1.00 83.51 N ATOM 1962 HE22 GLN C 19 22.873 -47.821 10.585 1.00 0.00 H ATOM 1963 HE21 GLN C 19 24.223 -47.999 11.765 1.00 0.00 H ATOM 1964 H GLN C 19 19.008 -45.407 15.273 1.00 0.00 H ATOM 1965 N LEU C 20 18.836 -43.767 12.616 1.00 46.32 N ATOM 1966 CA LEU C 20 18.387 -42.744 11.683 1.00 50.43 C ATOM 1967 C LEU C 20 19.219 -41.475 11.857 1.00 61.67 C ATOM 1968 O LEU C 20 19.562 -40.802 10.884 1.00 58.51 O ATOM 1969 CB LEU C 20 16.902 -42.440 11.892 1.00 43.89 C ATOM 1970 CG LEU C 20 15.873 -43.511 11.501 1.00 50.81 C ATOM 1971 CD1 LEU C 20 14.464 -43.093 11.940 1.00 46.87 C ATOM 1972 CD2 LEU C 20 15.897 -43.819 9.995 1.00 46.42 C ATOM 1973 H LEU C 20 18.199 -44.073 13.379 1.00 0.00 H ATOM 1974 N VAL C 21 19.537 -41.150 13.105 1.00 63.91 N ATOM 1975 CA VAL C 21 20.340 -39.970 13.399 1.00 56.87 C ATOM 1976 C VAL C 21 21.741 -40.139 12.834 1.00 56.73 C ATOM 1977 O VAL C 21 22.240 -39.246 12.146 1.00 59.07 O ATOM 1978 CB VAL C 21 20.401 -39.687 14.915 1.00 55.23 C ATOM 1979 CG1 VAL C 21 21.608 -38.802 15.263 1.00 59.53 C ATOM 1980 CG2 VAL C 21 19.091 -39.044 15.373 1.00 62.11 C ATOM 1981 H VAL C 21 19.206 -41.750 13.888 1.00 0.00 H ATOM 1982 N LYS C 22 22.360 -41.288 13.104 1.00 53.83 N ATOM 1983 CA LYS C 22 23.703 -41.582 12.597 1.00 59.14 C ATOM 1984 C LYS C 22 23.773 -41.462 11.066 1.00 63.02 C ATOM 1985 O LYS C 22 24.792 -41.039 10.516 1.00 70.11 O ATOM 1986 CB LYS C 22 24.147 -42.979 13.045 1.00 67.64 C ATOM 1987 CG LYS C 22 25.186 -43.641 12.145 1.00 77.50 C ATOM 1988 CD LYS C 22 26.034 -44.654 12.891 1.00 73.38 C ATOM 1989 CE LYS C 22 27.244 -45.060 12.063 1.00 73.06 C ATOM 1990 NZ LYS C 22 28.402 -45.458 12.907 1.00 77.47 N ATOM 1991 HZ1 LYS C 22 28.680 -44.659 13.512 1.00 0.00 H ATOM 1992 HZ2 LYS C 22 28.134 -46.267 13.502 1.00 0.00 H ATOM 1993 HZ3 LYS C 22 29.200 -45.725 12.295 1.00 0.00 H ATOM 1994 H LYS C 22 21.876 -41.996 13.692 1.00 0.00 H ATOM 1995 N ASN C 23 22.671 -41.800 10.399 1.00 61.32 N ATOM 1996 CA ASN C 23 22.598 -41.823 8.939 1.00 61.96 C ATOM 1997 C ASN C 23 22.001 -40.558 8.294 1.00 58.69 C ATOM 1998 O ASN C 23 21.609 -40.586 7.129 1.00 55.02 O ATOM 1999 CB ASN C 23 21.786 -43.047 8.493 1.00 58.65 C ATOM 2000 CG ASN C 23 22.480 -44.366 8.817 1.00 63.46 C ATOM 2001 OD1 ASN C 23 23.407 -44.771 8.123 1.00 64.17 O ATOM 2002 ND2 ASN C 23 22.023 -45.046 9.862 1.00 64.99 N ATOM 2003 HD22 ASN C 23 21.235 -44.667 10.425 1.00 0.00 H ATOM 2004 HD21 ASN C 23 22.453 -45.958 10.118 1.00 0.00 H ATOM 2005 H ASN C 23 21.823 -42.060 10.942 1.00 0.00 H ATOM 2006 N ASN C 24 21.928 -39.466 9.057 1.00 57.61 N ATOM 2007 CA ASN C 24 21.447 -38.158 8.575 1.00 66.87 C ATOM 2008 C ASN C 24 19.999 -38.145 8.054 1.00 66.45 C ATOM 2009 O ASN C 24 19.662 -37.347 7.171 1.00 68.02 O ATOM 2010 CB ASN C 24 22.372 -37.613 7.476 1.00 60.59 C ATOM 2011 CG ASN C 24 23.842 -37.693 7.851 1.00 76.43 C ATOM 2012 OD1 ASN C 24 24.257 -37.215 8.912 1.00 75.42 O ATOM 2013 ND2 ASN C 24 24.641 -38.308 6.978 1.00 73.87 N ATOM 2014 HD22 ASN C 24 24.248 -38.696 6.097 1.00 0.00 H ATOM 2015 HD21 ASN C 24 25.657 -38.400 7.179 1.00 0.00 H ATOM 2016 H ASN C 24 22.228 -39.542 10.050 1.00 0.00 H ATOM 2017 N PHE C 25 19.157 -39.024 8.601 1.00 55.90 N ATOM 2018 CA PHE C 25 17.714 -38.981 8.367 1.00 57.23 C ATOM 2019 C PHE C 25 17.015 -38.215 9.485 1.00 59.89 C ATOM 2020 O PHE C 25 17.357 -38.381 10.651 1.00 52.77 O ATOM 2021 CB PHE C 25 17.117 -40.392 8.279 1.00 54.64 C ATOM 2022 CG PHE C 25 17.540 -41.158 7.065 1.00 50.15 C ATOM 2023 CD1 PHE C 25 17.084 -40.794 5.807 1.00 45.12 C ATOM 2024 CD2 PHE C 25 18.383 -42.253 7.179 1.00 46.40 C ATOM 2025 CE1 PHE C 25 17.474 -41.509 4.687 1.00 44.35 C ATOM 2026 CE2 PHE C 25 18.780 -42.969 6.056 1.00 50.49 C ATOM 2027 CZ PHE C 25 18.325 -42.597 4.815 1.00 52.69 C ATOM 2028 H PHE C 25 19.542 -39.768 9.217 1.00 0.00 H ATOM 2029 N ARG C 26 16.027 -37.399 9.132 1.00 43.32 N ATOM 2030 CA ARG C 26 15.220 -36.689 10.130 1.00 48.48 C ATOM 2031 C ARG C 26 13.963 -37.514 10.418 1.00 55.29 C ATOM 2032 O ARG C 26 13.494 -38.245 9.545 1.00 49.17 O ATOM 2033 CB ARG C 26 14.845 -35.277 9.645 1.00 45.32 C ATOM 2034 CG ARG C 26 15.846 -34.158 9.991 1.00 44.55 C ATOM 2035 CD ARG C 26 17.199 -34.379 9.307 1.00 52.08 C ATOM 2036 NE ARG C 26 18.042 -33.184 9.343 1.00 52.19 N ATOM 2037 CZ ARG C 26 19.315 -33.154 8.958 1.00 55.28 C ATOM 2038 NH1 ARG C 26 19.897 -34.264 8.523 1.00 58.20 N ATOM 2039 NH2 ARG C 26 20.009 -32.020 9.019 1.00 49.65 N ATOM 2040 HE ARG C 26 17.619 -32.301 9.692 1.00 0.00 H ATOM 2041 HH12 ARG C 26 20.892 -34.245 8.221 1.00 0.00 H ATOM 2042 HH11 ARG C 26 19.358 -35.153 8.484 1.00 0.00 H ATOM 2043 HH22 ARG C 26 21.004 -32.002 8.717 1.00 0.00 H ATOM 2044 HH21 ARG C 26 19.556 -31.152 9.369 1.00 0.00 H ATOM 2045 H ARG C 26 15.821 -37.260 8.122 1.00 0.00 H ATOM 2046 N ALA C 27 13.409 -37.407 11.629 1.00 44.36 N ATOM 2047 CA ALA C 27 12.238 -38.220 11.993 1.00 40.99 C ATOM 2048 C ALA C 27 11.362 -37.568 13.063 1.00 41.78 C ATOM 2049 O ALA C 27 11.848 -36.798 13.877 1.00 42.33 O ATOM 2050 CB ALA C 27 12.682 -39.591 12.469 1.00 47.39 C ATOM 2051 H ALA C 27 13.810 -36.742 12.321 1.00 0.00 H ATOM 2052 N THR C 28 10.069 -37.882 13.028 1.00 37.28 N ATOM 2053 CA THR C 28 9.126 -37.462 14.054 1.00 44.19 C ATOM 2054 C THR C 28 8.440 -38.730 14.578 1.00 43.59 C ATOM 2055 O THR C 28 8.024 -39.561 13.778 1.00 44.43 O ATOM 2056 CB THR C 28 8.105 -36.456 13.490 1.00 38.83 C ATOM 2057 OG1 THR C 28 8.791 -35.252 13.109 1.00 41.30 O ATOM 2058 CG2 THR C 28 7.049 -36.111 14.530 1.00 40.28 C ATOM 2059 HG1 THR C 28 9.239 -34.864 13.902 1.00 0.00 H ATOM 2060 H THR C 28 9.717 -38.452 12.233 1.00 