Browse entries in the PDBbind-CN Database
HEADER 4PMS_COMPLEX COMPND 4PMS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 33 CYS VAL HIS HIS ILE LYS ARG ARG ASP ILE VAL LEU LYS SEQRES 2 A 33 TRP GLU LEU GLY GLU GLY ALA PHE GLY LYS VAL PHE LEU SEQRES 3 A 33 ALA GLU CYS HIS ASN LEU LEU SEQRES 1 A 12 ASP LYS MET LEU VAL ALA VAL LYS ALA LEU LYS GLU SEQRES 1 A 132 SER ALA ARG GLN ASP PHE GLN ARG GLU ALA GLU LEU LEU SEQRES 2 A 132 THR MET LEU GLN HIS GLN HIS ILE VAL ARG PHE PHE GLY SEQRES 3 A 132 VAL CYS THR GLU GLY ARG PRO LEU LEU MET VAL PHE GLU SEQRES 4 A 132 TYR MET ARG HIS GLY ASP LEU ASN ARG PHE LEU ARG SER SEQRES 5 A 132 HIS GLY PRO ASP ALA LYS LEU LEU ALA GLY GLY GLU ASP SEQRES 6 A 132 VAL ALA PRO GLY PRO LEU GLY LEU GLY GLN LEU LEU ALA SEQRES 7 A 132 VAL ALA SER GLN VAL ALA ALA GLY MET VAL TYR LEU ALA SEQRES 8 A 132 GLY LEU HIS PHE VAL HIS ARG ASP LEU ALA THR ARG ASN SEQRES 9 A 132 CYS LEU VAL GLY GLN GLY LEU VAL VAL LYS ILE GLY ASP SEQRES 10 A 132 PHE GLY MET SER ARG ASP ILE TYR SER THR ASP TYR TYR SEQRES 11 A 132 ARG VAL SEQRES 1 A 106 ARG THR MET LEU PRO ILE ARG TRP MET PRO PRO GLU SER SEQRES 2 A 106 ILE LEU TYR ARG LYS PHE THR THR GLU SER ASP VAL TRP SEQRES 3 A 106 SER PHE GLY VAL VAL LEU TRP GLU ILE PHE THR TYR GLY SEQRES 4 A 106 LYS GLN PRO TRP TYR GLN LEU SER ASN THR GLU ALA ILE SEQRES 5 A 106 ASP CYS ILE THR GLN GLY ARG GLU LEU GLU ARG PRO ARG SEQRES 6 A 106 ALA CYS PRO PRO GLU VAL TYR ALA ILE MET ARG GLY CYS SEQRES 7 A 106 TRP GLN ARG GLU PRO GLN GLN ARG HIS SER ILE LYS ASP SEQRES 8 A 106 VAL HIS ALA ARG LEU GLN ALA LEU ALA GLN ALA HIS HIS SEQRES 9 A 106 HIS HIS HET UNN A 310 51 ATOM 1 N CYS A 501 50.176 -43.934 -12.271 1.00 68.95 N ATOM 2 CA CYS A 501 50.303 -43.420 -10.900 1.00 68.60 C ATOM 3 C CYS A 501 48.945 -43.362 -10.171 1.00 70.09 C ATOM 4 O CYS A 501 48.895 -43.199 -8.945 1.00 69.85 O ATOM 5 CB CYS A 501 51.008 -42.066 -10.889 1.00 69.93 C ATOM 6 SG CYS A 501 51.770 -41.645 -9.300 1.00 74.17 S ATOM 7 HN3 CYS A 501 49.543 -43.314 -12.815 1.00 0.00 H ATOM 8 HN2 CYS A 501 49.782 -44.896 -12.244 1.00 0.00 H ATOM 9 HN1 CYS A 501 51.114 -43.955 -12.720 1.00 0.00 H ATOM 10 N VAL A 502 47.855 -43.515 -10.949 1.00 63.26 N ATOM 11 CA VAL A 502 46.464 -43.507 -10.502 1.00 62.37 C ATOM 12 C VAL A 502 46.212 -44.763 -9.662 1.00 64.18 C ATOM 13 O VAL A 502 46.659 -45.847 -10.034 1.00 63.76 O ATOM 14 CB VAL A 502 45.473 -43.443 -11.703 1.00 66.14 C ATOM 15 CG1 VAL A 502 44.063 -43.107 -11.238 1.00 66.13 C ATOM 16 CG2 VAL A 502 45.931 -42.457 -12.776 1.00 65.98 C ATOM 17 H VAL A 502 48.020 -43.652 -11.967 1.00 0.00 H ATOM 18 N HIS A 503 45.504 -44.618 -8.535 1.00 57.55 N ATOM 19 CA HIS A 503 45.185 -45.748 -7.680 1.00 56.58 C ATOM 20 C HIS A 503 43.955 -46.475 -8.232 1.00 59.64 C ATOM 21 O HIS A 503 43.029 -45.826 -8.712 1.00 59.29 O ATOM 22 CB HIS A 503 44.980 -45.308 -6.229 1.00 56.45 C ATOM 23 CG HIS A 503 44.558 -46.431 -5.339 1.00 59.90 C ATOM 24 ND1 HIS A 503 45.471 -47.358 -4.868 1.00 61.57 N ATOM 25 CD2 HIS A 503 43.323 -46.767 -4.897 1.00 61.39 C ATOM 26 CE1 HIS A 503 44.769 -48.211 -4.142 1.00 60.69 C ATOM 27 NE2 HIS A 503 43.470 -47.898 -4.131 1.00 61.00 N ATOM 28 H HIS A 503 45.173 -43.670 -8.264 1.00 0.00 H ATOM 29 N HIS A 504 43.950 -47.822 -8.171 1.00 56.89 N ATOM 30 CA HIS A 504 42.841 -48.644 -8.659 1.00 56.26 C ATOM 31 C HIS A 504 42.085 -49.313 -7.513 1.00 60.64 C ATOM 32 O HIS A 504 42.689 -49.803 -6.554 1.00 61.22 O ATOM 33 CB HIS A 504 43.308 -49.650 -9.721 1.00 56.20 C ATOM 34 CG HIS A 504 43.703 -49.010 -11.019 1.00 59.43 C ATOM 35 ND1 HIS A 504 42.833 -48.973 -12.108 1.00 60.92 N ATOM 36 CD2 HIS A 504 44.855 -48.389 -11.361 1.00 61.33 C ATOM 37 CE1 HIS A 504 43.488 -48.342 -13.070 1.00 60.27 C ATOM 38 NE2 HIS A 504 44.704 -47.963 -12.667 1.00 60.78 N ATOM 39 H HIS A 504 44.775 -48.301 -7.757 1.00 0.00 H ATOM 40 N ILE A 505 40.755 -49.299 -7.613 1.00 57.82 N ATOM 41 CA ILE A 505 39.830 -49.843 -6.625 1.00 57.90 C ATOM 42 C ILE A 505 39.024 -50.990 -7.255 1.00 62.96 C ATOM 43 O ILE A 505 38.568 -50.866 -8.399 1.00 62.65 O ATOM 44 CB ILE A 505 38.935 -48.658 -6.131 1.00 60.54 C ATOM 45 CG1 ILE A 505 39.767 -47.626 -5.330 1.00 60.84 C ATOM 46 CG2 ILE A 505 37.700 -49.110 -5.335 1.00 61.06 C ATOM 47 CD1 ILE A 505 39.557 -46.231 -5.740 1.00 66.91 C ATOM 48 H ILE A 505 40.344 -48.865 -8.464 1.00 0.00 H ATOM 49 N LYS A 506 38.851 -52.103 -6.518 1.00 61.68 N ATOM 50 CA LYS A 506 38.072 -53.250 -7.016 1.00 61.92 C ATOM 51 C LYS A 506 36.568 -52.922 -6.972 1.00 66.52 C ATOM 52 O LYS A 506 36.077 -52.404 -5.963 1.00 66.38 O ATOM 53 CB LYS A 506 38.371 -54.538 -6.221 1.00 65.39 C ATOM 54 CG LYS A 506 39.704 -55.209 -6.563 1.00 72.08 C ATOM 55 CD LYS A 506 39.956 -56.432 -5.661 1.00 77.61 C ATOM 56 CE LYS A 506 41.412 -56.849 -5.595 1.00 78.79 C ATOM 57 NZ LYS A 506 41.654 -57.860 -4.527 1.00 79.41 N ATOM 58 HZ1 LYS A 506 41.388 -57.459 -3.605 1.00 0.00 H ATOM 59 HZ2 LYS A 506 41.081 -58.707 -4.717 1.00 0.00 H ATOM 60 HZ3 LYS A 506 42.662 -58.117 -4.517 1.00 0.00 H ATOM 61 H LYS A 506 39.279 -52.155 -5.571 1.00 0.00 H ATOM 62 N ARG A 507 35.847 -53.227 -8.062 1.00 60.91 N ATOM 63 CA ARG A 507 34.416 -52.983 -8.207 1.00 60.36 C ATOM 64 C ARG A 507 33.525 -53.620 -7.137 1.00 64.19 C ATOM 65 O ARG A 507 32.395 -53.182 -6.934 1.00 63.82 O ATOM 66 CB ARG A 507 33.971 -53.425 -9.583 1.00 61.10 C ATOM 67 CG ARG A 507 32.903 -52.528 -10.121 1.00 65.34 C ATOM 68 CD ARG A 507 32.590 -52.895 -11.529 1.00 67.70 C ATOM 69 NE ARG A 507 31.661 -51.933 -12.099 1.00 68.78 N ATOM 70 CZ ARG A 507 32.022 -50.911 -12.858 1.00 77.68 C ATOM 71 NH1 ARG A 507 33.305 -50.709 -13.149 1.00 58.42 N ATOM 72 NH2 ARG A 507 31.108 -50.082 -13.333 1.00 57.63 N ATOM 73 HE ARG A 507 30.648 -52.056 -11.897 1.00 0.00 H ATOM 74 HH12 ARG A 507 33.582 -49.904 -13.746 1.00 0.00 H ATOM 75 HH11 ARG A 507 34.030 -51.356 -12.779 1.00 0.00 H ATOM 76 HH22 ARG A 507 31.394 -49.279 -13.929 1.00 0.00 H ATOM 77 HH21 ARG A 507 30.103 -50.233 -13.110 1.00 0.00 H ATOM 78 H ARG A 507 36.344 -53.669 -8.861 1.00 0.00 H ATOM 79 N ARG A 508 34.036 -54.644 -6.460 1.00 61.79 N ATOM 80 CA ARG A 508 33.348 -55.371 -5.399 1.00 61.60 C ATOM 81 C ARG A 508 33.281 -54.514 -4.128 1.00 64.77 C ATOM 82 O ARG A 508 32.366 -54.689 -3.318 1.00 64.42 O ATOM 83 CB ARG A 508 34.089 -56.691 -5.140 1.00 65.28 C ATOM 84 CG ARG A 508 33.382 -57.670 -4.199 1.00 74.33 C ATOM 85 CD ARG A 508 34.136 -58.984 -4.034 1.00 80.64 C ATOM 86 NE ARG A 508 35.360 -58.839 -3.240 1.00 83.33 N ATOM 87 CZ ARG A 508 36.584 -58.707 -3.750 1.00 93.23 C ATOM 88 NH1 ARG A 508 36.766 -58.697 -5.069 1.00 68.94 N ATOM 89 NH2 ARG A 508 37.634 -58.581 -2.946 1.00 76.60 N ATOM 90 HE ARG A 508 35.266 -58.839 -2.204 1.00 0.00 H ATOM 91 HH12 ARG A 508 37.724 -58.594 -5.461 1.00 0.00 H ATOM 92 HH11 ARG A 508 35.950 -58.793 -5.707 1.00 0.00 H ATOM 93 HH22 ARG A 508 38.588 -58.478 -3.348 1.00 0.00 H ATOM 94 HH21 ARG A 508 37.502 -58.585 -1.914 1.00 0.00 H ATOM 95 H ARG A 508 34.999 -54.950 -6.706 1.00 0.00 H ATOM 96 N ASP A 509 34.257 -53.596 -3.954 1.00 60.12 N ATOM 97 CA ASP A 509 34.346 -52.689 -2.805 1.00 59.18 C ATOM 98 C ASP A 509 33.383 -51.482 -2.926 1.00 60.54 C ATOM 99 O ASP A 509 32.929 -50.944 -1.913 1.00 60.64 O ATOM 100 CB ASP A 509 35.794 -52.221 -2.604 1.00 60.49 C ATOM 101 CG ASP A 509 36.797 -53.315 -2.260 1.00 70.26 C ATOM 102 OD1 ASP A 509 36.373 -54.369 -1.727 1.00 70.95 O ATOM 103 OD2 ASP A 509 38.013 -53.110 -2.514 1.00 75.01 O ATOM 104 H ASP A 509 34.995 -53.528 -4.684 1.00 0.00 H ATOM 105 N ILE A 510 33.070 -51.069 -4.159 1.00 54.89 N ATOM 106 CA ILE A 510 32.171 -49.953 -4.408 1.00 53.82 C ATOM 107 C ILE A 510 30.738 -50.484 -4.340 1.00 56.75 C ATOM 108 O ILE A 510 30.362 -51.354 -5.133 1.00 57.39 O ATOM 109 CB ILE A 510 32.506 -49.221 -5.753 1.00 56.64 C ATOM 110 CG1 ILE A 510 33.950 -48.690 -5.767 1.00 57.25 C ATOM 111 CG2 ILE A 510 31.509 -48.090 -6.046 1.00 56.89 C ATOM 112 CD1 ILE A 510 34.543 -48.471 -7.190 1.00 64.34 C ATOM 113 H ILE A 510 33.486 -51.566 -4.972 1.00 0.00 H ATOM 114 N VAL A 511 29.946 -49.959 -3.388 1.00 51.19 N ATOM 115 CA VAL A 511 28.543 -50.338 -3.177 1.00 50.28 C ATOM 116 C VAL A 511 27.636 -49.107 -3.381 1.00 52.44 C ATOM 117 O VAL A 511 27.457 -48.302 -2.462 1.00 51.94 O ATOM 118 CB VAL A 511 28.317 -51.047 -1.803 1.00 53.90 C ATOM 119 CG1 VAL A 511 26.866 -51.501 -1.632 1.00 53.90 C ATOM 120 CG2 VAL A 511 29.275 -52.223 -1.620 1.00 53.90 C ATOM 121 H VAL A 511 30.354 -49.237 -2.760 1.00 0.00 H ATOM 122 N LEU A 512 27.075 -48.979 -4.591 1.00 45.73 N ATOM 123 CA LEU A 512 26.173 -47.902 -5.005 1.00 45.43 C ATOM 124 C LEU A 512 24.948 -47.835 -4.088 1.00 47.52 C ATOM 125 O LEU A 512 24.389 -48.871 -3.746 1.00 47.45 O ATOM 126 CB LEU A 512 25.729 -48.151 -6.454 1.00 45.16 C ATOM 127 CG LEU A 512 26.464 -47.450 -7.615 1.00 49.67 C ATOM 128 CD1 LEU A 512 27.979 -47.650 -7.559 1.00 53.15 C ATOM 129 CD2 LEU A 512 25.963 -47.976 -8.936 1.00 48.84 C ATOM 130 H LEU A 512 27.300 -49.708 -5.298 1.00 0.00 H ATOM 131 N LYS A 513 24.548 -46.618 -3.676 1.00 43.97 N ATOM 132 CA LYS A 513 23.418 -46.360 -2.771 1.00 43.02 C ATOM 133 C LYS A 513 22.308 -45.564 -3.457 1.00 47.41 C ATOM 134 O LYS A 513 21.138 -45.911 -3.315 1.00 46.84 O ATOM 135 CB LYS A 513 23.883 -45.663 -1.470 1.00 41.96 C ATOM 136 CG LYS A 513 24.896 -46.476 -0.691 1.00 41.26 C ATOM 137 CD LYS A 513 24.336 -46.984 0.598 1.00 43.38 C ATOM 138 CE LYS A 513 25.285 -47.937 1.256 1.00 47.71 C ATOM 139 NZ LYS A 513 25.180 -49.297 0.682 1.00 52.46 N ATOM 140 HZ1 LYS A 513 24.212 -49.654 0.814 1.00 0.00 H ATOM 141 HZ2 LYS A 513 25.402 -49.261 -0.333 1.00 0.00 H ATOM 142 HZ3 LYS A 513 25.852 -49.928 1.163 1.00 0.00 H ATOM 143 H LYS A 513 25.080 -45.795 -4.025 1.00 0.00 H ATOM 144 N TRP A 514 22.674 -44.485 -4.176 1.00 45.17 N ATOM 145 CA TRP A 514 21.733 -43.641 -4.915 1.00 45.30 C ATOM 146 C TRP A 514 22.418 -42.565 -5.749 1.00 47.78 C ATOM 147 O TRP A 514 23.461 -42.033 -5.373 1.00 46.97 O ATOM 148 CB TRP A 514 20.602 -43.034 -4.048 1.00 43.88 C ATOM 149 CG TRP A 514 20.978 -42.057 -2.971 1.00 47.59 C ATOM 150 CD1 TRP A 514 21.530 -40.816 -3.132 1.00 47.51 C ATOM 151 CD2 TRP A 514 20.670 -42.178 -1.584 1.00 44.34 C ATOM 152 NE1 TRP A 514 21.633 -40.180 -1.918 1.00 48.13 N ATOM 153 CE2 TRP A 514 21.110 -40.992 -0.948 1.00 49.54 C ATOM 154 CE3 TRP A 514 20.089 -43.190 -0.804 1.00 47.01 C ATOM 155 CZ2 TRP A 514 20.989 -40.793 0.434 1.00 48.57 C ATOM 156 CZ3 TRP A 514 19.945 -42.983 0.558 1.00 47.70 C ATOM 157 CH2 TRP A 514 20.394 -41.797 1.165 1.00 48.47 C ATOM 158 HE1 TRP A 514 22.041 -39.236 -1.762 1.00 0.00 H ATOM 159 H TRP A 514 23.684 -44.237 -4.208 1.00 0.00 H ATOM 160 N GLU A 515 21.813 -42.267 -6.891 1.00 42.39 N ATOM 161 CA GLU A 515 22.261 -41.255 -7.811 1.00 42.24 C ATOM 162 C GLU A 515 22.045 -39.889 -7.138 1.00 46.62 C ATOM 163 O GLU A 515 20.930 -39.560 -6.740 1.00 46.25 O ATOM 164 CB GLU A 515 21.466 -41.378 -9.111 1.00 43.41 C ATOM 165 CG GLU A 515 22.043 -40.599 -10.272 1.00 53.45 C ATOM 166 CD GLU A 515 20.965 -40.138 -11.232 1.00 72.09 C ATOM 167 OE1 GLU A 515 20.606 -40.922 -12.143 1.00 62.51 O ATOM 168 OE2 GLU A 515 20.465 -38.999 -11.063 1.00 58.83 O ATOM 169 H GLU A 515 20.956 -42.801 -7.139 1.00 0.00 H ATOM 170 N LEU A 516 23.137 -39.121 -6.973 1.00 44.61 N ATOM 171 CA LEU A 516 23.149 -37.775 -6.378 1.00 44.69 C ATOM 172 C LEU A 516 22.792 -36.737 -7.438 1.00 48.15 C ATOM 173 O LEU A 516 22.073 -35.786 -7.152 1.00 47.78 O ATOM 174 CB LEU A 516 24.521 -37.463 -5.774 1.00 44.20 C ATOM 175 CG LEU A 516 24.913 -38.279 -4.561 1.00 44.20 C ATOM 176 CD1 LEU A 516 26.425 -38.207 -4.320 1.00 44.20 C ATOM 177 CD2 LEU A 516 24.153 -37.813 -3.335 1.00 44.20 C ATOM 178 H LEU A 516 24.047 -39.510 -7.292 1.00 0.00 H ATOM 179 N GLY A 517 23.287 -36.950 -8.649 1.00 44.09 N ATOM 180 CA GLY A 517 23.047 -36.089 -9.794 1.00 44.50 C ATOM 181 C GLY A 517 23.597 -36.622 -11.099 1.00 49.18 C ATOM 182 O GLY A 517 24.112 -37.743 -11.182 1.00 47.91 O ATOM 183 H GLY A 517 23.886 -37.788 -8.788 1.00 0.00 H ATOM 184 N GLU A 518 23.481 -35.801 -12.127 1.00 49.64 N ATOM 185 CA GLU A 518 23.935 -36.135 -13.465 1.00 50.56 C ATOM 186 C GLU A 518 24.604 -34.927 -14.097 1.00 56.09 C ATOM 187 O GLU A 518 24.048 -33.831 -14.101 1.00 56.36 O ATOM 188 CB GLU A 518 22.745 -36.598 -14.324 1.00 51.76 C ATOM 189 CG GLU A 518 23.113 -37.571 -15.427 1.00 60.66 C ATOM 190 CD GLU A 518 22.042 -38.588 -15.788 1.00 81.45 C ATOM 191 OE1 GLU A 518 21.007 -38.642 -15.087 1.00 74.25 O ATOM 192 OE2 GLU A 518 22.238 -39.344 -16.766 1.00 71.06 O ATOM 193 H GLU A 518 23.043 -34.871 -11.971 1.00 0.00 H ATOM 194 N GLY A 519 25.813 -35.143 -14.586 1.00 55.90 N ATOM 195 CA GLY A 519 26.593 -34.162 -15.322 1.00 56.55 C ATOM 196 C GLY A 519 26.361 -34.519 -16.777 1.00 61.79 C ATOM 197 O GLY A 519 25.581 -35.444 -17.061 1.00 61.49 O ATOM 198 H GLY A 519 26.236 -36.081 -14.433 1.00 0.00 H ATOM 199 N ALA A 520 27.009 -33.820 -17.718 1.00 58.66 N ATOM 200 CA ALA A 520 26.811 -34.170 -19.131 1.00 58.91 C ATOM 201 C ALA A 520 27.642 -35.420 -19.460 1.00 63.35 C ATOM 202 O ALA A 520 27.148 -36.333 -20.129 1.00 62.43 O ATOM 203 CB ALA A 520 27.209 -33.011 -20.035 1.00 59.20 C ATOM 204 H ALA A 520 27.644 -33.040 -17.452 1.00 0.00 H ATOM 205 N PHE A 521 28.885 -35.468 -18.941 1.00 59.84 N ATOM 206 CA PHE A 521 29.829 -36.556 -19.178 1.00 59.95 C ATOM 207 C PHE A 521 29.607 -37.797 -18.297 1.00 61.07 C ATOM 208 O PHE A 521 30.098 -38.863 -18.654 1.00 60.51 O ATOM 209 CB PHE A 521 31.290 -36.057 -19.069 1.00 62.83 C ATOM 210 CG PHE A 521 31.799 -34.996 -20.040 1.00 64.89 C ATOM 211 CD1 PHE A 521 33.163 -34.751 -20.174 1.00 68.38 C ATOM 212 CD2 PHE A 521 30.916 -34.228 -20.797 1.00 67.40 C ATOM 213 CE1 PHE A 521 33.636 -33.763 -21.047 1.00 69.73 C ATOM 214 CE2 PHE A 521 31.388 -33.247 -21.674 1.00 70.99 C ATOM 215 CZ PHE A 521 32.747 -33.019 -21.791 1.00 68.93 C ATOM 216 H PHE A 521 29.191 -34.681 -18.334 1.00 0.00 H ATOM 217 N GLY A 522 28.878 -37.666 -17.188 1.00 55.43 N ATOM 218 CA GLY A 522 28.617 -38.790 -16.293 1.00 54.17 C ATOM 219 C GLY A 522 27.531 -38.645 -15.233 1.00 54.90 C ATOM 220 O GLY A 522 26.855 -37.618 -15.152 1.00 54.69 O ATOM 221 H GLY A 522 28.483 -36.733 -16.953 1.00 0.00 H ATOM 222 N LYS A 523 27.351 -39.705 -14.420 1.00 48.57 N ATOM 223 CA LYS A 523 26.382 -39.772 -13.326 1.00 47.12 C ATOM 224 C LYS A 523 27.129 -39.863 -12.024 1.00 47.97 C ATOM 225 O LYS A 523 28.153 -40.553 -11.950 1.00 47.69 O ATOM 226 CB LYS A 523 25.521 -41.029 -13.436 1.00 51.47 C ATOM 227 CG LYS A 523 24.312 -40.877 -14.319 1.00 51.47 C ATOM 228 CD LYS A 523 23.213 -41.755 -13.789 1.00 51.47 C ATOM 229 CE LYS A 523 22.158 -42.083 -14.804 1.00 51.47 C ATOM 230 NZ LYS A 523 21.491 -43.353 -14.433 1.00 51.47 N ATOM 231 HZ1 LYS A 523 22.195 -44.118 -14.405 1.00 0.00 H ATOM 232 HZ2 LYS A 523 21.051 -43.251 -13.496 1.00 0.00 H ATOM 233 HZ3 LYS A 523 20.760 -43.578 -15.138 1.00 0.00 H ATOM 234 H LYS A 523 27.948 -40.541 -14.583 1.00 0.00 H ATOM 235 N VAL A 524 26.620 -39.191 -10.983 1.00 41.18 N ATOM 236 CA VAL A 524 27.271 -39.252 -9.682 1.00 40.30 C ATOM 237 C VAL A 524 26.409 -40.032 -8.721 1.00 42.74 C ATOM 238 O VAL A 524 25.203 -39.830 -8.663 1.00 42.13 O ATOM 239 CB VAL A 524 27.716 -37.880 -9.124 1.00 43.31 C ATOM 240 CG1 VAL A 524 28.798 -38.048 -8.053 1.00 42.81 C ATOM 241 CG2 VAL A 524 28.227 -36.987 -10.250 1.00 43.41 C ATOM 242 H VAL A 524 25.757 -38.624 -11.104 1.00 0.00 H ATOM 243 N PHE A 525 27.032 -40.938 -7.979 1.00 39.80 N ATOM 244 CA PHE A 525 26.350 -41.769 -6.995 1.00 39.62 C ATOM 245 C PHE A 525 26.965 -41.635 -5.621 1.00 42.61 C ATOM 246 O PHE A 525 28.168 -41.387 -5.485 1.00 41.30 O ATOM 247 CB PHE A 525 26.410 -43.268 -7.399 1.00 41.62 C ATOM 248 CG PHE A 525 25.822 -43.563 -8.749 1.00 43.12 C ATOM 249 CD1 PHE A 525 24.456 -43.737 -8.904 1.00 46.30 C ATOM 250 CD2 PHE A 525 26.633 -43.651 -9.870 1.00 44.78 C ATOM 251 CE1 PHE A 525 23.905 -43.981 -10.161 1.00 46.94 C ATOM 252 CE2 PHE A 525 26.084 -43.902 -11.131 1.00 47.45 C ATOM 253 CZ PHE A 525 24.721 -44.066 -11.267 1.00 45.52 C ATOM 254 H PHE A 525 28.057 -41.061 -8.106 1.00 0.00 H ATOM 255 N LEU A 526 26.123 -41.822 -4.599 1.00 39.62 N ATOM 256 CA LEU A 526 26.550 -41.876 -3.216 1.00 39.78 C ATOM 257 C LEU A 526 26.839 -43.354 -3.139 1.00 44.48 C ATOM 258 O LEU A 526 26.069 -44.160 -3.657 1.00 44.08 O ATOM 259 CB LEU A 526 25.435 -41.491 -2.232 1.00 39.08 C ATOM 260 CG LEU A 526 25.742 -41.659 -0.723 1.00 43.64 C ATOM 261 CD1 LEU A 526 27.002 -40.926 -0.298 1.00 43.51 C ATOM 262 CD2 LEU A 526 24.609 -41.149 0.118 1.00 45.91 C ATOM 263 H LEU A 526 25.110 -41.934 -4.808 1.00 0.00 H ATOM 264 N ALA A 527 27.962 -43.712 -2.570 1.00 44.91 N ATOM 265 CA ALA A 527 28.337 -45.110 -2.480 1.00 45.65 C ATOM 266 C ALA A 527 29.024 -45.439 -1.150 1.00 50.87 C ATOM 267 O ALA A 527 29.407 -44.543 -0.410 1.00 49.35 O ATOM 268 CB ALA A 527 29.241 -45.471 -3.657 1.00 46.30 C ATOM 269 H ALA A 527 28.593 -42.985 -2.177 1.00 0.00 H ATOM 270 N GLU A 528 29.168 -46.736 -0.871 1.00 53.41 N ATOM 271 CA GLU A 528 29.828 -47.313 0.301 1.00 54.90 C ATOM 272 C GLU A 528 31.135 -47.865 -0.268 1.00 60.28 C ATOM 273 O GLU A 528 31.107 -48.456 -1.347 1.00 59.73 O ATOM 274 CB GLU A 528 28.947 -48.471 0.846 1.00 