0.00 H ATOM 2061 N LYS C 29 8.375 -38.898 15.902 1.00 38.53 N ATOM 2062 CA LYS C 29 7.827 -40.115 16.518 1.00 39.42 C ATOM 2063 C LYS C 29 6.471 -39.885 17.165 1.00 44.34 C ATOM 2064 O LYS C 29 6.252 -38.865 17.834 1.00 46.11 O ATOM 2065 CB LYS C 29 8.753 -40.674 17.618 1.00 48.93 C ATOM 2066 CG LYS C 29 10.222 -40.789 17.301 1.00 62.38 C ATOM 2067 CD LYS C 29 10.926 -41.750 18.289 1.00 73.52 C ATOM 2068 CE LYS C 29 10.830 -41.334 19.757 1.00 81.93 C ATOM 2069 NZ LYS C 29 9.631 -41.881 20.469 1.00 83.57 N ATOM 2070 HZ1 LYS C 29 8.767 -41.546 19.998 1.00 0.00 H ATOM 2071 HZ2 LYS C 29 9.660 -42.920 20.445 1.00 0.00 H ATOM 2072 HZ3 LYS C 29 9.637 -41.555 21.457 1.00 0.00 H ATOM 2073 H LYS C 29 8.725 -38.139 16.520 1.00 0.00 H ATOM 2074 N LEU C 30 5.600 -40.879 17.029 1.00 39.73 N ATOM 2075 CA LEU C 30 4.232 -40.851 17.561 1.00 47.11 C ATOM 2076 C LEU C 30 4.035 -42.070 18.455 1.00 44.44 C ATOM 2077 O LEU C 30 4.237 -43.189 18.000 1.00 46.16 O ATOM 2078 CB LEU C 30 3.176 -40.887 16.422 1.00 36.23 C ATOM 2079 CG LEU C 30 2.916 -39.740 15.455 1.00 48.64 C ATOM 2080 CD1 LEU C 30 4.213 -39.244 14.815 1.00 41.34 C ATOM 2081 CD2 LEU C 30 1.951 -40.201 14.360 1.00 49.04 C ATOM 2082 H LEU C 30 5.906 -41.729 16.514 1.00 0.00 H ATOM 2083 N ALA C 31 3.647 -41.877 19.707 1.00 48.81 N ATOM 2084 CA ALA C 31 3.225 -43.009 20.534 1.00 48.80 C ATOM 2085 C ALA C 31 1.875 -43.463 20.005 1.00 52.52 C ATOM 2086 O ALA C 31 0.913 -42.692 20.015 1.00 50.58 O ATOM 2087 CB ALA C 31 3.160 -42.623 21.997 1.00 56.58 C ATOM 2088 H ALA C 31 3.642 -40.916 20.105 1.00 0.00 H ATOM 2089 N THR C 32 1.798 -44.691 19.499 1.00 42.86 N ATOM 2090 CA THR C 32 0.528 -45.170 18.956 1.00 42.39 C ATOM 2091 C THR C 32 0.095 -46.450 19.641 1.00 46.73 C ATOM 2092 O THR C 32 0.730 -46.906 20.580 1.00 45.12 O ATOM 2093 CB THR C 32 0.607 -45.409 17.449 1.00 40.91 C ATOM 2094 OG1 THR C 32 1.754 -46.212 17.147 1.00 47.72 O ATOM 2095 CG2 THR C 32 0.757 -44.085 16.724 1.00 41.18 C ATOM 2096 HG1 THR C 32 1.679 -47.082 17.614 1.00 0.00 H ATOM 2097 H THR C 32 2.636 -45.307 19.490 1.00 0.00 H ATOM 2098 N THR C 33 -0.998 -47.024 19.167 1.00 43.43 N ATOM 2099 CA THR C 33 -1.415 -48.315 19.679 1.00 37.07 C ATOM 2100 C THR C 33 -2.009 -49.145 18.546 1.00 47.47 C ATOM 2101 O THR C 33 -2.545 -48.609 17.563 1.00 45.83 O ATOM 2102 CB THR C 33 -2.414 -48.167 20.841 1.00 47.08 C ATOM 2103 OG1 THR C 33 -2.466 -49.388 21.577 1.00 51.53 O ATOM 2104 CG2 THR C 33 -3.794 -47.823 20.339 1.00 36.59 C ATOM 2105 HG1 THR C 33 -1.567 -49.594 21.937 1.00 0.00 H ATOM 2106 H THR C 33 -1.557 -46.551 18.429 1.00 0.00 H ATOM 2107 N GLY C 34 -1.841 -50.462 18.649 1.00 50.11 N ATOM 2108 CA GLY C 34 -2.269 -51.366 17.591 1.00 48.90 C ATOM 2109 C GLY C 34 -3.749 -51.685 17.677 1.00 45.47 C ATOM 2110 O GLY C 34 -4.302 -51.800 18.765 1.00 51.01 O ATOM 2111 H GLY C 34 -1.395 -50.853 19.503 1.00 0.00 H ATOM 2112 N GLY C 35 -4.399 -51.825 16.530 1.00 48.76 N ATOM 2113 CA GLY C 35 -5.825 -52.092 16.518 1.00 50.23 C ATOM 2114 C GLY C 35 -6.162 -53.476 17.020 1.00 54.63 C ATOM 2115 O GLY C 35 -7.207 -53.677 17.640 1.00 51.71 O ATOM 2116 H GLY C 35 -3.882 -51.743 15.631 1.00 0.00 H ATOM 2117 N PHE C 36 -5.279 -54.440 16.759 1.00 43.26 N ATOM 2118 CA PHE C 36 -5.574 -55.832 17.077 1.00 54.86 C ATOM 2119 C PHE C 36 -5.208 -56.210 18.515 1.00 55.13 C ATOM 2120 O PHE C 36 -6.045 -56.717 19.261 1.00 53.68 O ATOM 2121 CB PHE C 36 -4.859 -56.763 16.091 1.00 53.64 C ATOM 2122 CG PHE C 36 -5.198 -58.219 16.279 1.00 59.43 C ATOM 2123 CD1 PHE C 36 -6.425 -58.715 15.872 1.00 62.36 C ATOM 2124 CD2 PHE C 36 -4.288 -59.090 16.858 1.00 61.67 C ATOM 2125 CE1 PHE C 36 -6.744 -60.058 16.045 1.00 78.20 C ATOM 2126 CE2 PHE C 36 -4.598 -60.436 17.036 1.00 68.06 C ATOM 2127 CZ PHE C 36 -5.827 -60.923 16.628 1.00 70.85 C ATOM 2128 H PHE C 36 -4.367 -54.196 16.323 1.00 0.00 H ATOM 2129 N LEU C 37 -3.963 -55.970 18.912 1.00 52.39 N ATOM 2130 CA LEU C 37 -3.527 -56.384 20.244 1.00 62.84 C ATOM 2131 C LEU C 37 -3.795 -55.294 21.277 1.00 61.03 C ATOM 2132 O LEU C 37 -3.752 -55.549 22.481 1.00 57.93 O ATOM 2133 CB LEU C 37 -2.045 -56.758 20.229 1.00 59.58 C ATOM 2134 CG LEU C 37 -1.757 -58.018 19.415 1.00 56.37 C ATOM 2135 CD1 LEU C 37 -0.272 -58.332 19.413 1.00 65.60 C ATOM 2136 CD2 LEU C 37 -2.560 -59.187 19.945 1.00 56.08 C ATOM 2137 H LEU C 37 -3.298 -55.487 18.274 1.00 0.00 H ATOM 2138 N ARG C 38 -4.066 -54.086 20.788 1.00 54.20 N ATOM 2139 CA ARG C 38 -4.406 -52.942 21.630 1.00 59.58 C ATOM 2140 C ARG C 38 -3.325 -52.658 22.670 1.00 66.12 C ATOM 2141 O ARG C 38 -3.611 -52.388 23.843 1.00 56.28 O ATOM 2142 CB ARG C 38 -5.774 -53.161 22.293 1.00 70.06 C ATOM 2143 CG ARG C 38 -6.935 -52.898 21.334 1.00 85.51 C ATOM 2144 CD ARG C 38 -8.285 -53.361 21.864 1.00102.16 C ATOM 2145 NE ARG C 38 -9.319 -53.239 20.835 1.00106.42 N ATOM 2146 CZ ARG C 38 -9.558 -54.149 19.893 1.00104.08 C ATOM 2147 NH1 ARG C 38 -8.852 -55.271 19.847 1.00104.72 N ATOM 2148 NH2 ARG C 38 -10.514 -53.941 19.001 1.00101.28 N ATOM 2149 HE ARG C 38 -9.908 -52.382 20.840 1.00 0.00 H ATOM 2150 HH12 ARG C 38 -9.045 -55.977 19.108 1.00 0.00 H ATOM 2151 HH11 ARG C 38 -8.106 -55.445 20.550 1.00 0.00 H ATOM 2152 HH22 ARG C 38 -10.702 -54.651 18.265 1.00 0.00 H ATOM 2153 HH21 ARG C 38 -11.077 -53.068 19.037 1.00 0.00 H ATOM 2154 H ARG C 38 -4.034 -53.950 19.757 1.00 0.00 H ATOM 2155 N ALA C 39 -2.078 -52.728 22.223 1.00 55.65 N ATOM 2156 CA ALA C 39 -0.934 -52.415 23.069 1.00 61.14 C ATOM 2157 C ALA C 39 -0.125 -51.315 22.416 1.00 56.78 C ATOM 2158 O ALA C 39 -0.233 -51.086 21.205 1.00 50.14 O ATOM 2159 CB ALA C 39 -0.078 -53.647 23.301 