58.54 C ATOM 275 CG GLU A 528 29.081 -48.833 2.325 1.00 58.54 C ATOM 276 CD GLU A 528 28.197 -49.979 2.819 1.00 58.54 C ATOM 277 OE1 GLU A 528 27.323 -50.453 2.050 1.00 58.54 O ATOM 278 OE2 GLU A 528 28.383 -50.409 3.985 1.00 58.54 O ATOM 279 H GLU A 528 28.770 -47.407 -1.558 1.00 0.00 H ATOM 280 N CYS A 529 32.265 -47.666 0.406 1.00 54.06 N ATOM 281 CA CYS A 529 33.534 -48.191 -0.103 1.00 54.97 C ATOM 282 C CYS A 529 34.328 -48.882 0.987 1.00 62.72 C ATOM 283 O CYS A 529 34.587 -48.294 2.043 1.00 62.44 O ATOM 284 CB CYS A 529 34.359 -47.119 -0.815 1.00 54.68 C ATOM 285 SG CYS A 529 35.563 -47.771 -2.013 1.00 58.63 S ATOM 286 H CYS A 529 32.247 -47.134 1.300 1.00 0.00 H ATOM 287 N HIS A 530 34.704 -50.146 0.729 1.00 61.21 N ATOM 288 CA HIS A 530 35.481 -50.978 1.648 1.00 61.98 C ATOM 289 C HIS A 530 36.948 -50.914 1.236 1.00 67.41 C ATOM 290 O HIS A 530 37.242 -50.944 0.036 1.00 67.11 O ATOM 291 CB HIS A 530 34.964 -52.427 1.642 1.00 62.74 C ATOM 292 CG HIS A 530 33.495 -52.535 1.913 1.00 66.31 C ATOM 293 ND1 HIS A 530 32.564 -52.525 0.880 1.00 68.02 N ATOM 294 CD2 HIS A 530 32.836 -52.625 3.092 1.00 68.16 C ATOM 295 CE1 HIS A 530 31.379 -52.616 1.462 1.00 67.42 C ATOM 296 NE2 HIS A 530 31.489 -52.681 2.791 1.00 67.83 N ATOM 297 H HIS A 530 34.424 -50.560 -0.183 1.00 0.00 H ATOM 298 N ASN A 531 37.864 -50.797 2.230 1.00 65.32 N ATOM 299 CA ASN A 531 39.323 -50.728 2.049 1.00 65.79 C ATOM 300 C ASN A 531 39.834 -49.490 1.275 1.00 71.75 C ATOM 301 O ASN A 531 40.069 -49.532 0.065 1.00 71.21 O ATOM 302 CB ASN A 531 39.897 -52.013 1.429 1.00 69.03 C ATOM 303 CG ASN A 531 39.670 -53.245 2.260 1.00 86.98 C ATOM 304 OD1 ASN A 531 40.499 -53.612 3.103 1.00 79.02 O ATOM 305 ND2 ASN A 531 38.543 -53.909 2.036 1.00 75.58 N ATOM 306 HD22 ASN A 531 37.872 -53.567 1.318 1.00 0.00 H ATOM 307 HD21 ASN A 531 38.331 -54.771 2.578 1.00 0.00 H ATOM 308 H ASN A 531 37.504 -50.752 3.205 1.00 0.00 H ATOM 309 N LEU A 532 40.001 -48.398 2.016 1.00 68.10 N ATOM 310 CA LEU A 532 40.564 -47.087 1.683 1.00 68.98 C ATOM 311 C LEU A 532 41.204 -46.728 3.057 1.00 75.44 C ATOM 312 O LEU A 532 40.984 -45.664 3.652 1.00 74.69 O ATOM 313 CB LEU A 532 39.482 -46.075 1.238 1.00 68.44 C ATOM 314 CG LEU A 532 38.725 -46.308 -0.092 1.00 68.44 C ATOM 315 CD1 LEU A 532 37.762 -45.182 -0.350 1.00 68.44 C ATOM 316 CD2 LEU A 532 39.659 -46.370 -1.290 1.00 68.44 C ATOM 317 H LEU A 532 39.677 -48.491 3.000 1.00 0.00 H ATOM 318 N LEU A 533 41.973 -47.729 3.551 1.00 72.57 N ATOM 319 CA LEU A 533 42.726 -47.914 4.800 1.00 73.26 C ATOM 320 C LEU A 533 43.496 -46.684 5.300 1.00 77.58 C ATOM 321 O LEU A 533 43.863 -46.628 6.474 1.00 77.40 O ATOM 322 CB LEU A 533 43.686 -49.120 4.626 1.00 73.16 C ATOM 323 CG LEU A 533 43.166 -50.300 3.759 1.00 73.16 C ATOM 324 CD1 LEU A 533 43.964 -50.436 2.460 1.00 73.16 C ATOM 325 CD2 LEU A 533 43.109 -51.613 4.549 1.00 73.16 C ATOM 326 H LEU A 533 42.046 -48.542 2.907 1.00 0.00 H TER 327 LEU A 533 ATOM 328 N ASP A 537 34.896 -51.112 8.032 1.00 71.17 N ATOM 329 CA ASP A 537 35.553 -50.193 7.098 1.00 70.71 C ATOM 330 C ASP A 537 34.600 -49.675 5.973 1.00 72.19 C ATOM 331 O ASP A 537 34.990 -49.592 4.798 1.00 72.00 O ATOM 332 CB ASP A 537 36.834 -50.837 6.532 1.00 72.68 C ATOM 333 HN3 ASP A 537 34.544 -51.940 7.511 1.00 0.00 H ATOM 334 HN2 ASP A 537 34.100 -50.626 8.492 1.00 0.00 H ATOM 335 HN1 ASP A 537 35.580 -51.419 8.753 1.00 0.00 H ATOM 336 N LYS A 538 33.347 -49.322 6.357 1.00 66.13 N ATOM 337 CA LYS A 538 32.305 -48.810 5.454 1.00 64.86 C ATOM 338 C LYS A 538 32.317 -47.257 5.380 1.00 65.52 C ATOM 339 O LYS A 538 31.592 -46.574 6.115 1.00 65.85 O ATOM 340 CB LYS A 538 30.916 -49.376 5.830 1.00 67.17 C ATOM 341 H LYS A 538 33.106 -49.421 7.364 1.00 0.00 H ATOM 342 N MET A 539 33.163 -46.723 4.483 1.00 56.21 N ATOM 343 CA MET A 539 33.385 -45.301 4.215 1.00 54.06 C ATOM 344 C MET A 539 32.445 -44.783 3.115 1.00 52.22 C ATOM 345 O MET A 539 32.280 -45.467 2.108 1.00 50.81 O ATOM 346 CB MET A 539 34.842 -45.157 3.763 1.00 56.24 C ATOM 347 CG MET A 539 35.320 -43.765 3.615 1.00 56.24 C ATOM 348 SD MET A 539 37.064 -43.742 3.104 1.00 56.24 S ATOM 349 CE MET A 539 37.453 -41.962 3.360 1.00 56.24 C ATOM 350 H MET A 539 33.721 -47.393 3.917 1.00 0.00 H ATOM 351 N LEU A 540 31.831 -43.588 3.289 1.00 46.46 N ATOM 352 CA LEU A 540 30.971 -43.038 2.225 1.00 44.59 C ATOM 353 C LEU A 540 31.848 -42.339 1.185 1.00 44.09 C ATOM 354 O LEU A 540 32.826 -41.668 1.539 1.00 44.14 O ATOM 355 CB LEU A 540 29.895 -42.060 2.720 1.00 44.55 C ATOM 356 CG LEU A 540 28.610 -42.615 3.377 1.00 49.30 C ATOM 357 CD1 LEU A 540 27.652 -41.482 3.739 1.00 49.45 C ATOM 358 CD2 LEU A 540 27.873 -43.614 2.483 1.00 50.65 C ATOM 359 H LEU A 540 31.966 -43.058 4.174 1.00 0.00 H ATOM 360 N VAL A 541 31.516 -42.519 -0.100 1.00 39.37 N ATOM 361 CA VAL A 541 32.238 -41.917 -1.240 1.00 37.98 C ATOM 362 C VAL A 541 31.272 -41.337 -2.302 1.00 39.10 C ATOM 363 O VAL A 541 30.076 -41.608 -2.292 1.00 37.64 O ATOM 364 CB VAL A 541 33.257 -42.885 -1.901 1.00 40.84 C ATOM 365 CG1 VAL A 541 34.374 -43.287 -0.941 1.00 40.53 C ATOM 366 CG2 VAL A 541 32.567 -44.107 -2.498 1.00 40.72 C ATOM 367 H VAL A 541 30.695 -43.123 -0.309 1.00 0.00 H ATOM 368 N ALA A 542 31.814 -40.557 -3.221 1.00 37.70 N ATOM 369 CA ALA A 542 31.087 -39.972 -4.339 1.00 37.44 C ATOM 370 C ALA A 542 31.705 -40.641 -5.568 1.00 40.75 C ATOM 371 O ALA A 542 32.894 -40.460 -5.827 1.00 40.21 O ATOM 372 CB ALA A 542 31.314 -38.469 -4.377 1.00 38.11 C ATOM 373 H ALA A 542 32.829 -40.347 -3.140 1.00 0.00 H ATOM 374 N VAL A 543 30.932 -41.459 -6.277 1.00 35.10 N ATOM 375 CA VAL A 543 31.429 -42.159 -7.450 1.00 35.30 C ATOM 376 C VAL A 543 30.891 -41.555 -8.739 1.00 40.83 C ATOM 377 O VAL A 543 29.676 -41.538 -8.930 1.00 41.16 O ATOM 378 CB VAL A 543 31.163 -43.690 -7.351 1.00 38.86 C ATOM 379 CG1 VAL A 543 31.331 -44.396 -8.704 1.00 38.86 C ATOM 380 CG2 VAL A 543 32.067 -44.324 -6.308 1.00 38.86 C ATOM 381 H VAL A 543 29.944 -41.602 -5.984 1.00 0.00 H ATOM 382 N LYS A 544 31.794 -41.067 -9.626 1.00 38.98 N ATOM 383 CA LYS A 544 31.420 -40.528 -10.944 1.00 39.03 C ATOM 384 C LYS A 544 31.531 -41.681 -11.947 1.00 44.62 C ATOM 385 O LYS A 544 32.588 -42.295 -12.047 1.00 42.38 O ATOM 386 CB LYS A 544 32.317 -39.343 -11.362 1.00 40.88 C ATOM 387 CG LYS A 544 31.839 -38.612 -12.632 1.00 45.82 C ATOM 388 CD LYS A 544 32.760 -37.445 -12.996 1.00 53.18 C ATOM 389 CE LYS A 544 32.270 -36.574 -14.137 1.00 57.92 C ATOM 390 NZ LYS A 544 31.050 -35.771 -13.799 1.00 62.44 N ATOM 391 HZ1 LYS A 544 30.273 -36.414 -13.543 1.00 0.00 H ATOM 392 HZ2 LYS A 544 31.261 -35.143 -12.997 1.00 0.00 H ATOM 393 HZ3 LYS A 544 30.772 -35.201 -14.623 1.00 0.00 H ATOM 394 H LYS A 544 32.800 -41.074 -9.362 1.00 0.00 H ATOM 395 N ALA A 545 30.431 -41.991 -12.652 1.00 45.96 N ATOM 396 CA ALA A 545 30.375 -43.068 -13.648 1.00 47.20 C ATOM 397 C ALA A 545 30.357 -42.455 -15.039 1.00 54.42 C ATOM 398 O ALA A 545 29.427 -41.719 -15.363 1.00 53.19 O ATOM 399 CB ALA A 545 29.147 -43.944 -13.428 1.00 47.42 C ATOM 400 H ALA A 545 29.568 -41.436 -12.482 1.00 0.00 H ATOM 401 N LEU A 546 31.398 -42.733 -15.849 1.00 56.94 N ATOM 402 CA LEU A 546 31.557 -42.208 -17.212 1.00 58.07 C ATOM 403 C LEU A 546 30.551 -42.788 -18.215 1.00 63.05 C ATOM 404 O LEU A 546 30.425 -44.005 -18.335 1.00 62.93 O ATOM 405 CB LEU A 546 33.024 -42.398 -17.695 1.00 59.15 C ATOM 406 CG LEU A 546 33.337 -42.320 -19.219 1.00 59.15 C ATOM 407 CD1 LEU A 546 33.091 -40.910 -19.801 1.00 59.15 C ATOM 408 CD2 LEU A 546 34.766 -42.682 -19.486 1.00 59.15 C ATOM 409 H LEU A 546 32.140 -43.363 -15.484 1.00 0.00 H ATOM 410 N LYS A 547 29.870 -41.895 -18.954 1.00 63.41 N ATOM 411 CA LYS A 547 28.877 -42.235 -19.981 1.00 63.54 C ATOM 412 C LYS A 547 29.493 -42.778 -21.285 1.00 68.23 C ATOM 413 O LYS A 547 28.956 -43.735 -21.851 1.00 68.13 O ATOM 414 CB LYS A 547 27.943 -41.053 -20.275 1.00 65.29 C ATOM 415 CG LYS A 547 26.893 -40.827 -19.184 1.00 73.40 C ATOM 416 CD LYS A 547 25.973 -39.647 -19.512 1.00 74.81 C ATOM 417 CE LYS A 547 25.031 -39.306 -18.382 1.00 71.47 C ATOM 418 NZ LYS A 547 24.442 -37.947 -18.542 1.00 72.58 N ATOM 419 HZ1 LYS A 547 25.204 -37.240 -18.557 1.00 0.00 H ATOM 420 HZ2 LYS A 547 23.910 -37.904 -19.435 1.00 0.00 H ATOM 421 HZ3 LYS A 547 23.802 -37.752 -17.746 1.00 0.00 H ATOM 422 H LYS A 547 30.061 -40.887 -18.786 1.00 0.00 H ATOM 423 N GLU A 548 30.607 -42.187 -21.761 1.00 65.95 N ATOM 424 CA GLU A 548 31.245 -42.631 -23.004 1.00 78.10 C ATOM 425 C GLU A 548 32.507 -43.452 -22.776 1.00 98.11 C ATOM 426 O GLU A 548 32.823 -44.323 -23.587 1.00 65.33 O ATOM 427 CB GLU A 548 31.514 -41.444 -23.942 1.00 79.82 C ATOM 428 CG GLU A 548 30.263 -40.774 -24.489 1.00 79.82 C ATOM 429 CD GLU A 548 29.445 -41.598 -25.465 1.00 79.82 C ATOM 430 OE1 GLU A 548 30.014 -42.046 -26.489 1.00 79.82 O ATOM 431 OE2 GLU A 548 28.233 -41.792 -25.208 1.00 79.82 O ATOM 432 H GLU A 548 31.025 -41.395 -21.232 1.00 0.00 H TER 433 GLU A 548 ATOM 434 N SER A 552 38.474 -43.188 -27.052 1.00 83.96 N ATOM 435 CA SER A 552 37.901 -41.866 -27.313 1.00 83.69 C ATOM 436 C SER A 552 37.824 -41.027 -26.018 1.00 87.52 C ATOM 437 O SER A 552 38.637 -40.117 -25.825 1.00 86.29 O ATOM 438 CB SER A 552 36.530 -41.994 -27.980 1.00 87.24 C ATOM 439 OG SER A 552 35.612 -42.736 -27.189 1.00 97.42 O ATOM 440 HG SER A 552 34.743 -42.792 -27.660 1.00 0.00 H ATOM 441 HN3 SER A 552 37.880 -43.692 -26.363 1.00 0.00 H ATOM 442 HN2 SER A 552 39.434 -43.079 -26.668 1.00 0.00 H ATOM 443 HN1 SER A 552 38.513 -43.729 -27.939 1.00 0.00 H ATOM 444 N ALA A 553 36.848 -41.350 -25.138 1.00 84.72 N ATOM 445 CA ALA A 553 36.616 -40.712 -23.841 1.00 84.28 C ATOM 446 C ALA A 553 37.519 -41.381 -22.806 1.00 87.04 C ATOM 447 O ALA A 553 37.774 -40.800 -21.750 1.00 86.78 O ATOM 448 CB ALA A 553 35.156 -40.860 -23.439 1.00 85.02 C ATOM 449 H ALA A 553 36.205 -42.121 -25.408 1.00 0.00 H ATOM 450 N ARG A 554 38.006 -42.607 -23.136 1.00 83.17 N ATOM 451 CA ARG A 554 38.930 -43.446 -22.361 1.00 82.54 C ATOM 452 C ARG A 554 40.295 -42.706 -22.280 1.00 85.28 C ATOM 453 O ARG A 554 41.104 -42.965 -21.377 1.00 84.58 O ATOM 454 CB ARG A 554 39.045 -44.844 -23.031 1.00 84.33 C ATOM 455 CG ARG A 554 39.963 -45.880 -22.353 1.00 84.33 C ATOM 456 CD ARG A 554 39.356 -46.556 -21.133 1.00 84.33 C ATOM 457 NE ARG A 554 40.335 -47.347 -20.379 1.00 84.33 N ATOM 458 CZ ARG A 554 41.142 -46.864 -19.432 1.00 84.33 C ATOM 459 NH1 ARG A 554 41.110 -45.573 -19.115 1.00 84.33 N ATOM 460 NH2 ARG A 554 41.993 -47.667 -18.803 1.00 84.33 N ATOM 461 HE ARG A 554 40.405 -48.361 -20.599 1.00 0.00 H ATOM 462 HH12 ARG A 554 41.742 -45.203 -18.376 1.00 0.00 H ATOM 463 HH11 ARG A 554 40.453 -44.933 -19.606 1.00 0.00 H ATOM 464 HH22 ARG A 554 42.620 -47.286 -18.066 1.00 0.00 H ATOM 465 HH21 ARG A 554 42.033 -48.677 -19.048 1.00 0.00 H ATOM 466 H ARG A 554 37.686 -42.997 -24.045 1.00 0.00 H ATOM 467 N GLN A 555 40.514 -41.759 -23.227 1.00 82.01 N ATOM 468 CA GLN A 555 41.692 -40.901 -23.307 1.00 81.17 C ATOM 469 C GLN A 555 41.540 -39.766 -22.250 1.00 82.53 C ATOM 470 O GLN A 555 42.436 -39.578 -21.420 1.00 81.85 O ATOM 471 CB GLN A 555 41.841 -40.338 -24.731 1.00 82.26 C ATOM 472 H GLN A 555 39.782 -41.634 -23.956 1.00 0.00 H ATOM 473 N ASP A 556 40.383 -39.056 -22.265 1.00 78.16 N ATOM 474 CA ASP A 556 40.016 -37.966 -21.345 1.00 77.07 C ATOM 475 C ASP A 556 39.961 -38.443 -19.870 1.00 77.89 C ATOM 476 O ASP A 556 40.420 -37.733 -18.972 1.00 77.31 O ATOM 477 CB ASP A 556 38.655 -37.352 -21.748 1.00 79.44 C ATOM 478 CG ASP A 556 38.546 -36.796 -23.166 1.00 79.44 C ATOM 479 OD1 ASP A 556 37.802 -35.811 -23.360 1.00 79.44 O ATOM 480 OD2 ASP A 556 39.189 -37.359 -24.084 1.00 79.44 O ATOM 481 H ASP A 556 39.688 -39.306 -22.997 1.00 0.00 H ATOM 482 N PHE A 557 39.398 -39.648 -19.642 1.00 72.26 N ATOM 483 CA PHE A 557 39.262 -40.310 -18.343 1.00 71.62 C ATOM 484 C PHE A 557 40.632 -40.558 -17.705 1.00 74.05 C ATOM 485 O PHE A 557 40.785 -40.399 -16.495 1.00 73.37 O ATOM 486 CB PHE A 557 38.525 -41.648 -18.512 1.00 72.63 C ATOM 487 CG PHE A 557 38.266 -42.371 -17.214 1.00 72.63 C ATOM 488 CD1 PHE A 557 37.109 -42.125 -16.483 1.00 72.63 C ATOM 489 CD2 PHE A 557 39.180 -43.292 -16.719 1.00 72.63 C ATOM 490 CE1 PHE A 557 36.871 -42.787 -15.284 1.00 72.63 C ATOM 491 CE2 PHE A 557 38.945 -43.947 -15.514 1.00 72.63 C ATOM 492 CZ PHE A 557 37.786 -43.700 -14.813 1.00 72.63 C ATOM 493 H PHE A 557 39.024 -40.156 -20.469 1.00 0.00 H ATOM 494 N GLN A 558 41.611 -40.977 -18.520 1.00 70.46 N ATOM 495 CA GLN A 558 42.976 -41.250 -18.092 1.00 70.03 C ATOM 496 C GLN A 558 43.658 -39.923 -17.714 1.00 73.01 C ATOM 497 O GLN A 558 44.239 -39.821 -16.628 1.00 72.50 O ATOM 498 CB GLN A 558 43.734 -41.985 -19.219 1.00 71.29 C ATOM 499 CG GLN A 558 45.179 -42.362 -18.891 1.00 79.66 C ATOM 500 CD GLN A 558 45.304 -43.428 -17.837 1.00 89.43 C ATOM 501 OE1 GLN A 558 44.425 -44.284 -17.670 1.00 83.08 O ATOM 502 NE2 GLN A 558 46.411 -43.401 -17.106 1.00 76.05 N ATOM 503 HE22 GLN A 558 47.128 -42.667 -17.275 1.00 0.00 H ATOM 504 HE21 GLN A 558 46.562 -44.114 -16.364 1.00 0.00 H ATOM 505 H GLN A 558 41.380 -41.116 -19.524 1.00 0.00 H ATOM 506 N ARG A 559 43.566 -38.911 -18.611 1.00 67.93 N ATOM 507 CA ARG A 559 44.147 -37.576 -18.434 1.00 67.40 C ATOM 508 C ARG A 559 43.644 -36.934 -17.146 1.00 69.09 C ATOM 509 O ARG A 559 44.458 -36.427 -16.363 1.00 68.61 O ATOM 510 CB ARG A 559 43.818 -36.681 -19.642 1.00 68.53 C ATOM 511 H ARG A 559 43.044 -39.095 -19.491 1.00 0.00 H ATOM 512 N GLU A 560 42.299 -36.976 -16.928 1.00 62.34 N ATOM 513 CA GLU A 560 41.660 -36.425 -15.740 1.00 61.02 C ATOM 514 C GLU A 560 42.120 -37.181 -14.515 1.00 61.48 C ATOM 515 O GLU A 560 42.534 -36.533 -13.562 1.00 60.76 O ATOM 516 CB GLU A 560 40.121 -36.387 -15.840 1.00 62.51 C ATOM 517 CG GLU A 560 39.495 -35.425 -14.824 1.00 72.28 C ATOM 518 CD GLU A 560 37.981 -35.314 -14.695 1.00 89.74 C ATOM 519 OE1 GLU A 560 37.258 -35.810 -15.591 1.00 84.27 O ATOM 520 OE2 GLU A 560 37.519 -34.716 -13.693 1.00 71.50 O ATOM 521 H GLU A 560 41.697 -37.425 -17.648 1.00 0.00 H ATOM 522 N ALA A 561 42.097 -38.532 -14.543 1.00 55.02 N ATOM 523 CA ALA A 561 42.526 -39.357 -13.411 1.00 53.94 C ATOM 524 C ALA A 561 43.956 -39.068 -13.001 1.00 55.66 C ATOM 525 O ALA A 561 44.235 -39.048 -11.804 1.00 55.14 O ATOM 526 CB ALA A 561 42.362 -40.828 -13.713 1.00 54.34 C ATOM 527 H ALA A 561 41.760 -39.006 -15.405 1.00 0.00 H ATOM 528 N GLU A 562 44.854 -38.815 -13.974 1.00 51.17 N ATOM 529 CA GLU A 562 46.257 -38.511 -13.699 1.00 49.98 C ATOM 530 C GLU A 562 46.411 -37.161 -13.015 1.00 51.30 C ATOM 531 O GLU A 562 47.190 -37.050 -12.062 1.00 50.48 O ATOM 532 CB GLU A 562 47.102 -38.631 -14.971 1.00 52.23 C ATOM 533 CG GLU A 562 47.543 -40.069 -15.210 1.00 62.61 C ATOM 534 CD GLU A 562 47.971 -40.495 -16.607 1.00 83.50 C ATOM 535 OE1 GLU A 562 47.354 -40.038 -17.600 1.00 72.02 O ATOM 536 OE2 GLU A 562 48.916 -41.315 -16.700 1.00 72.20 O ATOM 537 H GLU A 562 44.535 -38.837 -14.963 1.00 0.00 H ATOM 538 N LEU A 563 45.635 -36.149 -13.484 1.00 44.94 N ATOM 539 CA LEU A 563 45.581 -34.779 -12.956 1.00 44.25 C ATOM 540 C LEU A 563 45.080 -34.795 -11.493 1.00 45.39 C ATOM 541 O LEU A 563 45.763 -34.268 -10.611 1.00 45.28 O ATOM 542 CB LEU A 563 44.673 -33.900 -13.854 1.00 44.35 C ATOM 543 CG LEU A 563 44.275 -32.477 -13.350 1.00 49.42 C ATOM 544 CD1 LEU A 563 45.506 -31.599 -13.079 1.00 49.31 C ATOM 545 CD2 LEU A 563 43.352 -31.774 -14.350 1.00 52.35 C ATOM 546 H LEU A 563 45.020 -36.365 -14.295 1.00 0.00 H ATOM 547 N LEU A 564 43.912 -35.432 -11.251 1.00 37.73 N ATOM 548 CA LEU A 564 43.274 -35.583 -9.939 1.00 37.42 C ATOM 549 C LEU A 564 44.191 -36.335 -8.951 1.00 41.59 C ATOM 550 O LEU A 564 44.192 -36.044 -7.752 1.00 40.89 O ATOM 551 CB LEU A 564 41.891 -36.275 -10.068 1.00 35.89 C ATOM 552 CG LEU A 564 40.800 -35.565 -10.891 1.00 39.72 C ATOM 553 CD1 LEU A 564 39.604 -36.458 -11.104 1.00 38.86 C ATOM 554 CD2 LEU A 564 40.383 -34.276 -10.261 1.00 41.54 C ATOM 555 H LEU A 564 43.423 -35.852 -12.067 1.00 0.00 H ATOM 556 N THR A 565 44.992 -37.275 -9.470 1.00 40.55 N ATOM 557 CA THR A 565 45.964 -38.056 -8.697 1.00 40.95 C ATOM 558 C THR A 565 47.063 -37.105 -8.156 1.00 46.49 C ATOM 559 O THR A 565 47.506 -37.266 -7.017 1.00 45.99 O ATOM 560 CB THR A 565 46.482 -39.237 -9.572 1.00 47.23 C ATOM 561 OG1 THR A 565 45.425 -40.186 -9.745 1.00 44.47 O ATOM 562 CG2 THR A 565 47.687 -39.950 -8.980 1.00 44.97 C ATOM 563 HG1 THR A 565 44.659 -39.747 -10.194 1.00 0.00 H ATOM 564 H THR A 565 44.920 -37.464 -10.490 1.00 0.00 H ATOM 565 N MET A 566 47.450 -36.098 -8.974 1.00 45.00 N ATOM 566 CA MET A 566 48.480 -35.100 -8.676 1.00 45.92 C ATOM 567 C MET A 566 48.004 -33.930 -7.783 1.00 48.57 C ATOM 568 O MET A 566 48.794 -33.436 -6.968 1.00 48.18 O ATOM 569 CB MET A 566 49.123 -34.596 -9.985 1.00 49.70 C ATOM 570 CG MET A 566 50.139 -35.600 -10.568 1.00 54.63 C ATOM 571 SD MET A 566 51.388 -36.234 -9.349 1.00 60.18 S ATOM 572 CE MET A 566 51.493 -37.977 -9.838 1.00 57.45 C ATOM 573 H MET A 566 46.974 -36.027 -9.896 1.00 0.00 H ATOM 574 N LEU A 567 46.724 -33.497 -7.933 1.00 44.56 N ATOM 575 CA LEU A 567 46.140 -32.415 -7.132 1.00 43.29 C ATOM 576 C LEU A 567 45.690 -32.970 -5.767 1.00 44.11 C ATOM 