1.00 67.91 C ATOM 2160 H ALA C 39 -1.912 -53.015 21.237 1.00 0.00 H ATOM 2161 N GLY C 40 0.679 -50.623 23.210 1.00 51.33 N ATOM 2162 CA GLY C 40 1.425 -49.496 22.687 1.00 50.02 C ATOM 2163 C GLY C 40 2.420 -49.920 21.626 1.00 49.51 C ATOM 2164 O GLY C 40 3.013 -50.994 21.707 1.00 51.99 O ATOM 2165 H GLY C 40 0.775 -50.889 24.211 1.00 0.00 H ATOM 2166 N ASN C 41 2.572 -49.098 20.599 1.00 46.70 N ATOM 2167 CA ASN C 41 3.695 -49.238 19.683 1.00 50.70 C ATOM 2168 C ASN C 41 4.106 -47.835 19.243 1.00 47.75 C ATOM 2169 O ASN C 41 3.584 -46.849 19.749 1.00 42.06 O ATOM 2170 CB ASN C 41 3.374 -50.165 18.492 1.00 55.55 C ATOM 2171 CG ASN C 41 2.067 -49.818 17.773 1.00 54.05 C ATOM 2172 OD1 ASN C 41 1.579 -48.686 17.825 1.00 41.11 O ATOM 2173 ND2 ASN C 41 1.502 -50.814 17.078 1.00 48.11 N ATOM 2174 HD22 ASN C 41 1.947 -51.754 17.061 1.00 0.00 H ATOM 2175 HD21 ASN C 41 0.618 -50.647 16.556 1.00 0.00 H ATOM 2176 H ASN C 41 1.877 -48.340 20.444 1.00 0.00 H ATOM 2177 N THR C 42 5.084 -47.735 18.359 1.00 43.64 N ATOM 2178 CA THR C 42 5.602 -46.424 17.976 1.00 39.58 C ATOM 2179 C THR C 42 5.497 -46.224 16.470 1.00 40.47 C ATOM 2180 O THR C 42 5.855 -47.115 15.689 1.00 43.88 O ATOM 2181 CB THR C 42 7.073 -46.259 18.429 1.00 42.03 C ATOM 2182 OG1 THR C 42 7.156 -46.411 19.847 1.00 45.99 O ATOM 2183 CG2 THR C 42 7.626 -44.890 18.044 1.00 40.08 C ATOM 2184 HG1 THR C 42 6.831 -47.311 20.101 1.00 0.00 H ATOM 2185 H THR C 42 5.487 -48.594 17.934 1.00 0.00 H ATOM 2186 N THR C 43 4.994 -45.062 16.058 1.00 43.23 N ATOM 2187 CA THR C 43 4.962 -44.719 14.643 1.00 40.55 C ATOM 2188 C THR C 43 5.933 -43.568 14.352 1.00 41.32 C ATOM 2189 O THR C 43 5.888 -42.525 15.013 1.00 42.34 O ATOM 2190 CB THR C 43 3.522 -44.361 14.197 1.00 43.13 C ATOM 2191 OG1 THR C 43 2.666 -45.475 14.474 1.00 42.84 O ATOM 2192 CG2 THR C 43 3.452 -44.086 12.695 1.00 30.64 C ATOM 2193 HG1 THR C 43 2.680 -45.667 15.445 1.00 0.00 H ATOM 2194 H THR C 43 4.619 -44.390 16.757 1.00 0.00 H ATOM 2195 N PHE C 44 6.845 -43.794 13.397 1.00 36.34 N ATOM 2196 CA PHE C 44 7.770 -42.769 12.906 1.00 32.51 C ATOM 2197 C PHE C 44 7.265 -42.151 11.601 1.00 38.99 C ATOM 2198 O PHE C 44 6.811 -42.869 10.692 1.00 38.71 O ATOM 2199 CB PHE C 44 9.167 -43.348 12.632 1.00 30.29 C ATOM 2200 CG PHE C 44 9.970 -43.668 13.863 1.00 40.30 C ATOM 2201 CD1 PHE C 44 9.690 -44.792 14.622 1.00 49.03 C ATOM 2202 CD2 PHE C 44 11.054 -42.879 14.219 1.00 45.03 C ATOM 2203 CE1 PHE C 44 10.447 -45.092 15.757 1.00 42.92 C ATOM 2204 CE2 PHE C 44 11.816 -43.178 15.340 1.00 53.28 C ATOM 2205 CZ PHE C 44 11.514 -44.284 16.104 1.00 45.63 C ATOM 2206 H PHE C 44 6.899 -44.746 12.983 1.00 0.00 H ATOM 2207 N LEU C 45 7.382 -40.831 11.490 1.00 38.52 N ATOM 2208 CA LEU C 45 7.191 -40.153 10.204 1.00 37.47 C ATOM 2209 C LEU C 45 8.542 -39.637 9.681 1.00 38.20 C ATOM 2210 O LEU C 45 9.220 -38.880 10.369 1.00 40.70 O ATOM 2211 CB LEU C 45 6.191 -39.002 10.348 1.00 36.45 C ATOM 2212 CG LEU C 45 4.852 -39.315 11.032 1.00 43.26 C ATOM 2213 CD1 LEU C 45 4.034 -38.008 11.212 1.00 39.20 C ATOM 2214 CD2 LEU C 45 4.051 -40.382 10.247 1.00 32.28 C ATOM 2215 H LEU C 45 7.614 -40.268 12.333 1.00 0.00 H ATOM 2216 N CYS C 46 8.946 -40.066 8.481 1.00 37.05 N ATOM 2217 CA CYS C 46 10.251 -39.690 7.924 1.00 39.08 C ATOM 2218 C CYS C 46 10.133 -39.146 6.503 1.00 39.95 C ATOM 2219 O CYS C 46 9.849 -39.896 5.572 1.00 36.60 O ATOM 2220 CB CYS C 46 11.208 -40.883 7.906 1.00 42.64 C ATOM 2221 SG CYS C 46 11.558 -41.605 9.517 1.00 46.71 S ATOM 2222 H CYS C 46 8.318 -40.683 7.927 1.00 0.00 H ATOM 2223 N GLY C 47 10.336 -37.846 6.351 1.00 34.81 N ATOM 2224 CA GLY C 47 10.367 -37.222 5.036 1.00 36.37 C ATOM 2225 C GLY C 47 11.762 -37.419 4.481 1.00 37.80 C ATOM 2226 O GLY C 47 12.765 -37.037 5.108 1.00 39.56 O ATOM 2227 H GLY C 47 10.477 -37.254 7.195 1.00 0.00 H ATOM 2228 N VAL C 48 11.838 -38.030 3.307 1.00 36.13 N ATOM 2229 CA VAL C 48 13.126 -38.348 2.718 1.00 42.78 C ATOM 2230 C VAL C 48 13.135 -38.154 1.202 1.00 41.67 C ATOM 2231 O VAL C 48 12.121 -38.339 0.519 1.00 37.74 O ATOM 2232 CB VAL C 48 13.537 -39.793 3.052 1.00 44.45 C ATOM 2233 CG1 VAL C 48 12.774 -40.787 2.182 1.00 36.16 C ATOM 2234 CG2 VAL C 48 15.032 -39.963 2.892 1.00 52.95 C ATOM 2235 H VAL C 48 10.965 -38.284 2.802 1.00 0.00 H ATOM 2236 N ASN C 49 14.283 -37.741 0.686 1.00 48.81 N ATOM 2237 CA ASN C 49 14.477 -37.624 -0.753 1.00 48.97 C ATOM 2238 C ASN C 49 14.335 -38.998 -1.412 1.00 48.67 C ATOM 2239 O ASN C 49 14.806 -40.004 -0.875 1.00 47.58 O ATOM 2240 CB ASN C 49 15.846 -37.020 -1.063 1.00 54.70 C ATOM 2241 CG ASN C 49 16.059 -36.778 -2.549 1.00 78.93 C ATOM 2242 OD1 ASN C 49 16.281 -37.712 -3.320 1.00 86.25 O ATOM 2243 ND2 ASN C 49 16.002 -35.517 -2.955 1.00 84.60 N ATOM 2244 HD22 ASN C 49 15.812 -34.758 -2.270 1.00 0.00 H ATOM 2245 HD21 ASN C 49 16.148 -35.287 -3.959 1.00 0.00 H ATOM 2246 H ASN C 49 15.066 -37.494 1.325 1.00 0.00 H ATOM 2247 N ASP C 50 13.669 -39.027 -2.561 1.00 49.49 N ATOM 2248 CA ASP C 50 13.438 -40.252 -3.327 1.00 52.37 C ATOM 2249 C ASP C 50 14.707 -41.104 -3.456 1.00 49.82 C ATOM 2250 O ASP C 50 14.652 -42.333 -3.362 1.00 49.98 O ATOM 2251 CB ASP C 50 12.891 -39.881 -4.712 1.00 73.54 C ATOM 2252 CG ASP C 50 12.679 -41.084 -5.607 1.00 93.86 C ATOM 2253 OD1 ASP C 50 11.793 -41.914 -5.301 1.00 89.84 O ATOM 2254 OD2 ASP C 50 13.393 -41.187 -6.629 1.00107.97 O ATOM 2255 H ASP C 50 13.292 -38.133 -2.935 1.00 0.00 H ATOM 2256 N ASP C 51 15.843 -40.437 -3.644 1.00 47.15 N ATOM 2257 CA ASP C 51 17.135 -41.102 -3.825 1.00 52.88 C ATOM 2258 C ASP C 51 17.560 -41.955 -2.624 1.00 50.47 C ATOM 2259 O ASP C 51 18.435 -42.805 -2.747 1.00 48.25 O ATOM 2260 CB ASP C 51 18.237 -40.067 -4.105 1.00 48.50 C ATOM 2261 CG ASP C 51 17.973 -39.246 -5.364 1.00 80.49 C ATOM 2262 OD1 ASP C 51 17.070 -39.611 -6.152 1.00 78.55 O ATOM 2263 OD2 ASP C 51 18.680 -38.231 -5.567 1.00 94.22 O ATOM 2264 H ASP C 51 15.812 -39.398 -3.663 1.00 0.00 H ATOM 2265 N ARG C 52 16.976 -41.715 -1.461 1.00 46.09 N ATOM 2266 CA ARG C 52 17.446 -42.393 -0.251 1.00 54.23 C ATOM 2267 C ARG C 52 16.433 -43.374 0.357 1.00 50.07 C ATOM 2268 O ARG C 52 16.624 -43.855 1.476 1.00 48.19 O ATOM 2269 CB ARG C 52 17.842 -41.361 0.811 1.00 54.55 C ATOM 2270 CG ARG C 52 18.948 -40.416 0.405 1.00 61.58 C ATOM 2271 CD ARG C 52 19.438 -39.593 1.603 1.00 66.38 C ATOM 2272 NE ARG C 52 20.283 -40.379 2.499 1.00 66.15 N ATOM 2273 CZ ARG C 52 20.461 -40.131 3.798 1.00 62.25 C ATOM 2274 NH1 ARG C 52 19.854 -39.113 4.392 1.00 56.99 N ATOM 2275 NH2 ARG C 52 21.260 -40.912 4.508 1.00 57.81 N ATOM 2276 HE ARG C 52 20.784 -41.195 2.093 1.00 0.00 H ATOM 2277 HH12 ARG C 52 20.006 -38.937 5.406 1.00 0.00 H ATOM 2278 HH11 ARG C 52 19.226 -38.491 3.844 1.00 0.00 H ATOM 2279 HH22 ARG C 52 21.404 -40.725 5.521 1.00 0.00 H ATOM 2280 HH21 ARG C 52 21.744 -41.712 4.053 1.00 0.00 H ATOM 2281 H ARG C 52 16.183 -41.045 -1.406 1.00 0.00 H ATOM 2282 N VAL C 53 15.368 -43.679 -0.375 1.00 45.60 N ATOM 2283 CA VAL C 53 14.333 -44.577 0.135 1.00 44.99 C ATOM 2284 C VAL C 53 14.862 -45.996 0.389 1.00 47.98 C ATOM 2285 O VAL C 53 14.544 -46.586 1.415 1.00 43.20 O ATOM 2286 CB VAL C 53 13.101 -44.626 -0.820 1.00 39.58 C ATOM 2287 CG1 VAL C 53 12.104 -45.734 -0.416 1.00 35.78 C ATOM 2288 CG2 VAL C 53 12.381 -43.268 -0.819 1.00 37.89 C ATOM 2289 H VAL C 53 15.268 -43.272 -1.327 1.00 0.00 H ATOM 2290 N ASP C 54 15.673 -46.546 -0.514 1.00 45.39 N ATOM 2291 CA ASP C 54 16.207 -47.891 -0.290 1.00 49.85 C ATOM 2292 C ASP C 54 17.077 -47.900 0.962 1.00 52.93 C ATOM 2293 O ASP C 54 16.967 -48.788 1.815 1.00 50.45 O ATOM 2294 CB ASP C 54 17.020 -48.383 -1.496 1.00 48.22 C ATOM 2295 CG ASP C 54 16.153 -48.646 -2.704 1.00 58.81 C ATOM 2296 OD1 ASP C 54 14.960 -48.966 -2.517 1.00 61.93 O ATOM 2297 OD2 ASP C 54 16.658 -48.525 -3.836 1.00 73.80 O ATOM 2298 H ASP C 54 15.926 -46.021 -1.376 1.00 0.00 H ATOM 2299 N GLU C 55 17.935 -46.895 1.056 1.00 43.21 N ATOM 2300 CA GLU C 55 18.781 -46.705 2.224 1.00 54.02 C ATOM 2301 C GLU C 55 17.984 -46.690 3.539 1.00 51.64 C ATOM 2302 O GLU C 55 18.334 -47.397 4.482 1.00 53.37 O ATOM 2303 CB GLU C 55 19.571 -45.411 2.065 1.00 51.45 C ATOM 2304 CG GLU C 55 20.673 -45.224 3.057 1.00 68.88 C ATOM 2305 CD GLU C 55 21.396 -43.918 2.842 1.00 75.31 C ATOM 2306 OE1 GLU C 55 21.257 -43.333 1.739 1.00 69.23 O ATOM 2307 OE2 GLU C 55 22.100 -43.482 3.777 1.00 75.78 O ATOM 2308 H GLU C 55 18.006 -46.219 0.269 1.00 0.00 H ATOM 2309 N ILE C 56 16.906 -45.914 3.610 1.00 45.83 N ATOM 2310 CA ILE C 56 16.185 -45.838 4.881 1.00 48.39 C ATOM 2311 C ILE C 56 15.412 -47.129 5.170 1.00 55.21 C ATOM 2312 O ILE C 56 15.280 -47.518 6.338 1.00 48.09 O ATOM 2313 CB ILE C 56 15.238 -44.627 4.957 1.00 42.52 C ATOM 2314 CG1 ILE C 56 14.892 -44.336 6.429 1.00 49.17 C ATOM 2315 CG2 ILE C 56 13.955 -44.804 4.074 1.00 44.39 C ATOM 2316 CD1 ILE C 56 14.133 -43.043 6.664 1.00 46.33 C ATOM 2317 H ILE C 56 16.583 -45.374 2.782 1.00 0.00 H ATOM 2318 N LEU C 57 14.945 -47.819 4.127 1.00 48.37 N ATOM 2319 CA LEU C 57 14.227 -49.086 4.328 1.00 49.42 C ATOM 2320 C LEU C 57 15.183 -50.094 4.940 1.00 54.51 C ATOM 2321 O LEU C 57 14.818 -50.871 5.829 1.00 50.28 O ATOM 2322 CB LEU C 57 13.661 -49.634 3.016 1.00 53.35 C ATOM 2323 CG LEU C 57 12.503 -48.888 2.352 1.00 48.47 C ATOM 2324 CD1 LEU C 57 12.052 -49.638 1.111 1.00 52.83 C ATOM 2325 CD2 LEU C 57 11.335 -48.678 3.302 1.00 47.63 C ATOM 2326 H LEU C 57 15.091 -47.457 3.163 1.00 0.00 H ATOM 2327 N SER C 58 16.418 -50.058 4.456 1.00 47.40 N ATOM 2328 CA SER C 58 17.475 -50.913 4.960 1.00 50.98 C ATOM 2329 C SER C 58 17.758 -50.693 6.450 1.00 62.16 C ATOM 2330 O SER C 58 17.991 -51.649 7.191 1.00 54.09 O ATOM 2331 CB SER C 58 18.748 -50.687 4.151 1.00 61.33 C ATOM 2332 OG SER C 58 19.793 -51.511 4.623 1.00 81.17 O ATOM 2333 HG SER C 58 19.975 -51.299 5.573 1.00 0.00 H ATOM 2334 H SER C 58 16.636 -49.392 3.687 1.00 0.00 H ATOM 2335 N VAL C 59 17.749 -49.435 6.884 1.00 52.05 N ATOM 2336 CA VAL C 59 17.962 -49.111 8.293 1.00 53.03 C ATOM 2337 C VAL C 59 16.831 -49.674 9.163 1.00 48.91 C ATOM 2338 O VAL C 59 17.084 -50.261 10.230 1.00 51.28 O ATOM 2339 CB VAL C 59 18.072 -47.579 8.510 1.00 61.94 C ATOM 2340 CG1 VAL C 59 18.091 -47.235 10.001 1.00 51.30 C ATOM 2341 CG2 VAL C 59 19.310 -47.023 7.814 1.00 57.31 C ATOM 2342 H VAL C 59 17.587 -48.665 6.205 1.00 0.00 H ATOM 2343 N ILE C 60 15.597 -49.504 8.693 1.00 47.08 N ATOM 2344 CA ILE C 60 14.404 -49.972 9.412 1.00 51.27 C ATOM 2345 C ILE C 60 14.438 -51.488 9.542 1.00 57.94 C ATOM 2346 O ILE C 60 14.227 -52.042 10.625 1.00 64.54 O ATOM 2347 CB ILE C 60 13.111 -49.534 8.707 1.00 53.57 C ATOM 2348 CG1 ILE C 60 13.027 -48.007 8.661 1.00 51.61 C ATOM 2349 CG2 ILE C 60 11.866 -50.085 9.405 1.00 38.67 C ATOM 2350 CD1 ILE C 60 12.031 -47.504 7.638 1.00 43.52 C ATOM 2351 H ILE C 60 15.472 -49.021 7.781 1.00 0.00 H ATOM 2352 N ASN C 61 14.743 -52.150 8.432 1.00 46.82 N ATOM 2353 CA ASN C 61 14.868 -53.597 8.418 1.00 52.16 C ATOM 2354 C ASN C 61 15.931 -54.111 9.377 1.00 58.70 C ATOM 2355 O ASN C 61 15.708 -55.096 10.071 1.00 57.04 O ATOM 2356 CB ASN C 61 15.170 -54.071 7.004 1.00 59.35 C ATOM 2357 CG ASN C 61 15.185 -55.571 6.892 1.00 62.43 C ATOM 2358 OD1 ASN C 61 14.343 -56.254 7.467 1.00 65.20 O ATOM 2359 