577 O LEU A 567 44.564 -33.484 -5.632 1.00 44.32 O ATOM 578 CB LEU A 567 44.952 -31.741 -7.852 1.00 43.12 C ATOM 579 CG LEU A 567 45.213 -30.981 -9.154 1.00 47.87 C ATOM 580 CD1 LEU A 567 43.907 -30.495 -9.753 1.00 47.99 C ATOM 581 CD2 LEU A 567 46.148 -29.798 -8.938 1.00 49.29 C ATOM 582 H LEU A 567 46.129 -33.956 -8.652 1.00 0.00 H ATOM 583 N GLN A 568 46.584 -32.901 -4.769 1.00 37.45 N ATOM 584 CA GLN A 568 46.325 -33.387 -3.416 1.00 35.90 C ATOM 585 C GLN A 568 46.585 -32.279 -2.407 1.00 35.47 C ATOM 586 O GLN A 568 47.732 -31.850 -2.202 1.00 34.90 O ATOM 587 CB GLN A 568 47.125 -34.667 -3.089 1.00 37.96 C ATOM 588 CG GLN A 568 46.813 -35.890 -3.977 1.00 52.35 C ATOM 589 CD GLN A 568 45.398 -36.419 -3.867 1.00 73.44 C ATOM 590 OE1 GLN A 568 44.914 -36.776 -2.780 1.00 70.32 O ATOM 591 NE2 GLN A 568 44.709 -36.494 -5.005 1.00 59.44 N ATOM 592 HE22 GLN A 568 45.145 -36.186 -5.898 1.00 0.00 H ATOM 593 HE21 GLN A 568 43.736 -36.860 -5.000 1.00 0.00 H ATOM 594 H GLN A 568 47.513 -32.478 -4.970 1.00 0.00 H ATOM 595 N HIS A 569 45.494 -31.806 -1.788 1.00 30.21 N ATOM 596 CA HIS A 569 45.544 -30.711 -0.841 1.00 29.47 C ATOM 597 C HIS A 569 44.401 -30.746 0.150 1.00 33.04 C ATOM 598 O HIS A 569 43.322 -31.275 -0.112 1.00 33.33 O ATOM 599 CB HIS A 569 45.545 -29.372 -1.614 1.00 29.69 C ATOM 600 CG HIS A 569 45.727 -28.138 -0.781 1.00 33.20 C ATOM 601 ND1 HIS A 569 44.654 -27.343 -0.431 1.00 34.87 N ATOM 602 CD2 HIS A 569 46.858 -27.598 -0.272 1.00 34.53 C ATOM 603 CE1 HIS A 569 45.162 -26.352 0.276 1.00 33.73 C ATOM 604 NE2 HIS A 569 46.485 -26.465 0.401 1.00 33.99 N ATOM 605 H HIS A 569 44.574 -32.243 -1.996 1.00 0.00 H ATOM 606 N GLN A 570 44.660 -30.152 1.295 1.00 31.20 N ATOM 607 CA GLN A 570 43.775 -29.994 2.428 1.00 30.79 C ATOM 608 C GLN A 570 42.415 -29.362 1.992 1.00 33.83 C ATOM 609 O GLN A 570 41.377 -29.758 2.518 1.00 32.97 O ATOM 610 CB GLN A 570 44.503 -29.143 3.498 1.00 34.98 C ATOM 611 CG GLN A 570 45.869 -29.714 4.001 1.00 34.98 C ATOM 612 CD GLN A 570 47.069 -29.769 3.010 1.00 34.98 C ATOM 613 OE1 GLN A 570 47.672 -28.735 2.632 1.00 34.98 O ATOM 614 NE2 GLN A 570 47.466 -30.995 2.572 1.00 34.98 N ATOM 615 HE22 GLN A 570 46.963 -31.848 2.888 1.00 0.00 H ATOM 616 HE21 GLN A 570 48.273 -31.078 1.921 1.00 0.00 H ATOM 617 H GLN A 570 45.613 -29.749 1.397 1.00 0.00 H ATOM 618 N HIS A 571 42.421 -28.419 1.008 1.00 27.20 N ATOM 619 CA HIS A 571 41.204 -27.725 0.556 1.00 26.88 C ATOM 620 C HIS A 571 40.808 -27.988 -0.912 1.00 30.27 C ATOM 621 O HIS A 571 40.142 -27.164 -1.536 1.00 29.82 O ATOM 622 CB HIS A 571 41.276 -26.211 0.871 1.00 27.69 C ATOM 623 CG HIS A 571 41.328 -26.009 2.345 1.00 31.08 C ATOM 624 ND1 HIS A 571 40.181 -26.145 3.138 1.00 32.65 N ATOM 625 CD2 HIS A 571 42.401 -25.843 3.150 1.00 32.45 C ATOM 626 CE1 HIS A 571 40.593 -26.011 4.387 1.00 31.56 C ATOM 627 NE2 HIS A 571 41.921 -25.813 4.448 1.00 31.86 N ATOM 628 H HIS A 571 43.326 -28.179 0.556 1.00 0.00 H ATOM 629 N ILE A 572 41.178 -29.168 -1.415 1.00 23.69 N ATOM 630 CA ILE A 572 40.852 -29.689 -2.729 1.00 23.86 C ATOM 631 C ILE A 572 40.154 -31.009 -2.432 1.00 29.06 C ATOM 632 O ILE A 572 40.686 -31.830 -1.672 1.00 28.37 O ATOM 633 CB ILE A 572 42.088 -29.844 -3.686 1.00 25.84 C ATOM 634 CG1 ILE A 572 42.875 -28.503 -3.882 1.00 26.42 C ATOM 635 CG2 ILE A 572 41.693 -30.472 -5.045 1.00 24.76 C ATOM 636 CD1 ILE A 572 42.124 -27.270 -4.662 1.00 31.22 C ATOM 637 H ILE A 572 41.759 -29.775 -0.803 1.00 0.00 H ATOM 638 N VAL A 573 38.939 -31.186 -2.993 1.00 27.78 N ATOM 639 CA VAL A 573 38.117 -32.391 -2.855 1.00 28.38 C ATOM 640 C VAL A 573 39.011 -33.649 -3.111 1.00 34.74 C ATOM 641 O VAL A 573 39.712 -33.698 -4.124 1.00 35.26 O ATOM 642 CB VAL A 573 36.905 -32.301 -3.814 1.00 30.37 C ATOM 643 CG1 VAL A 573 36.118 -33.612 -3.854 1.00 30.37 C ATOM 644 CG2 VAL A 573 36.002 -31.137 -3.422 1.00 30.37 C ATOM 645 H VAL A 573 38.557 -30.407 -3.567 1.00 0.00 H ATOM 646 N ARG A 574 39.025 -34.619 -2.186 1.00 33.66 N ATOM 647 CA ARG A 574 39.866 -35.805 -2.327 1.00 33.82 C ATOM 648 C ARG A 574 39.441 -36.740 -3.428 1.00 38.63 C ATOM 649 O ARG A 574 38.265 -37.077 -3.538 1.00 37.64 O ATOM 650 CB ARG A 574 40.009 -36.600 -1.010 1.00 37.32 C ATOM 651 CG ARG A 574 40.816 -35.914 0.073 1.00 50.96 C ATOM 652 CD ARG A 574 41.449 -36.909 1.040 1.00 60.51 C ATOM 653 NE ARG A 574 40.485 -37.533 1.959 1.00 65.01 N ATOM 654 CZ ARG A 574 40.770 -38.561 2.757 1.00 74.61 C ATOM 655 NH1 ARG A 574 41.990 -39.093 2.759 1.00 52.81 N ATOM 656 NH2 ARG A 574 39.834 -39.075 3.548 1.00 57.05 N ATOM 657 HE ARG A 574 39.520 -37.147 1.988 1.00 0.00 H ATOM 658 HH12 ARG A 574 42.206 -39.895 3.384 1.00 0.00 H ATOM 659 HH11 ARG A 574 42.727 -38.706 2.135 1.00 0.00 H ATOM 660 HH22 ARG A 574 40.061 -39.878 4.169 1.00 0.00 H ATOM 661 HH21 ARG A 574 38.874 -38.675 3.546 1.00 0.00 H ATOM 662 H ARG A 574 38.421 -34.525 -1.345 1.00 0.00 H ATOM 663 N PHE A 575 40.411 -37.169 -4.228 1.00 38.38 N ATOM 664 CA PHE A 575 40.237 -38.146 -5.290 1.00 38.77 C ATOM 665 C PHE A 575 40.892 -39.419 -4.728 1.00 42.51 C ATOM 666 O PHE A 575 42.018 -39.351 -4.214 1.00 42.11 O ATOM 667 CB PHE A 575 40.927 -37.693 -6.589 1.00 40.90 C ATOM 668 CG PHE A 575 40.925 -38.737 -7.688 1.00 42.67 C ATOM 669 CD1 PHE A 575 39.747 -39.087 -8.337 1.00 45.94 C ATOM 670 CD2 PHE A 575 42.103 -39.361 -8.078 1.00 45.09 C ATOM 671 CE1 PHE A 575 39.747 -40.042 -9.348 1.00 47.00 C ATOM 672 CE2 PHE A 575 42.105 -40.308 -9.107 1.00 48.07 C ATOM 673 CZ PHE A 575 40.927 -40.639 -9.732 1.00 45.80 C ATOM 674 H PHE A 575 41.364 -36.777 -4.084 1.00 0.00 H ATOM 675 N PHE A 576 40.186 -40.557 -4.769 1.00 38.97 N ATOM 676 CA PHE A 576 40.733 -41.806 -4.220 1.00 39.25 C ATOM 677 C PHE A 576 41.188 -42.818 -5.271 1.00 44.82 C ATOM 678 O PHE A 576 41.839 -43.801 -4.919 1.00 45.07 O ATOM 679 CB PHE A 576 39.760 -42.467 -3.237 1.00 39.12 C ATOM 680 CG PHE A 576 39.465 -41.689 -1.981 1.00 39.68 C ATOM 681 CD1 PHE A 576 40.441 -41.504 -1.015 1.00 41.68 C ATOM 682 CD2 PHE A 576 38.188 -41.203 -1.732 1.00 40.74 C ATOM 683 CE1 PHE A 576 40.158 -40.808 0.155 1.00 42.39 C ATOM 684 CE2 PHE A 576 37.902 -40.523 -0.553 1.00 43.76 C ATOM 685 CZ PHE A 576 38.887 -40.321 0.379 1.00 41.22 C ATOM 686 H PHE A 576 39.237 -40.557 -5.195 1.00 0.00 H ATOM 687 N GLY A 577 40.860 -42.574 -6.530 1.00 43.14 N ATOM 688 CA GLY A 577 41.255 -43.456 -7.613 1.00 43.88 C ATOM 689 C GLY A 577 40.161 -43.771 -8.604 1.00 50.23 C ATOM 690 O GLY A 577 39.059 -43.201 -8.557 1.00 49.82 O ATOM 691 H GLY A 577 40.302 -41.724 -6.750 1.00 0.00 H ATOM 692 N VAL A 578 40.482 -44.684 -9.517 1.00 50.29 N ATOM 693 CA VAL A 578 39.572 -45.150 -10.556 1.00 51.36 C ATOM 694 C VAL A 578 39.284 -46.641 -10.410 1.00 59.38 C ATOM 695 O VAL A 578 39.888 -47.328 -9.578 1.00 59.47 O ATOM 696 CB VAL A 578 40.102 -44.836 -11.972 1.00 54.71 C ATOM 697 CG1 VAL A 578 40.214 -43.339 -12.188 1.00 54.71 C ATOM 698 CG2 VAL A 578 41.433 -45.535 -12.239 1.00 54.71 C ATOM 699 H VAL A 578 41.439 -45.089 -9.488 1.00 0.00 H ATOM 700 N CYS A 579 38.352 -47.126 -11.235 1.00 60.42 N ATOM 701 CA CYS A 579 37.949 -48.518 -11.352 1.00 61.47 C ATOM 702 C CYS A 579 37.755 -48.744 -12.832 1.00 66.96 C ATOM 703 O CYS A 579 36.769 -48.283 -13.415 1.00 66.37 O ATOM 704 CB CYS A 579 36.681 -48.834 -10.563 1.00 62.51 C ATOM 705 SG CYS A 579 36.007 -50.486 -10.894 1.00 66.72 S ATOM 706 H CYS A 579 37.869 -46.443 -11.852 1.00 0.00 H ATOM 707 N THR A 580 38.741 -49.403 -13.442 1.00 65.75 N ATOM 708 CA THR A 580 38.759 -49.733 -14.863 1.00 65.94 C ATOM 709 C THR A 580 38.219 -51.157 -15.086 1.00 70.68 C ATOM 710 O THR A 580 37.927 -51.513 -16.233 1.00 69.80 O ATOM 711 CB THR A 580 40.147 -49.461 -15.478 1.00 71.60 C ATOM 712 OG1 THR A 580 41.171 -49.938 -14.594 1.00 72.65 O ATOM 713 CG2 THR A 580 40.367 -47.984 -15.773 1.00 69.52 C ATOM 714 HG1 THR A 580 41.100 -49.469 -13.725 1.00 0.00 H ATOM 715 H THR A 580 39.553 -49.702 -12.865 1.00 0.00 H ATOM 716 N GLU A 581 38.057 -51.953 -13.985 1.00 66.79 N ATOM 717 CA GLU A 581 37.549 -53.332 -14.027 1.00 66.98 C ATOM 718 C GLU A 581 36.051 -53.362 -14.376 1.00 69.29 C ATOM 719 O GLU A 581 35.184 -53.381 -13.495 1.00 68.98 O ATOM 720 CB GLU A 581 37.896 -54.129 -12.740 1.00 68.86 C ATOM 721 CG GLU A 581 37.530 -55.616 -12.776 1.00 79.56 C ATOM 722 CD GLU A 581 38.233 -56.542 -13.766 1.00 96.29 C ATOM 723 OE1 GLU A 581 38.898 -57.501 -13.305 1.00 87.24 O ATOM 724 OE2 GLU A 581 38.105 -56.329 -14.996 1.00 81.78 O ATOM 725 H GLU A 581 38.310 -51.556 -13.057 1.00 0.00 H ATOM 726 N GLY A 582 35.790 -53.354 -15.678 1.00 62.56 N ATOM 727 CA GLY A 582 34.452 -53.368 -16.244 1.00 61.98 C ATOM 728 C GLY A 582 33.996 -52.007 -16.721 1.00 64.48 C ATOM 729 O GLY A 582 34.790 -51.066 -16.829 1.00 63.94 O ATOM 730 H GLY A 582 36.596 -53.337 -16.335 1.00 0.00 H ATOM 731 N ARG A 583 32.704 -51.915 -17.027 1.00 59.71 N ATOM 732 CA ARG A 583 32.042 -50.708 -17.494 1.00 58.94 C ATOM 733 C ARG A 583 30.726 -50.543 -16.688 1.00 61.77 C ATOM 734 O ARG A 583 30.093 -51.557 -16.366 1.00 61.14 O ATOM 735 CB ARG A 583 31.819 -50.756 -19.014 1.00 56.98 C ATOM 736 H ARG A 583 32.124 -52.772 -16.924 1.00 0.00 H ATOM 737 N PRO A 584 30.326 -49.308 -16.272 1.00 57.77 N ATOM 738 CA PRO A 584 30.959 -48.003 -16.546 1.00 56.54 C ATOM 739 C PRO A 584 32.312 -47.782 -15.863 1.00 56.54 C ATOM 740 O PRO A 584 32.689 -48.490 -14.921 1.00 55.72 O ATOM 741 CB PRO A 584 29.912 -46.988 -16.044 1.00 58.22 C ATOM 742 CG PRO A 584 28.637 -47.757 -15.871 1.00 63.11 C ATOM 743 CD PRO A 584 29.081 -49.130 -15.496 1.00 58.85 C ATOM 744 N LEU A 585 33.059 -46.797 -16.374 1.00 52.05 N ATOM 745 CA LEU A 585 34.335 -46.436 -15.790 1.00 50.96 C ATOM 746 C LEU A 585 33.975 -45.562 -14.578 1.00 51.43 C ATOM 747 O LEU A 585 33.071 -44.717 -14.660 1.00 50.01 O ATOM 748 CB LEU A 585 35.227 -45.673 -16.791 1.00 51.29 C ATOM 749 CG LEU A 585 35.958 -46.483 -17.883 1.00 51.29 C ATOM 750 CD1 LEU A 585 36.728 -45.551 -18.817 1.00 51.29 C ATOM 751 CD2 LEU A 585 36.941 -47.486 -17.283 1.00 51.29 C ATOM 752 H LEU A 585 32.717 -46.279 -17.208 1.00 0.00 H ATOM 753 N LEU A 586 34.649 -45.811 -13.446 1.00 46.86 N ATOM 754 CA LEU A 586 34.390 -45.102 -12.205 1.00 45.96 C ATOM 755 C LEU A 586 35.570 -44.295 -11.707 1.00 48.67 C ATOM 756 O LEU A 586 36.725 -44.677 -11.903 1.00 48.26 O ATOM 757 CB LEU A 586 33.922 -46.076 -11.112 1.00 45.45 C ATOM 758 CG LEU A 586 32.777 -47.037 -11.461 1.00 50.04 C ATOM 759 CD1 LEU A 586 32.387 -47.844 -10.260 1.00 49.87 C ATOM 760 CD2 LEU A 586 31.546 -46.297 -11.979 1.00 52.10 C ATOM 761 H LEU A 586 35.388 -46.542 -13.457 1.00 0.00 H ATOM 762 N MET A 587 35.251 -43.162 -11.066 1.00 46.25 N ATOM 763 CA MET A 587 36.167 -42.227 -10.423 1.00 45.46 C ATOM 764 C MET A 587 35.599 -42.045 -9.041 1.00 45.62 C ATOM 765 O MET A 587 34.417 -41.712 -8.912 1.00 45.07 O ATOM 766 CB MET A 587 36.226 -40.913 -11.173 1.00 49.65 C ATOM 767 CG MET A 587 37.423 -40.818 -12.034 1.00 49.65 C ATOM 768 SD MET A 587 37.345 -39.266 -12.912 1.00 49.65 S ATOM 769 CE MET A 587 38.760 -39.463 -14.012 1.00 49.65 C ATOM 770 H MET A 587 34.240 -42.924 -11.022 1.00 0.00 H ATOM 771 N VAL A 588 36.414 -42.334 -8.008 1.00 35.70 N ATOM 772 CA VAL A 588 35.974 -42.303 -6.615 1.00 34.13 C ATOM 773 C VAL A 588 36.537 -41.101 -5.891 1.00 34.54 C ATOM 774 O VAL A 588 37.749 -40.874 -5.913 1.00 33.29 O ATOM 775 CB VAL A 588 36.284 -43.663 -5.910 1.00 37.99 C ATOM 776 CG1 VAL A 588 35.692 -43.737 -4.503 1.00 37.99 C ATOM 777 CG2 VAL A 588 35.782 -44.841 -6.748 1.00 37.99 C ATOM 778 H VAL A 588 37.401 -42.591 -8.211 1.00 0.00 H ATOM 779 N PHE A 589 35.633 -40.312 -5.263 1.00 27.63 N ATOM 780 CA PHE A 589 35.965 -39.082 -4.510 1.00 26.69 C ATOM 781 C PHE A 589 35.372 -39.118 -3.121 1.00 30.48 C ATOM 782 O PHE A 589 34.428 -39.871 -2.894 1.00 29.53 O ATOM 783 CB PHE A 589 35.418 -37.816 -5.218 1.00 26.77 C ATOM 784 CG PHE A 589 35.811 -37.634 -6.662 1.00 27.13 C ATOM 785 CD1 PHE A 589 35.088 -38.251 -7.682 1.00 28.53 C ATOM 786 CD2 PHE A 589 36.877 -36.815 -7.012 1.00 28.30 C ATOM 787 CE1 PHE A 589 35.451 -38.084 -9.017 1.00 28.83 C ATOM 788 CE2 PHE A 589 37.224 -36.629 -8.359 1.00 30.43 C ATOM 789 CZ PHE A 589 36.516 -37.275 -9.346 1.00 27.70 C ATOM 790 H PHE A 589 34.632 -40.591 -5.314 1.00 0.00 H ATOM 791 N GLU A 590 35.888 -38.258 -2.210 1.00 25.04 N ATOM 792 CA GLU A 590 35.362 -38.132 -0.859 1.00 24.89 C ATOM 793 C GLU A 590 33.908 -37.581 -0.849 1.00 30.03 C ATOM 794 O GLU A 590 33.487 -36.848 -1.759 1.00 29.78 O ATOM 795 CB GLU A 590 36.298 -37.290 0.023 1.00 26.19 C ATOM 796 CG GLU A 590 36.080 -35.791 -0.052 1.00 33.83 C ATOM 797 CD GLU A 590 37.035 -34.919 0.741 1.00 47.70 C ATOM 798 OE1 GLU A 590 37.205 -35.132 1.963 1.00 34.47 O ATOM 799 OE2 GLU A 590 37.608 -33.995 0.127 1.00 34.62 O ATOM 800 H GLU A 590 36.694 -37.663 -2.488 1.00 0.00 H ATOM 801 N TYR A 591 33.138 -37.958 0.190 1.00 28.88 N ATOM 802 CA TYR A 591 31.770 -37.481 0.328 1.00 29.17 C ATOM 803 C TYR A 591 31.768 -36.356 1.339 1.00 34.75 C ATOM 804 O TYR A 591 32.312 -36.499 2.435 1.00 34.17 O ATOM 805 CB TYR A 591 30.798 -38.600 0.701 1.00 29.05 C ATOM 806 CG TYR A 591 29.367 -38.127 0.782 1.00 31.41 C ATOM 807 CD1 TYR A 591 28.719 -37.611 -0.337 1.00 33.47 C ATOM 808 CD2 TYR A 591 28.658 -38.185 1.979 1.00 32.52 C ATOM 809 CE1 TYR A 591 27.406 -37.141 -0.264 1.00 34.11 C ATOM 810 CE2 TYR A 591 27.339 -37.729 2.063 1.00 33.67 C ATOM 811 CZ TYR A 591 26.718 -37.196 0.939 1.00 41.34 C ATOM 812 OH TYR A 591 25.410 -36.742 0.986 1.00 44.85 O ATOM 813 HH TYR A 591 25.148 -36.401 0.094 1.00 0.00 H ATOM 814 H TYR A 591 33.528 -38.602 0.907 1.00 0.00 H ATOM 815 N MET A 592 31.208 -35.209 0.928 1.00 35.82 N ATOM 816 CA MET A 592 31.068 -33.983 1.721 1.00 35.96 C ATOM 817 C MET A 592 29.559 -33.851 2.010 1.00 39.31 C ATOM 818 O MET A 592 28.771 -33.499 1.119 1.00 38.20 O ATOM 819 CB MET A 592 31.617 -32.770 0.953 1.00 37.99 C ATOM 820 CG MET A 592 33.042 -32.949 0.458 1.00 41.68 C ATOM 821 SD MET A 592 34.261 -32.628 1.729 1.00 45.53 S ATOM 822 CE MET A 592 34.201 -30.892 1.799 1.00 42.34 C ATOM 823 H MET A 592 30.838 -35.187 -0.044 1.00 0.00 H ATOM 824 N ARG A 593 29.171 -34.201 3.258 1.00 38.38 N ATOM 825 CA ARG A 593 27.796 -34.255 3.785 1.00 38.07 C ATOM 826 C ARG A 593 26.872 -33.089 3.496 1.00 41.07 C ATOM 827 O ARG A 593 25.673 -33.323 3.346 1.00 39.61 O ATOM 828 CB ARG A 593 27.812 -34.451 5.301 1.00 40.80 C ATOM 829 CG ARG A 593 28.680 -35.614 5.773 1.00 50.22 C ATOM 830 CD ARG A 593 28.095 -36.262 6.999 1.00 58.44 C ATOM 831 NE ARG A 593 26.737 -36.739 6.730 1.00 63.25 N ATOM 832 CZ ARG A 593 26.417 -38.004 6.479 1.00 73.43 C ATOM 833 NH1 ARG A 593 27.356 -38.950 6.477 1.00 48.37 N ATOM 834 NH2 ARG A 593 25.155 -38.339 6.246 1.00 58.28 N ATOM 835 HE ARG A 593 25.969 -36.038 6.736 1.00 0.00 H ATOM 836 HH12 ARG A 593 27.098 -39.938 6.280 1.00 0.00 H ATOM 837 HH11 ARG A 593 28.346 -38.700 6.673 1.00 0.00 H ATOM 838 HH22 ARG A 593 24.908 -39.330 6.050 1.00 0.00 H ATOM 839 HH21 ARG A 593 24.413 -37.611 6.259 1.00 0.00 H ATOM 840 H ARG A 593 29.929 -34.461 3.920 1.00 0.00 H ATOM 841 N HIS A 594 27.403 -31.850 3.454 1.00 37.25 N ATOM 842 CA HIS A 594 26.610 -30.622 3.310 1.00 36.96 C ATOM 843 C HIS A 594 26.437 -30.119 1.873 1.00 37.72 C ATOM 844 O HIS A 594 25.801 -29.077 1.640 1.00 38.45 O ATOM 845 CB HIS A 594 27.180 -29.537 4.230 1.00 39.18 C ATOM 846 CG HIS A 594 27.138 -29.934 5.678 1.00 43.30 C ATOM 847 ND1 HIS A 594 26.350 -29.253 6.590 1.00 45.43 N ATOM 848 CD2 HIS A 594 27.755 -30.960 6.318 1.00 45.69 C ATOM 849 CE1 HIS A 594 26.532 -29.868 7.754 1.00 45.08 C ATOM 850 NE2 HIS A 594 27.359 -30.908 7.637 1.00 45.47 N ATOM 851 H HIS A 594 28.436 -31.758 3.528 1.00 0.00 H ATOM 852 N GLY A 595 26.940 -30.897 0.925 1.00 32.62 N ATOM 853 CA GLY A 595 26.827 -30.599 -0.495 1.00 31.16 C ATOM 854 C GLY A 595 27.568 -29.360 -0.935 1.00 31.78 C ATOM 855 O GLY A 595 28.531 -28.941 -0.287 1.00 31.04 O ATOM 856 H GLY A 595 27.440 -31.763 1.210 1.00 0.00 H ATOM 857 N ASP A 596 27.112 -28.759 -2.037 1.00 27.87 N ATOM 858 CA ASP A 596 27.773 -27.583 -2.572 1.00 27.24 C ATOM 859 C ASP A 596 27.603 -26.374 -1.637 1.00 30.85 C ATOM 860 O ASP A 596 26.600 -26.282 -0.919 1.00 31.33 O ATOM 861 CB ASP A 596 27.351 -27.321 -4.026 1.00 31.18 C ATOM 862 CG ASP A 596 26.047 -26.565 -4.197 1.00 31.18 C ATOM 863 OD1 ASP A 596 26.085 -25.305 -4.210 1.00 31.18 O ATOM 864 OD2 ASP A 596 24.982 -27.229 -4.328 1.00 31.18 O ATOM 865 H ASP A 596 26.272 -29.139 -2.518 1.00 0.00 H ATOM 866 N LEU A 597 28.604 -25.477 -1.643 1.00 20.95 N ATOM 867 CA LEU A 597 28.677 -24.294 -0.808 1.00 20.03 C ATOM 868 C LEU A 597 27.633 -23.221 -1.129 1.00 24.47 C ATOM 869 O LEU A 597 27.327 -22.416 -0.243 1.00 24.05 O ATOM 870 CB LEU A 597 30.113 -23.730 -0.825 1.00 18.50 C ATOM 871 CG LEU A 597 30.416 -22.435 -0.080 1.00 22.96 C ATOM 872 CD1 LEU A 597 30.174 -22.562 1.393 1.00 23.33 C ATOM 873 CD2 LEU A 597 31.783 -21.979 -0.360 1.00 22.80 C ATOM 874 H LEU A 597 29.391 -25.646 -2.301 1.00 0.00 H ATOM 875 N ASN A 598 27.073 -23.180 -2.342 1.00 22.64 N ATOM 876 CA ASN A 598 26.049 -22.148 -2.615 1.00 22.79 C ATOM 877 C ASN A 598 24.755 -22.510 -1.899 1.00 26.47 C ATOM 878 O ASN A 598 24.120 -21.654 -1.287 1.00 26.33 O ATOM 879 CB ASN A 598 25.787 -21.956 -4.112 1.00 20.38 C ATOM 880 CG ASN A 598 24.828 -20.844 -4.408 1.00 39.47 C ATOM 881 OD1 ASN A 598 23.615 -21.035 -4.452 1.00 30.59 O ATOM 882 ND2 ASN A 598 25.356 -19.656 -4.611 1.00 31.77 N ATOM 883 HD22 ASN A 598 26.387 -19.531 -4.566 1.00 0.00 H ATOM 884 HD21 ASN A 598 24.742 -18.842 -4.816 1.00 0.00 H ATOM 885 H ASN A 598 27.351 -23.859 -3.078 1.00 0.00 H ATOM 886 N ARG A 599 24.369 -23.776 -1.972 1.00 23.75 N ATOM 887 CA ARG A 599 23.147 -24.209 -1.323 1.00 23.77 C ATOM 888 C ARG A 599 23.314 -24.082 0.184 1.00 27.44 C ATOM 889 O ARG A 599 22.373 -23.683 0.853 1.00 27.25 O ATOM 890 CB ARG A 599 22.789 -25.651 -1.749 1.00 26.27 C ATOM 891 CG ARG A 599 21.447 -26.188 -1.228 1.00 38.72 C ATOM 892 CD ARG A 599 20.226 -25.358 -1.617 1.00 44.56 C ATOM 893 NE ARG A 599 20.088 -25.235 -3.069 1.00 50.30 N ATOM 894 CZ ARG A 599 19.407 -26.084 -3.831 1.00 61.54 C ATOM 895 NH1 ARG A 599 18.776 -27.120 -3.285 1.00 49.53 N ATOM 896 NH2 ARG A 599 19.349 -25.903 -5.145 1.00 34.20 N ATOM 897 HE ARG A 599 20.554 -24.430 -3.535 1.00 0.00 H ATOM 898 HH12 ARG A 599 18.245 -27.781 -3.887 1.00 0.00 H ATOM 899 HH11 ARG A 599 18.814 -27.269 -2.256 1.00 0.00 H ATOM 900 HH22 ARG A 599 18.815 -26.569 -5.739 1.00 0.00 H ATOM 901 HH21 ARG A 599 19.837 -25.095 -5.581 1.00 0.00 H ATOM 902 H ARG A 599 24.946 -24.463 -2.498 1.00 0.00 H ATOM 903 N PHE A 600 24.506 -24.409 0.701 1.00 23.24 N ATOM 904 CA PHE A 600 24.833 -24.346 2.114 1.00 23.29 C ATOM 905 C PHE A 600 24.668 -22.930 2.642 1.00 28.97 C ATOM 906 O PHE A 600 24.072 -22.756 3.706 1.00 29.88 O ATOM 907 CB PHE A 600 26.266 -24.861 2.372 1.00 24.36 C ATOM 908 CG PHE A 600 26.689 -24.737 3.818 1.00 25.52 C ATOM 909 CD1 PHE A 600 26.514 -25.800 4.707 1.00 27.65 C ATOM 910 CD2 PHE A 600 27.266 -23.557 4.296 1.00 27.52 C ATOM 911 CE1 PHE A 600 26.913 -25.692 6.044 1.00 28.53 C ATOM 912 CE2 PHE A 600 27.658 -23.446 5.635 1.00 30.50 C ATOM 913 CZ PHE A 600 27.474 -24.516 6.500 1.00 28.01 C ATOM 914 H PHE A 600 25.247 -24.730 0.046 1.00 0.00 H ATOM 915 N LEU A 601 25.216 -21.931 1.908 1.00 26.98 N ATOM 916 CA LEU A 601 25.160 -20.516 2.269 1.00 26.68 C ATOM 917 C LEU A 601 23.705 -20.076 2.305 1.00 31.24 C ATOM 918 O LEU A 601 23.292 -19.423 3.269 1.00 30.44 O ATOM 919 CB LEU A 601 25.941 -19.659 1.257 1.00 25.99 C ATOM 920 CG LEU A 601 27.448 -19.681 1.343 1.00 29.84 C ATOM 921 CD1 LEU A 601 28.048 -19.109 0.087 1.00 29.66 C ATOM 922 CD2 LEU A 601 27.925 -18.928 2.573 1.00 29.97 C ATOM 923 H LEU A 601 25.709 -22.189 1.029 1.00 0.00 H ATOM 924 N ARG A 602 22.933 -20.473 1.257 1.00 29.04 N ATOM 925 CA ARG A 602 21.501 -20.211 1.091 1.00 28.89 C ATOM 926 C ARG A 602 20.723 -20.834 2.275 1.00 34.64 C ATOM 927 O ARG A 602 19.781 -20.209 2.776 1.00 35.07 O ATOM 928 CB ARG A 602 20.993 -20.738 -0.286 1.00 25.41 C ATOM 929 CG ARG A 602 21.445 -19.885 -1.496 1.00 29.97 C ATOM 930 CD ARG A 602 20.590 -20.074 -2.748 1.00 38.18 C ATOM 931 NE ARG A 602 21.197 -19.545 -3.982 1.00 43.13 N ATOM 932 CZ ARG A 602 20.864 -18.391 -4.573 1.00 56.08 C ATOM 933 NH1 ARG A 602 19.924 -17.607 -4.046 1.00 40.87 N ATOM 934 NH2 ARG A 602 21.480 -18.005 -5.686 1.00 37.61 N ATOM 935 HE ARG A 602 21.944 -20.114 -4.430 1.00 0.00 H ATOM 936 HH12 ARG A 602 19.672 -16.712 -4.512 1.00 0.00 H ATOM 937 HH11 ARG A 602 19.443 -17.890 -3.169 1.00 0.00 H ATOM 938 HH22 ARG A 602 21.217 -17.107 -6.141 1.00 0.00 H ATOM 939 HH21 ARG A 602 22.224 -18.601 -6.102 1.00 0.00 H ATOM 940 H ARG A 602 23.404 -21.013 0.503 1.00 0.00 H ATOM 941 N SER A 603 21.150 -22.024 2.752 1.00 30.26 N ATOM 942 CA SER A 603 20.522 -22.745 3.866 1.00 30.25 C ATOM 943 C SER A 603 20.856 -22.166 5.229 1.00 34.99 C ATOM 944 O SER A 603 20.098 -22.389 6.183 1.00 34.94 O ATOM 945 CB SER A 603 20.934 -24.211 3.864 1.00 35.50 C ATOM 946 OG SER A 603 20.541 -24.814 2.647 1.00 35.50 O ATOM 947 HG SER A 603 20.980 -24.348 1.892 1.00 0.00 H ATOM 948 H SER A 603 21.979 -22.458 2.299 1.00 0.00 H ATOM 949 N HIS A 604 22.002 -21.457 5.333 1.00 32.18 N ATOM 950 CA HIS A 604 22.456 -20.860 6.595 1.00 31.66 C ATOM 951 C HIS A 604 22.557 -19.343 6.526 1.00 35.12 C ATOM 952 O HIS A 604 23.520 -18.765 7.028 1.00 34.66 O ATOM 953 CB HIS A 604 23.771 -21.514 7.058 1.00 32.96 C ATOM 954 CG HIS A 604 23.643 -22.989 7.249 1.00 36.43 C ATOM 955 ND1 HIS A 604 22.977 -23.514 8.335 1.00 38.00 N ATOM 956 CD2 HIS A 604 24.055 -24.000 6.455 1.00 38.73 C ATOM 957 CE1 HIS A 604 23.026 -24.827 8.179 1.00 37.67 C ATOM 958 NE2 HIS A 604 23.662 -25.166 7.061 1.00 38.30 N ATOM 959 H HIS A 604 22.587 -21.329 4.483 1.00 0.00 H ATOM 960 N GLY A 605 21.548 -18.721 5.913 1.00 31.61 N ATOM 961 CA GLY A 605 21.457 -17.283 5.727 1.00 32.01 C ATOM 962 C GLY A 605 20.409 -16.602 6.578 1.00 37.34 C ATOM 963 O GLY A 605 19.999 -17.129 7.616 1.00 36.66 O ATOM 964 H GLY A 605 20.773 -19.307 5.542 1.00 0.00 H ATOM 965 N PRO A 606 19.962 -15.397 6.154 1.00 38.58 N ATOM 966 CA PRO A 606 18.940 -14.665 6.929 1.00 38.81 C ATOM 967 C PRO A 606 17.652 -15.450 7.198 1.00 43.42 C ATOM 968 O PRO A 606 17.107 -15.341 8.298 1.00 43.53 O ATOM 969 CB PRO A 606 18.670 -13.433 6.068 1.00 40.21 C ATOM 970 CG PRO A 606 19.907 -13.265 5.279 1.00 44.62 C ATOM 971 CD PRO A 606 20.360 -14.635 4.954 1.00 39.86 C ATOM 972 N ASP A 607 17.193 -16.256 6.230 1.00 39.70 N ATOM 973 CA ASP A 607 15.971 -17.051 6.359 1.00 40.08 C ATOM 974 C ASP A 607 16.187 -18.527 6.801 1.00 43.29 C ATOM 975 O ASP A 607 15.325 -19.372 6.538 1.00 42.33 O ATOM 976 CB ASP A 607 15.152 -16.984 5.047 1.00 42.80 C ATOM 977 CG ASP A 607 15.927 -17.226 3.768 1.00 54.65 C ATOM 978 OD1 ASP A 607 17.014 -17.864 3.833 1.00 56.64 O ATOM 979 OD2 ASP A 607 15.457 -16.782 2.704 1.00 59.91 O ATOM 980 H ASP A 607 17.732 -16.319 5.343 1.00 0.00 H ATOM 981 N ALA A 608 17.317 -18.818 7.483 1.00 39.33 N ATOM 982 CA ALA A 608 17.669 -20.152 7.969 1.00 38.84 C ATOM 983 C ALA A 608 16.645 -20.800 8.909 1.00 41.88 C ATOM 984 O ALA A 608 16.493 -22.019 8.831 1.00 40.78 O ATOM 985 CB ALA A 608 19.029 -20.135 8.617 1.00 39.15 C ATOM 986 H ALA A 608 17.981 -18.041 7.675 1.00 0.00 H ATOM 987 N LYS A 609 15.934 -20.021 9.775 1.00 40.26 N ATOM 988 CA LYS A 609 14.917 -20.577 10.698 1.00 40.12 C ATOM 989 C LYS A 609 13.715 -21.099 9.929 1.00 43.59 C ATOM 990 O LYS A 609 13.205 -22.184 10.233 1.00 42.79 O ATOM 991 CB LYS A 609 14.448 -19.552 11.754 1.00 42.08 C ATOM 992 CG LYS A 609 15.319 -19.497 13.000 1.00 53.11 C ATOM 993 CD LYS A 609 15.737 -18.063 13.324 1.00 59.57 C ATOM 994 CE LYS A 609 16.969 -17.985 14.194 1.00 64.38 C ATOM 995 NZ LYS A 609 17.963 -17.021 13.639 1.00 67.21 N ATOM 996 HZ1 LYS A 609 18.248 -17.328 12.687 1.00 0.00 H ATOM 997 HZ2 LYS A 609 17.534 -16.075 13.585 1.00 0.00 H ATOM 998 HZ3 LYS A 609 18.798 -16.990 14.259 1.00 0.00 H ATOM 999 H LYS A 609 16.113 -18.997 9.788 1.00 0.00 H ATOM 1000 N LEU A 610 13.278 -20.321 8.927 1.00 39.69 N ATOM 1001 CA LEU A 610 12.147 -20.629 8.064 1.00 39.96 C ATOM 1002 C LEU A 610 12.431 -21.882 7.235 1.00 43.43 C ATOM 1003 O LEU A 610 11.573 -22.761 7.114 1.00 43.06 O ATOM 1004 CB LEU A 610 11.858 -19.403 7.171 1.00 39.99 C ATOM 1005 CG LEU A 610 11.113 -19.649 5.860 1.00 39.99 C ATOM 1006 CD1 LEU A 610 9.630 -19.356 5.999 1.00 39.99 C ATOM 1007 CD2 LEU A 610 11.757 -18.885 4.740 1.00 39.99 C ATOM 1008 H LEU A 610 13.786 -19.430 8.754 1.00 0.00 H ATOM 1009 N LEU A 611 13.638 -21.964 6.689 1.00 39.69 N ATOM 1010 CA LEU A 611 14.068 -23.072 5.863 1.00 39.44 C ATOM 1011 C LEU A 611 14.536 -24.304 6.647 1.00 42.36 C ATOM 1012 O LEU A 611 14.749 -25.352 6.039 1.00 41.86 O ATOM 1013 CB LEU A 611 15.211 -22.607 4.940 1.00 39.86 C ATOM 1014 CG LEU A 611 14.936 -21.525 3.923 1.00 39.86 C ATOM 1015 CD1 LEU A 611 16.230 -21.107 3.287 1.00 39.86 C ATOM 1016 CD2 LEU A 611 13.908 -21.970 2.870 1.00 39.86 C ATOM 1017 H LEU A 611 14.311 -21.191 6.864 1.00 0.00 H ATOM 1018 N ALA A 612 14.743 -24.193 7.958 1.00 40.27 N ATOM 1019 CA ALA A 612 15.227 -25.356 8.708 1.00 40.53 C ATOM 1020 C ALA A 612 14.177 -26.381 9.068 1.00 44.86 C ATOM 1021 O ALA A 612 13.011 -26.050 9.305 1.00 44.09 O ATOM 1022 CB ALA A 612 15.960 -24.923 9.968 1.00 41.25 C ATOM 1023 H ALA A 612 14.563 -23.291 8.444 1.00 0.00 H ATOM 1024 N GLY A 613 14.640 -27.622 9.151 1.00 43.62 N ATOM 1025 CA GLY A 613 13.856 -28.769 9.572 1.00 43.85 C ATOM 1026 C GLY A 613 13.715 -28.676 11.073 1.00 48.43 C ATOM 1027 O GLY A 613 14.459 -27.939 11.731 1.00 47.74 O ATOM 1028 H GLY A 613 15.635 -27.784 8.896 1.00 0.00 H ATOM 1029 N GLY A 614 12.751 -29.394 11.615 1.00 48.17 N ATOM 1030 CA GLY A 614 12.482 -29.385 13.046 1.00 48.19 C ATOM 1031 C GLY A 614 13.705 -29.601 13.915 1.00 