ND2 ASN C 61 16.143 -56.096 6.141 1.00 70.73 N ATOM 2360 HD22 ASN C 61 16.835 -55.477 5.673 1.00 0.00 H ATOM 2361 HD21 ASN C 61 16.203 -57.127 6.020 1.00 0.00 H ATOM 2362 H ASN C 61 14.896 -51.619 7.551 1.00 0.00 H ATOM 2363 N GLN C 62 17.089 -53.457 9.417 1.00 65.25 N ATOM 2364 CA GLN C 62 18.166 -53.883 10.316 1.00 60.22 C ATOM 2365 C GLN C 62 17.825 -53.689 11.793 1.00 62.39 C ATOM 2366 O GLN C 62 18.053 -54.583 12.604 1.00 71.72 O ATOM 2367 CB GLN C 62 19.461 -53.137 9.997 1.00 71.20 C ATOM 2368 CG GLN C 62 20.005 -53.364 8.599 1.00 77.52 C ATOM 2369 CD GLN C 62 21.442 -52.907 8.474 1.00 73.38 C ATOM 2370 OE1 GLN C 62 22.354 -53.511 9.042 1.00 88.20 O ATOM 2371 NE2 GLN C 62 21.650 -51.817 7.743 1.00 65.97 N ATOM 2372 HE22 GLN C 62 20.849 -51.340 7.282 1.00 0.00 H ATOM 2373 HE21 GLN C 62 22.613 -51.441 7.632 1.00 0.00 H ATOM 2374 H GLN C 62 17.232 -52.631 8.801 1.00 0.00 H ATOM 2375 N THR C 63 17.268 -52.530 12.140 1.00 55.69 N ATOM 2376 CA THR C 63 17.033 -52.203 13.543 1.00 67.04 C ATOM 2377 C THR C 63 15.728 -52.803 14.071 1.00 67.11 C ATOM 2378 O THR C 63 15.641 -53.222 15.221 1.00 60.99 O ATOM 2379 CB THR C 63 17.007 -50.686 13.755 1.00 61.72 C ATOM 2380 OG1 THR C 63 16.060 -50.104 12.851 1.00 66.93 O ATOM 2381 CG2 THR C 63 18.387 -50.098 13.495 1.00 58.36 C ATOM 2382 HG1 THR C 63 16.327 -50.307 11.920 1.00 0.00 H ATOM 2383 H THR C 63 16.997 -51.849 11.402 1.00 0.00 H ATOM 2384 N CYS C 64 14.712 -52.833 13.221 1.00 57.59 N ATOM 2385 CA CYS C 64 13.426 -53.396 13.593 1.00 58.76 C ATOM 2386 C CYS C 64 13.164 -54.547 12.633 1.00 69.31 C ATOM 2387 O CYS C 64 13.963 -54.786 11.740 1.00 77.82 O ATOM 2388 CB CYS C 64 12.326 -52.360 13.405 1.00 57.11 C ATOM 2389 SG CYS C 64 12.844 -50.697 13.983 1.00 54.81 S ATOM 2390 H CYS C 64 14.838 -52.444 12.265 1.00 0.00 H ATOM 2391 N GLY C 65 12.082 -55.290 12.796 1.00 67.73 N ATOM 2392 CA GLY C 65 11.863 -56.383 11.860 1.00 77.91 C ATOM 2393 C GLY C 65 12.120 -57.658 12.638 1.00 64.38 C ATOM 2394 O GLY C 65 12.901 -57.657 13.584 1.00 66.48 O ATOM 2395 H GLY C 65 11.410 -55.100 13.567 1.00 0.00 H ATOM 2396 N ASN C 66 11.468 -58.744 12.231 1.00 74.19 N ATOM 2397 CA ASN C 66 11.360 -59.934 13.070 1.00 76.62 C ATOM 2398 C ASN C 66 12.620 -60.800 13.138 1.00 73.33 C ATOM 2399 O ASN C 66 13.571 -60.589 12.390 1.00 77.92 O ATOM 2400 CB ASN C 66 10.159 -60.781 12.616 1.00 94.30 C ATOM 2401 CG ASN C 66 10.286 -61.281 11.182 1.00 80.00 C ATOM 2402 OD1 ASN C 66 11.382 -61.559 10.692 1.00 80.00 O ATOM 2403 ND2 ASN C 66 9.149 -61.414 10.507 1.00 80.00 N ATOM 2404 HD22 ASN C 66 8.245 -61.168 10.958 1.00 0.00 H ATOM 2405 HD21 ASN C 66 9.163 -61.764 9.528 1.00 0.00 H ATOM 2406 H ASN C 66 11.024 -58.745 11.291 1.00 0.00 H TER 2407 ASN C 66 ATOM 2408 N GLU C 92 10.560 -64.445 15.440 1.00101.38 N ATOM 2409 CA GLU C 92 9.396 -64.745 16.265 1.00 99.19 C ATOM 2410 C GLU C 92 8.824 -63.477 16.893 1.00106.98 C ATOM 2411 O GLU C 92 7.621 -63.381 17.133 1.00 80.00 O ATOM 2412 CB GLU C 92 9.757 -65.756 17.355 1.00 20.00 C ATOM 2413 CG GLU C 92 10.705 -66.851 16.897 1.00 20.00 C ATOM 2414 CD GLU C 92 10.745 -68.025 17.854 1.00 20.00 C ATOM 2415 OE1 GLU C 92 9.903 -68.072 18.776 1.00 20.00 O ATOM 2416 OE2 GLU C 92 11.618 -68.902 17.686 1.00 20.00 O ATOM 2417 HN3 GLU C 92 11.296 -64.004 16.028 1.00 0.00 H ATOM 2418 HN2 GLU C 92 10.285 -63.792 14.679 1.00 0.00 H ATOM 2419 HN1 GLU C 92 10.927 -65.326 15.027 1.00 0.00 H ATOM 2420 N VAL C 93 9.695 -62.509 17.156 1.00 94.44 N ATOM 2421 CA VAL C 93 9.279 -61.247 17.756 1.00 90.75 C ATOM 2422 C VAL C 93 9.737 -60.060 16.916 1.00 86.67 C ATOM 2423 O VAL C 93 10.424 -60.228 15.909 1.00 80.46 O ATOM 2424 CB VAL C 93 9.827 -61.094 19.187 1.00 90.09 C ATOM 2425 CG1 VAL C 93 9.043 -61.969 20.152 1.00 90.00 C ATOM 2426 CG2 VAL C 93 11.308 -61.438 19.226 1.00 89.25 C ATOM 2427 H VAL C 93 10.699 -62.655 16.928 1.00 0.00 H ATOM 2428 N GLY C 94 9.351 -58.859 17.337 1.00 77.78 N ATOM 2429 CA GLY C 94 9.719 -57.648 16.628 1.00 70.25 C ATOM 2430 C GLY C 94 8.887 -57.471 15.373 1.00 61.98 C ATOM 2431 O GLY C 94 7.765 -57.971 15.287 1.00 75.05 O ATOM 2432 H GLY C 94 8.770 -58.786 18.197 1.00 0.00 H ATOM 2433 N GLY C 95 9.436 -56.770 14.390 1.00 51.88 N ATOM 2434 CA GLY C 95 8.728 -56.561 13.142 1.00 60.78 C ATOM 2435 C GLY C 95 8.487 -55.096 12.843 1.00 58.20 C ATOM 2436 O GLY C 95 8.328 -54.274 13.751 1.00 55.66 O ATOM 2437 H GLY C 95 10.386 -56.365 14.516 1.00 0.00 H ATOM 2438 N ALA C 96 8.468 -54.759 11.559 1.00 48.18 N ATOM 2439 CA ALA C 96 8.158 -53.398 11.151 1.00 40.06 C ATOM 2440 C ALA C 96 7.227 -53.372 9.931 1.00 47.09 C ATOM 2441 O ALA C 96 7.366 -54.182 9.005 1.00 47.84 O ATOM 2442 CB ALA C 96 9.438 -52.629 10.864 1.00 48.74 C ATOM 2443 H ALA C 96 8.677 -55.477 10.836 1.00 0.00 H ATOM 2444 N THR C 97 6.269 -52.449 9.964 1.00 43.99 N ATOM 2445 CA THR C 97 5.307 -52.241 8.878 1.00 43.59 C ATOM 2446 C THR C 97 5.544 -50.845 8.320 1.00 45.39 C ATOM 2447 O THR C 97 5.500 -49.856 9.055 1.00 41.84 O ATOM 2448 CB THR C 97 3.835 -52.398 9.369 1.00 41.14 C ATOM 2449 OG1 THR C 97 3.654 -53.711 9.919 1.00 44.69 O ATOM 2450 CG2 THR C 97 2.823 -52.189 8.236 1.00 36.26 C ATOM 2451 HG1 THR C 97 4.273 -53.836 10.682 1.00 0.00 H ATOM 2452 H THR C 97 6.199 -51.842 10.806 1.00 0.00 H ATOM 2453 N VAL C 98 5.811 -50.765 7.021 1.00 40.35 N ATOM 2454 CA VAL C 98 6.249 -49.509 6.419 1.00 41.23 C ATOM 2455 C VAL C 98 5.449 -49.130 5.179 1.00 39.16 C ATOM 2456 O VAL C 98 5.295 -49.941 4.256 1.00 39.19 O ATOM 2457 CB VAL C 98 7.739 -49.572 6.028 1.00 43.14 C ATOM 2458 CG1 VAL C 98 8.232 -48.203 5.575 1.00 39.02 C ATOM 2459 CG2 VAL C 98 8.596 -50.083 7.193 1.00 45.81 C ATOM 2460 H VAL C 98 5.706 -51.610 6.424 1.00 0.00 H ATOM 2461 N PHE C 99 4.961 -47.892 5.157 1.00 34.77 N ATOM 2462 CA PHE C 99 4.336 -47.320 3.953 1.00 34.77 C ATOM 2463 C PHE C 99 5.200 -46.222 3.335 1.00 42.11 C ATOM 2464 O PHE C 99 5.702 -45.351 4.041 1.00 40.40 O ATOM 2465 CB PHE C 99 2.967 -46.744 4.277 1.00 32.53 C ATOM 2466 CG PHE C 99 2.043 -47.724 4.915 1.00 39.17 C ATOM 2467 CD1 PHE C 99 2.029 -47.890 6.293 1.00 39.71 C ATOM 2468 CD2 PHE C 99 1.181 -48.481 4.143 1.00 44.67 C ATOM 2469 CE1 PHE C 99 1.170 -48.801 6.888 1.00 36.75 C ATOM 2470 CE2 PHE C 99 0.322 -49.398 4.732 1.00 50.88 C ATOM 2471 CZ PHE C 99 0.322 -49.562 6.112 1.00 38.99 C ATOM 2472 H PHE C 99 5.023 -47.311 6.017 1.00 0.00 H ATOM 2473 N VAL C 100 5.375 -46.271 2.019 1.00 36.55 N ATOM 2474 CA VAL C 100 6.050 -45.188 1.283 1.00 34.82 C ATOM 2475 C VAL C 100 5.011 -44.373 0.511 1.00 39.36 C ATOM 2476 O VAL C 100 4.308 -44.913 -0.364 1.00 35.75 O ATOM 2477 CB VAL C 100 7.113 -45.734 0.286 1.00 35.64 C ATOM 2478 CG1 VAL C 100 7.825 -44.578 -0.437 1.00 35.93 C ATOM 2479 CG2 VAL C 100 8.143 -46.648 0.991 1.00 37.36 C ATOM 2480 H VAL C 100 5.025 -47.098 1.493 1.00 0.00 H ATOM 2481 N MET C 101 4.924 -43.080 0.802 1.00 32.43 N ATOM 2482 CA MET C 101 3.839 -42.261 0.265 1.00 35.99 C ATOM 2483 C MET C 101 4.368 -41.041 -0.499 1.00 38.32 C ATOM 2484 O MET C 101 5.364 -40.442 -0.102 1.00 38.91 O ATOM 2485 CB MET C 101 2.910 -41.810 1.395 1.00 32.44 C ATOM 2486 CG MET C 101 2.194 -42.981 2.072 1.00 35.40 C ATOM 2487 SD MET C 101 1.143 -42.488 3.456 1.00 41.57 S ATOM 2488 CE MET C 101 -0.199 -41.581 2.624 1.00 33.23 C ATOM 2489 H MET C 101 5.638 -42.644 1.420 1.00 0.00 H ATOM 2490 N PRO C 102 3.676 -40.658 -1.581 1.00 36.07 N ATOM 2491 CA PRO C 102 4.137 -39.512 -2.369 1.00 36.87 C ATOM 2492 C PRO C 102 3.934 -38.183 -1.645 1.00 43.54 C ATOM 2493 O PRO C 102 2.966 -38.013 -0.892 1.00 34.75 O ATOM 2494 CB PRO C 102 3.273 -39.583 -3.639 1.00 41.44 C ATOM 2495 CG PRO C 102 2.006 -40.284 -3.199 1.00 37.27 C ATOM 2496 CD PRO C 102 2.448 -41.276 -2.135 1.00 36.00 C ATOM 2497 N VAL C 103 4.846 -37.252 -1.909 1.00 40.55 N ATOM 2498 CA VAL C 103 4.812 -35.906 -1.356 1.00 41.08 C ATOM 2499 C VAL C 103 4.823 -34.865 -2.482 1.00 47.01 C ATOM 2500 O VAL C 103 5.707 -34.907 -3.340 1.00 39.41 O ATOM 2501 CB VAL C 103 6.026 -35.666 -0.443 1.00 38.97 C ATOM 2502 CG1 VAL C 103 6.076 -34.219 -0.011 1.00 37.35 C ATOM 2503 CG2 VAL C 103 5.990 -36.608 0.767 1.00 40.84 C ATOM 2504 H VAL C 103 5.629 -37.500 -2.547 1.00 0.00 H ATOM 2505 N ASP C 104 3.869 -33.931 -2.485 1.00 39.64 N ATOM 2506 CA ASP C 104 3.856 -32.857 -3.494 1.00 41.30 C ATOM 2507 C ASP C 104 4.928 -31.787 -3.272 1.00 43.46 C ATOM 2508 O ASP C 104 5.554 -31.325 -4.222 1.00 43.06 O ATOM 2509 CB ASP C 104 2.488 -32.173 -3.541 1.00 42.60 C ATOM 2510 CG ASP C 104 1.441 -33.009 -4.230 1.00 47.15 C ATOM 2511 OD1 ASP C 104 1.817 -33.962 -4.937 1.00 46.45 O ATOM 2512 OD2 ASP C 104 0.240 -32.721 -4.052 1.00 50.61 O ATOM 2513 H ASP C 104 3.122 -33.962 -1.762 1.00 0.00 H ATOM 2514 N ALA C 105 5.112 -31.365 -2.023 1.00 39.77 N ATOM 2515 CA ALA C 105 6.047 -30.273 -1.707 1.00 40.15 C ATOM 2516 C ALA C 105 6.551 -30.384 -0.270 1.00 44.48 C ATOM 2517 O ALA C 105 5.930 -31.050 0.574 1.00 36.85 O ATOM 2518 CB ALA C 105 5.391 -28.911 -1.934 1.00 42.84 C ATOM 2519 H ALA C 105 4.582 -31.818 -1.251 1.00 0.00 H ATOM 2520 N PHE C 106 7.682 -29.741 -0.005 1.00 40.94 N ATOM 2521 CA PHE C 106 8.345 -29.816 1.300 1.00 45.99 C ATOM 2522 C PHE C 106 8.839 -28.415 1.643 1.00 50.15 C ATOM 2523 O PHE C 106 9.506 -27.797 0.820 1.00 48.30 O ATOM 2524 CB PHE C 106 9.489 -30.835 1.227 1.00 54.45 C ATOM 2525 CG PHE C 106 10.372 -30.893 2.450 1.00 49.86 C ATOM 2526 CD1 PHE C 106 9.855 -31.185 3.694 1.00 54.52 C ATOM 2527 CD2 PHE C 106 11.736 -30.720 2.331 1.00 56.17 C ATOM 2528 CE1 PHE C 106 10.685 -31.265 4.806 1.00 57.21 C ATOM 2529 CE2 PHE C 106 12.569 -30.802 3.437 1.00 61.83 C ATOM 2530 CZ PHE C 106 12.048 -31.066 4.673 1.00 50.57 C ATOM 2531 H PHE C 106 8.114 -29.162 -0.753 1.00 0.00 H ATOM 2532 N HIS C 107 8.485 -27.884 2.816 1.00 33.84 N ATOM 2533 CA HIS C 107 8.898 -26.513 3.158 1.00 36.73 C ATOM 2534 C HIS C 107 9.468 -26.461 4.558 1.00 46.76 C ATOM 2535 O HIS C 107 9.044 -27.222 5.427 1.00 44.20 O ATOM 2536 CB HIS C 107 7.725 -25.528 3.096 1.00 44.40 C ATOM 2537 CG HIS C 107 7.043 -25.464 1.764 1.00 51.27 C ATOM 2538 ND1 HIS C 107 7.324 -24.495 0.826 1.00 53.44 N ATOM 2539 CD2 HIS C 107 6.091 -26.254 1.215 1.00 50.69 C ATOM 2540 CE1 HIS C 107 6.569 -24.687 -0.242 1.00 47.76 C ATOM 2541 NE2 HIS C 107 5.818 -25.752 -0.034 1.00 51.65 N ATOM 2542 H HIS C 107 7.918 -28.439 3.488 1.00 0.00 H ATOM 2543 N GLN C 108 10.415 -25.562 4.782 1.00 41.09 N ATOM 2544 CA GLN C 108 10.778 -25.179 6.148 1.00 53.51 C ATOM 2545 C GLN C 108 10.616 -23.669 6.314 1.00 54.28 C ATOM 2546 O GLN C 108 11.029 -22.891 5.451 1.00 58.08 O ATOM 2547 CB GLN C 108 12.210 -25.629 6.493 1.00 50.78 C ATOM 2548 CG GLN C 108 12.285 -27.087 6.939 1.00 55.40 C ATOM 2549 CD GLN C 108 13.594 -27.443 7.623 1.00 55.82 C ATOM 2550 OE1 GLN C 108 14.634 -26.844 7.352 1.00 56.98 O ATOM 2551 NE2 GLN C 108 13.539 -28.408 8.538 1.00 51.66 N ATOM 2552 HE22 GLN C 108 12.637 -28.887 8.735 1.00 0.00 H ATOM 2553 HE21 GLN C 108 14.398 -28.683 9.056 1.00 0.00 H ATOM 2554 H GLN C 108 10.907 -25.123 3.978 1.00 0.00 H ATOM 2555 N PHE C 109 9.997 -23.259 7.418 1.00 56.40 N ATOM 2556 CA PHE C 109 9.785 -21.843 7.708 1.00 54.98 C ATOM 2557 C PHE C 109 10.493 -21.453 8.997 1.00 51.15 C ATOM 2558 O PHE C 109 10.813 -20.286 9.229 1.00 53.13 O ATOM 2559 CB PHE C 109 8.293 -21.523 7.825 1.00 57.95 C ATOM 2560 CG PHE C 109 7.504 -21.841 6.592 1.00 58.22 C ATOM 2561 CD1 PHE C 109 7.760 -21.177 5.401 1.00 63.92 C ATOM 2562 CD2 PHE C 109 6.496 -22.794 6.623 1.00 58.86 C ATOM 2563 CE1 PHE C 109 7.029 -21.464 4.255 1.00 57.11 C ATOM 2564 CE2 PHE C 109 5.765 -23.085 5.482 1.00 58.53 C ATOM 2565 CZ PHE C 109 6.035 -22.417 4.297 1.00 50.04 C ATOM 2566 OXT PHE C 109 10.749 -22.320 9.837 1.00 55.58 O ATOM 2567 H PHE C 109 9.653 -23.969 8.096 1.00 0.00 H TER 2568 PHE C 109 HETATM 2569 CA CA A 1 3.046 -19.659 22.623 1.00 70.66 CA HETATM 2570 O HOH 2 -23.760 -39.661 7.910 1.00 63.75 O HETATM 2571 O HOH 3 4.820 -19.049 20.726 1.00 65.52 O HETATM 2572 O HOH 4 -8.043 -27.551 6.836 1.00 53.99 O HETATM 2573 O HOH 5 10.457 -27.485 12.073 1.00 30.00 O HETATM 2574 O HOH 6 16.414 -30.634 9.419 1.00 30.00 O HETATM 2575 O HOH 7 -4.447 -34.307 -4.400 1.00 38.37 O HETATM 2576 O HOH 8 13.620 -26.129 14.778 1.00 65.03 O HETATM 2577 O HOH 9 6.443 -39.540 20.865 1.00 56.56 O HETATM 2578 O HOH 10 -3.662 -41.793 -6.845 1.00 61.87 O HETATM 2579 O HOH 11 9.481 -27.579 14.275 1.00 71.24 O HETATM 2580 O HOH 12 -13.268 -42.870 -2.170 1.00 55.89 O HETATM 2581 O HOH 13 14.551 -31.612 7.394 1.00 48.87 O HETATM 2582 O HOH 14 0.000 -39.318 -0.124 1.00 46.70 O HETATM 2583 O HOH 15 -12.573 -29.131 5.803 1.00 55.63 O HETATM 2584 O HOH 16 -11.496 -21.251 -1.686 1.00 64.93 O HETATM 2585 O HOH 17 7.173 -23.710 15.668 1.00 47.41 O HETATM 2586 O HOH 18 -10.219 -26.148 2.495 1.00 49.11 O HETATM 2587 O HOH 19 12.812 -33.191 19.667 1.00 54.99 O HETATM 2588 O HOH 20 -8.631 -34.755 -3.882 1.00 48.63 O HETATM 2589 O HOH 21 4.612 -32.835 22.559 1.00 65.12 O HETATM 2590 O HOH 22 2.766 -19.167 0.967 1.00 60.32 O HETATM 2591 O HOH 23 8.490 -28.356 21.005 1.00 53.36 O HETATM 2592 O HOH 24 -4.069 -20.207 -1.327 1.00 58.85 O HETATM 2593 O HOH 25 12.177 -59.723 7.910 1.00 63.75 O HETATM 2594 O HOH 26 -19.963 -45.278 20.726 1.00 65.52 O HETATM 2595 O HOH 27 -6.169 -52.166 6.836 1.00 53.99 O HETATM 2596 O HOH 28 -15.476 -36.178 12.073 1.00 30.00 O HETATM 2597 O HOH 29 -15.727 -29.444 9.419 1.00 30.00 O HETATM 2598 O HOH 30 -2.116 -45.674 -4.400 1.00 38.37 O HETATM 2599 O HOH 31 -18.232 -34.117 14.778 1.00 65.03 O HETATM 2600 O HOH 32 -3.029 -33.627 20.865 1.00 56.56 O HETATM 2601 O HOH 33 3.975 -41.251 -6.845 1.00 61.87 O HETATM 2602 O HOH 34 -14.906 -36.976 14.275 1.00 71.24 O HETATM 2603 O HOH 35 9.711 -49.032 -2.170 1.00 55.89 O HETATM 2604 O HOH 36 -13.949 -30.569 7.394 1.00 48.87 O HETATM 2605 O HOH 37 -2.535 -55.299 5.803 1.00 55.63 O HETATM 2606 O HOH 38 -9.898 -58.307 -1.686 1.00 64.93 O HETATM 2607 O HOH 39 -17.103 -40.909 15.668 1.00 47.41 O HETATM 2608 O HOH 40 -6.296 -54.752 2.495 1.00 49.11 O HETATM 2609 O HOH 41 -11.712 -31.285 19.667 1.00 54.99 O HETATM 2610 O HOH 42 0.364 -49.073 -3.882 1.00 48.63 O HETATM 2611 O HOH 43 -7.920 -38.565 22.559 1.00 65.12 O HETATM 2612 O HOH 44 -18.834 -46.997 0.967 1.00 60.32 O HETATM 2613 O HOH 45 -13.738 -37.446 21.005 1.00 53.36 O HETATM 2614 O HOH 46 -14.516 -52.397 -1.327 1.00 58.85 O HETATM 2615 O HOH 47 11.583 -18.569 7.910 1.00 63.75 O HETATM 2616 O HOH 48 15.143 -53.626 20.726 1.00 65.52 O HETATM 2617 O HOH 49 14.212 -38.235 6.836 1.00 53.99 O HETATM 2618 O HOH 50 5.019 -54.290 12.073 1.00 30.00 O HETATM 2619 O HOH 51 -0.687 -57.874 9.419 1.00 30.00 O HETATM 2620 O HOH 52 6.563 -37.972 -4.400 1.00 38.37 O HETATM 2621 O HOH 53 4.612 -57.707 14.778 1.00 65.03 O HETATM 2622 O HOH 54 -3.414 -44.786 20.865 1.00 56.56 O HETATM 2623 O HOH 55 -0.313 -34.908 -6.845 1.00 61.87 O HETATM 2624 O HOH 56 5.425 -53.398 14.275 1.00 71.24 O HETATM 2625 O HOH 57 3.557 -26.051 -2.170 1.00 55.89 O HETATM 2626 O HOH 58 -0.602 -55.772 7.394 1.00 48.87 O HETATM 2627 O HOH 59 15.108 -33.522 5.803 1.00 55.63 O HETATM 2628 O HOH 60 21.394 -38.395 -1.686 1.00 64.93 O HETATM 2629 O HOH 61 9.930 -53.333 15.668 1.00 47.41 O HETATM 2630 O HOH 62 16.515 -37.052 2.495 1.00 49.11 O HETATM 2631 O HOH 63 -1.100 -53.476 19.667 1.00 54.99 O HETATM 2632 O HOH 64 8.267 -34.124 -3.882 1.00 48.63 O HETATM 2633 O HOH 65 3.308 -46.553 22.559 1.00 65.12 O HETATM 2634 O HOH 66 16.068 -51.788 0.967 1.00 60.32 O HETATM 2635 O HOH 67 5.248 -52.151 21.005 1.00 53.36 O HETATM 2636 O HOH 68 18.585 -45.349 -1.327 1.00 58.85 O HETATM 2637 P UNN A 69 14.238 -28.817 12.446 1.00 0.26 P HETATM 2638 O1P UNN A 69 14.848 -29.245 11.140 1.00 -0.62 O HETATM 2639 O2P UNN A 69 13.595 -27.405 12.187 1.00 -0.62 O HETATM 2640 O5' UNN A 69 13.168 -29.947 12.791 1.00 -0.25 O HETATM 2641 C5' UNN A 69 12.366 -29.782 13.938 1.00 0.11 C HETATM 2642 C4' UNN A 69 11.518 -31.056 14.076 1.00 0.12 C HETATM 2643 O4' UNN A 69 10.844 -31.171 12.927 1.00 -0.34 O HETATM 2644 C1' UNN A 69 10.763 -32.743 12.627 1.00 0.20 C HETATM 2645 C2' UNN A 69 11.472 -33.347 13.546 1.00 0.14 C HETATM 2646 C3' UNN A 69 12.417 -32.264 14.197 1.00 0.15 C HETATM 2647 O3' UNN A 69 12.681 -32.541 15.523 1.00 -0.25 O HETATM 2648 P1 UNN A 69 14.174 -33.066 15.858 1.00 0.26 P HETATM 2649 O1P1 UNN A 69 14.371 -34.384 15.123 1.00 -0.62 O HETATM 2650 O2P1 UNN A 69 14.456 -33.346 17.328 1.00 -0.62 O HETATM 2651 O5'1 UNN A 69 15.215 -31.977 15.105 1.00 -0.25 O HETATM 2652 C5'1 UNN A 69 15.624 -30.945 15.965 1.00 0.11 C HETATM 2653 C4'1 UNN A 69 16.673 -30.120 15.273 1.00 0.12 C HETATM 2654 O4'1 UNN A 69 17.819 -30.713 15.335 1.00 -0.34 O HETATM 2655 C1'1 UNN A 69 18.490 -30.621 13.957 1.00 0.20 C HETATM 2656 C2'1 UNN A 69 17.484 -29.741 13.115 1.00 0.14 C HETATM 2657 C3'1 UNN A 69 16.345 -29.888 13.654 1.00 0.15 C HETATM 2658 O3'1 UNN A 69 15.538 -28.667 13.488 1.00 -0.25 O HETATM 2659 H UNN A 69 15.815 -30.752 13.227 1.00 0.07 H HETATM 2660 O2'1 UNN A 69 17.948 -28.309 13.266 1.00 -0.38 O HETATM 2661 H UNN A 69 17.325 -27.729 12.844 1.00 0.21 H HETATM 2662 H UNN A 69 17.463 -30.041 12.057 1.00 0.07 H HETATM 2663 N91 UNN A 69 18.692 -31.830 13.458 1.00 -0.19 N HETATM 2664 C81 UNN A 69 17.839 -32.873 13.293 1.00 0.11 C HETATM 2665 N71 UNN A 69 18.547 -33.907 12.755 1.00 -0.30 N HETATM 2666 C51 UNN A 69 19.842 -33.496 12.598 1.00 0.10 C HETATM 2667 C61 UNN A 69 20.978 -34.152 12.098 1.00 0.13 C HETATM 2668 N61 UNN A 69 20.975 -35.515 11.613 1.00 -0.32 N HETATM 2669 H UNN A 69 21.845 -35.937 11.259 1.00 0.18 H HETATM 2670 H UNN A 69 20.103 -36.063 11.622 1.00 0.18 H HETATM 2671 N11 UNN A 69 22.175 -33.498 12.053 1.00 -0.27 N HETATM 2672 C21 UNN A 69 22.264 -32.207 12.497 1.00 0.05 C HETATM 2673 N31 UNN A 69 21.146 -31.564 12.985 1.00 -0.27 N HETATM 2674 C41 UNN A 69 19.935 -32.221 13.037 1.00 0.16 C HETATM 2675 H UNN A 69 23.215 -31.689 12.465 1.00 0.10 H HETATM 2676 H UNN A 69 16.780 -32.882 13.545 1.00 0.13 H HETATM 2677 H UNN A 69 19.460 -30.109 14.034 1.00 0.10 H HETATM 2678 H UNN A 69 16.734 -29.142 15.773 1.00 0.07 H HETATM 2679 H UNN A 69 16.042 -31.376 16.886 1.00 0.06 H HETATM 2680 H UNN A 69 14.761 -30.310 16.216 1.00 0.06 H HETATM 2681 H UNN A 69 13.359 -32.146 13.642 1.00 0.07 H HETATM 2682 O2' UNN A 69 10.586 -33.869 14.575 1.00 -0.38 O HETATM 2683 H UNN A 69 10.011 -34.523 14.195 1.00 0.21 H HETATM 2684 H UNN A 69 12.063 -34.162 13.103 1.00 0.07 H HETATM 2685 N9 UNN A 69 11.229 -33.064 11.319 1.00 -0.19 N HETATM 2686 C8 UNN A 69 12.116 -32.174 10.813 1.00 0.11 C HETATM 2687 N7 UNN A 69 12.490 -32.603 9.560 1.00 -0.30 N HETATM 2688 C5 UNN A 69 11.816 -33.774 9.318 1.00 0.10 C HETATM 2689 C6 UNN A 69 11.787 -34.680 8.225 1.00 0.13 C HETATM 2690 N6 UNN A 69 12.452 -34.703 6.969 1.00 -0.32 N HETATM 2691 H UNN A 69 12.280 -35.475 6.309 1.00 0.18 H HETATM 2692 H UNN A 69 13.106 -33.948 6.719 1.00 0.18 H HETATM 2693 N1 UNN A 69 11.016 -35.764 8.272 1.00 -0.27 N HETATM 2694 C2 UNN A 69 10.244 -36.022 9.363 1.00 0.05 C HETATM 2695 N3 UNN A 69 10.262 -35.150 10.444 1.00 -0.27 N HETATM 2696 C4 UNN A 69 11.045 -34.037 10.383 1.00 0.16 C HETATM 2697 H UNN A 69 9.617 -36.906 9.388 1.00 0.10 H HETATM 2698 H UNN A 69 12.472 -31.274 11.312 1.00 0.13 H HETATM 2699 H UNN A 69 9.716 -33.069 12.707 1.00 0.10 H HETATM 2700 H UNN A 69 10.839 -30.988 14.939 1.00 0.07 H HETATM 2701 H UNN A 69 11.714 -28.904 13.820 1.00 0.06 H HETATM 2702 H UNN A 69 13.000 -29.651 14.827 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 169 168 2569 CONECT 214 213 2569 CONECT 215 213 2569 CONECT 696 697 705 706 707 CONECT 705 696 CONECT 706 696 CONECT 707 696 CONECT 857 858 861 862 863 CONECT 861 857 CONECT 862 857 CONECT 863 857 CONECT 1552 1553 1561 1562 1563 CONECT 1561 1552 CONECT 1562 1552 CONECT 1563 1552 CONECT 1713 1714 1717 1718 1719 CONECT 1717 1713 CONECT 1718 1713 CONECT 1719 1713 CONECT 2408 2409 2417 2418 2419 CONECT 2417 2408 CONECT 2418 2408 CONECT 2419 2408 CONECT 2569 169 214 215 CONECT 2637 2638 2639 2640 2658 CONECT 2638 2637 CONECT 2639 2637 CONECT 2640 2637 2641 CONECT 2641 2640 2642 2701 2702 CONECT 2642 2641 2643 2646 2700 CONECT 2643 2642 2644 CONECT 2644 2643 2645 2685 2699 CONECT 2645 2644 2646 2682 2684 CONECT 2646 2642 2645 2647 2681 CONECT 2647 2646 2648 CONECT 2648 2647 2649 2650 2651 CONECT 2649 2648 CONECT 2650 2648 CONECT 2651 2648 2652 CONECT 2652 2651 2653 2679 2680 CONECT 2653 2652 2654 2657 2678 CONECT 2654 2653 2655 CONECT 2655 2654 2656 2663 2677 CONECT 2656 2655 2657 2660 2662 CONECT 2657 2653 2656 2658 2659 CONECT 2658 2637 2657 CONECT 2659 2657 CONECT 2660 2656 2661 CONECT 2661 2660 CONECT 2662 2656 CONECT 2663 2655 2664 2674 CONECT 2664 2663 2665 2676 CONECT 2665 2664 2666 CONECT 2666 2665 2667 2674 CONECT 2667 2666 2668 2671 CONECT 2668 2667 2669 2670 CONECT 2669 2668 CONECT 2670 2668 CONECT 2671 2667 2672 CONECT 2672 2671 2673 2675 CONECT 2673 2672 2674 CONECT 2674 2663 2666 2673 CONECT 2675 2672 CONECT 2676 2664 CONECT 2677 2655 CONECT 2678 2653 CONECT 2679 2652 CONECT 2680 2652 CONECT 2681 2646 CONECT 2682 2645 2683 CONECT 2683 2682 CONECT 2684 2645 CONECT 2685 2644 2686 2696 CONECT 2686 2685 2687 2698 CONECT 2687 2686 2688 CONECT 2688 2687 2689 2696 CONECT 2689 2688 2690 2693 CONECT 2690 2689 2691 2692 CONECT 2691 2690 CONECT 2692 2690 CONECT 2693 2689 2694 CONECT 2694 2693 2695 2697 CONECT 2695 2694 2696 CONECT 2696 2685 2688 2695 CONECT 2697 2694 CONECT 2698 2686 CONECT 2699 2644 CONECT 2700 2642 CONECT 2701 2641 CONECT 2702 2641 MASTER 0 0 0 0 0 0 0 0 2696 6 94 24 END
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Structure:
Ligand 2D
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Related entries of code: 4wk1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4d3h
RCSB PDB
PDBbind
128aa, >4D3H_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4d3h
RCSB PDB
PDBbind
2BA
4qsh
RCSB PDB
PDBbind
2BA
4qsk
RCSB PDB
PDBbind
2BA
4rww
RCSB PDB
PDBbind
2BA
4xtt
RCSB PDB
PDBbind
2BA
4yp1
RCSB PDB
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
4wk1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
PstA
Ligand Name
2BA
EC.Number
E.C.-.-.-.-
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Kd=1.3uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Febs Lett. Vol. 589: pp. 45-51
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):
A0A0H2WXZ7
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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