51.93 C ATOM 1032 O GLY A 614 14.002 -28.761 14.767 1.00 51.41 O ATOM 1033 H GLY A 614 12.161 -29.988 10.998 1.00 0.00 H ATOM 1034 N GLU A 615 14.432 -30.714 13.676 1.00 47.12 N ATOM 1035 CA GLU A 615 15.623 -31.150 14.420 1.00 46.78 C ATOM 1036 C GLU A 615 16.965 -30.411 14.125 1.00 49.43 C ATOM 1037 O GLU A 615 17.936 -30.622 14.865 1.00 49.18 O ATOM 1038 CB GLU A 615 15.823 -32.660 14.209 1.00 48.48 C ATOM 1039 CG GLU A 615 16.471 -33.020 12.887 1.00 55.70 C ATOM 1040 CD GLU A 615 15.526 -33.116 11.713 1.00 73.04 C ATOM 1041 OE1 GLU A 615 15.377 -34.238 11.174 1.00 64.11 O ATOM 1042 OE2 GLU A 615 14.940 -32.077 11.329 1.00 58.37 O ATOM 1043 H GLU A 615 14.120 -31.320 12.891 1.00 0.00 H ATOM 1044 N ASP A 616 17.037 -29.596 13.051 1.00 39.29 N ATOM 1045 CA ASP A 616 18.259 -28.873 12.681 1.00 37.78 C ATOM 1046 C ASP A 616 18.909 -28.153 13.871 1.00 39.83 C ATOM 1047 O ASP A 616 18.226 -27.532 14.683 1.00 39.29 O ATOM 1048 CB ASP A 616 17.981 -27.902 11.526 1.00 40.40 C ATOM 1049 CG ASP A 616 17.847 -28.540 10.147 1.00 51.35 C ATOM 1050 OD1 ASP A 616 17.439 -29.743 10.069 1.00 52.57 O ATOM 1051 OD2 ASP A 616 18.139 -27.843 9.138 1.00 57.35 O ATOM 1052 H ASP A 616 16.190 -29.475 12.460 1.00 0.00 H ATOM 1053 N VAL A 617 20.231 -28.272 13.978 1.00 32.68 N ATOM 1054 CA VAL A 617 21.032 -27.677 15.044 1.00 32.21 C ATOM 1055 C VAL A 617 21.232 -26.186 14.805 1.00 35.42 C ATOM 1056 O VAL A 617 21.631 -25.765 13.712 1.00 34.92 O ATOM 1057 CB VAL A 617 22.353 -28.464 15.275 1.00 36.05 C ATOM 1058 CG1 VAL A 617 23.431 -27.624 15.947 1.00 35.96 C ATOM 1059 CG2 VAL A 617 22.094 -29.731 16.076 1.00 35.87 C ATOM 1060 H VAL A 617 20.727 -28.827 13.252 1.00 0.00 H ATOM 1061 N ALA A 618 20.924 -25.404 15.870 1.00 33.06 N ATOM 1062 CA ALA A 618 21.014 -23.947 16.000 1.00 33.39 C ATOM 1063 C ALA A 618 20.698 -23.248 14.686 1.00 37.58 C ATOM 1064 O ALA A 618 21.605 -22.651 14.102 1.00 36.34 O ATOM 1065 CB ALA A 618 22.406 -23.558 16.503 1.00 34.22 C ATOM 1066 H ALA A 618 20.576 -25.908 16.710 1.00 0.00 H ATOM 1067 N PRO A 619 19.447 -23.340 14.152 1.00 34.62 N ATOM 1068 CA PRO A 619 19.173 -22.680 12.858 1.00 33.34 C ATOM 1069 C PRO A 619 19.341 -21.184 13.016 1.00 35.46 C ATOM 1070 O PRO A 619 18.993 -20.644 14.068 1.00 36.17 O ATOM 1071 CB PRO A 619 17.735 -23.093 12.531 1.00 34.65 C ATOM 1072 CG PRO A 619 17.129 -23.480 13.836 1.00 39.62 C ATOM 1073 CD PRO A 619 18.238 -24.008 14.688 1.00 35.63 C ATOM 1074 N GLY A 620 19.919 -20.552 12.016 1.00 29.20 N ATOM 1075 CA GLY A 620 20.188 -19.121 12.016 1.00 28.55 C ATOM 1076 C GLY A 620 21.340 -18.802 11.086 1.00 31.34 C ATOM 1077 O GLY A 620 22.090 -19.713 10.688 1.00 31.48 O ATOM 1078 H GLY A 620 20.199 -21.105 11.181 1.00 0.00 H ATOM 1079 N PRO A 621 21.516 -17.519 10.700 1.00 25.84 N ATOM 1080 CA PRO A 621 22.613 -17.180 9.781 1.00 24.62 C ATOM 1081 C PRO A 621 24.004 -17.423 10.324 1.00 26.60 C ATOM 1082 O PRO A 621 24.247 -17.299 11.533 1.00 26.21 O ATOM 1083 CB PRO A 621 22.401 -15.689 9.521 1.00 25.95 C ATOM 1084 CG PRO A 621 21.681 -15.199 10.728 1.00 30.52 C ATOM 1085 CD PRO A 621 20.745 -16.319 11.060 1.00 26.41 C ATOM 1086 N LEU A 622 24.926 -17.728 9.430 1.00 20.91 N ATOM 1087 CA LEU A 622 26.332 -17.905 9.805 1.00 20.06 C ATOM 1088 C LEU A 622 26.820 -16.491 10.188 1.00 23.17 C ATOM 1089 O LEU A 622 26.396 -15.507 9.578 1.00 22.13 O ATOM 1090 CB LEU A 622 27.185 -18.430 8.599 1.00 18.98 C ATOM 1091 CG LEU A 622 26.790 -19.760 7.927 1.00 23.15 C ATOM 1092 CD1 LEU A 622 27.264 -19.800 6.530 1.00 22.86 C ATOM 1093 CD2 LEU A 622 27.334 -20.961 8.693 1.00 24.05 C ATOM 1094 H LEU A 622 24.648 -17.846 8.435 1.00 0.00 H ATOM 1095 N GLY A 623 27.694 -16.406 11.175 1.00 21.58 N ATOM 1096 CA GLY A 623 28.247 -15.127 11.594 1.00 21.38 C ATOM 1097 C GLY A 623 29.555 -14.826 10.902 1.00 25.07 C ATOM 1098 O GLY A 623 30.059 -15.644 10.119 1.00 24.58 O ATOM 1099 H GLY A 623 27.994 -17.274 11.664 1.00 0.00 H ATOM 1100 N LEU A 624 30.121 -13.645 11.206 1.00 20.95 N ATOM 1101 CA LEU A 624 31.377 -13.153 10.648 1.00 21.47 C ATOM 1102 C LEU A 624 32.515 -14.167 10.720 1.00 26.17 C ATOM 1103 O LEU A 624 33.131 -14.458 9.705 1.00 27.33 O ATOM 1104 CB LEU A 624 31.752 -11.825 11.303 1.00 21.16 C ATOM 1105 CG LEU A 624 32.874 -10.981 10.697 1.00 25.80 C ATOM 1106 CD1 LEU A 624 32.922 -11.055 9.146 1.00 25.90 C ATOM 1107 CD2 LEU A 624 32.752 -9.559 11.162 1.00 26.01 C ATOM 1108 H LEU A 624 29.627 -13.037 11.890 1.00 0.00 H ATOM 1109 N GLY A 625 32.769 -14.719 11.889 1.00 23.62 N ATOM 1110 CA GLY A 625 33.827 -15.711 12.053 1.00 23.15 C ATOM 1111 C GLY A 625 33.727 -16.870 11.081 1.00 25.97 C ATOM 1112 O GLY A 625 34.738 -17.296 10.490 1.00 26.39 O ATOM 1113 H GLY A 625 32.202 -14.441 12.715 1.00 0.00 H ATOM 1114 N GLN A 626 32.486 -17.378 10.918 1.00 21.26 N ATOM 1115 CA GLN A 626 32.186 -18.504 10.044 1.00 20.20 C ATOM 1116 C GLN A 626 32.362 -18.126 8.594 1.00 24.85 C ATOM 1117 O GLN A 626 33.041 -18.851 7.850 1.00 25.83 O ATOM 1118 CB GLN A 626 30.773 -19.010 10.288 1.00 20.17 C ATOM 1119 CG GLN A 626 30.650 -19.854 11.541 1.00 23.62 C ATOM 1120 CD GLN A 626 29.221 -19.899 11.952 1.00 35.56 C ATOM 1121 OE1 GLN A 626 28.593 -18.863 12.171 1.00 32.45 O ATOM 1122 NE2 GLN A 626 28.669 -21.093 12.051 1.00 18.02 N ATOM 1123 HE22 GLN A 626 29.234 -21.945 11.858 1.00 0.00 H ATOM 1124 HE21 GLN A 626 27.669 -21.183 12.322 1.00 0.00 H ATOM 1125 H GLN A 626 31.703 -16.942 11.445 1.00 0.00 H ATOM 1126 N LEU A 627 31.769 -16.981 8.185 1.00 19.96 N ATOM 1127 CA LEU A 627 31.881 -16.468 6.825 1.00 19.76 C ATOM 1128 C LEU A 627 33.368 -16.283 6.466 1.00 24.92 C ATOM 1129 O LEU A 627 33.764 -16.588 5.339 1.00 25.59 O ATOM 1130 CB LEU A 627 31.103 -15.151 6.690 1.00 20.26 C ATOM 1131 CG LEU A 627 29.554 -15.192 6.799 1.00 24.23 C ATOM 1132 CD1 LEU A 627 28.976 -13.824 6.594 1.00 23.84 C ATOM 1133 CD2 LEU A 627 28.937 -16.083 5.741 1.00 24.14 C ATOM 1134 H LEU A 627 31.207 -16.441 8.873 1.00 0.00 H ATOM 1135 N LEU A 628 34.196 -15.836 7.453 1.00 19.55 N ATOM 1136 CA LEU A 628 35.632 -15.645 7.296 1.00 19.14 C ATOM 1137 C LEU A 628 36.345 -16.968 7.235 1.00 21.53 C ATOM 1138 O LEU A 628 37.311 -17.055 6.499 1.00 21.50 O ATOM 1139 CB LEU A 628 36.220 -14.779 8.412 1.00 19.38 C ATOM 1140 CG LEU A 628 35.861 -13.277 8.403 1.00 24.38 C ATOM 1141 CD1 LEU A 628 36.498 -12.546 9.605 1.00 24.59 C ATOM 1142 CD2 LEU A 628 36.295 -12.603 7.098 1.00 25.11 C ATOM 1143 H LEU A 628 33.775 -15.617 8.378 1.00 0.00 H ATOM 1144 N ALA A 629 35.890 -18.000 8.006 1.00 18.40 N ATOM 1145 CA ALA A 629 36.485 -19.340 8.018 1.00 17.86 C ATOM 1146 C ALA A 629 36.317 -20.011 6.649 1.00 22.49 C ATOM 1147 O ALA A 629 37.249 -20.674 6.169 1.00 22.71 O ATOM 1148 CB ALA A 629 35.844 -20.195 9.092 1.00 18.63 C ATOM 1149 H ALA A 629 35.071 -17.824 8.622 1.00 0.00 H ATOM 1150 N VAL A 630 35.136 -19.811 6.009 1.00 20.10 N ATOM 1151 CA VAL A 630 34.816 -20.366 4.687 1.00 19.95 C ATOM 1152 C VAL A 630 35.700 -19.668 3.626 1.00 23.64 C ATOM 1153 O VAL A 630 36.341 -20.333 2.823 1.00 23.02 O ATOM 1154 CB VAL A 630 33.290 -20.275 4.390 1.00 23.49 C ATOM 1155 CG1 VAL A 630 32.968 -20.671 2.956 1.00 23.49 C ATOM 1156 CG2 VAL A 630 32.478 -21.112 5.382 1.00 23.49 C ATOM 1157 H VAL A 630 34.415 -19.230 6.483 1.00 0.00 H ATOM 1158 N ALA A 631 35.756 -18.334 3.668 1.00 20.51 N ATOM 1159 CA ALA A 631 36.547 -17.512 2.769 1.00 20.43 C ATOM 1160 C ALA A 631 38.015 -17.902 2.806 1.00 25.01 C ATOM 1161 O ALA A 631 38.598 -18.125 1.769 1.00 25.25 O ATOM 1162 CB ALA A 631 36.387 -16.045 3.140 1.00 21.10 C ATOM 1163 H ALA A 631 35.193 -17.850 4.396 1.00 0.00 H ATOM 1164 N SER A 632 38.608 -17.986 3.981 1.00 22.95 N ATOM 1165 CA SER A 632 40.027 -18.308 4.179 1.00 23.00 C ATOM 1166 C SER A 632 40.419 -19.683 3.617 1.00 27.57 C ATOM 1167 O SER A 632 41.475 -19.817 3.014 1.00 28.20 O ATOM 1168 CB SER A 632 40.390 -18.173 5.653 1.00 27.19 C ATOM 1169 OG SER A 632 41.776 -18.381 5.853 1.00 37.24 O ATOM 1170 HG SER A 632 42.020 -19.290 5.547 1.00 0.00 H ATOM 1171 H SER A 632 38.030 -17.812 4.828 1.00 0.00 H ATOM 1172 N GLN A 633 39.544 -20.688 3.794 1.00 24.93 N ATOM 1173 CA GLN A 633 39.751 -22.050 3.316 1.00 23.86 C ATOM 1174 C GLN A 633 39.731 -22.114 1.798 1.00 27.68 C ATOM 1175 O GLN A 633 40.496 -22.894 1.237 1.00 27.65 O ATOM 1176 CB GLN A 633 38.660 -22.955 3.863 1.00 25.01 C ATOM 1177 CG GLN A 633 38.840 -23.338 5.303 1.00 25.01 C ATOM 1178 CD GLN A 633 37.692 -24.191 5.756 1.00 25.01 C ATOM 1179 OE1 GLN A 633 37.693 -25.427 5.604 1.00 25.01 O ATOM 1180 NE2 GLN A 633 36.684 -23.547 6.302 1.00 25.01 N ATOM 1181 HE22 GLN A 633 36.725 -22.513 6.410 1.00 0.00 H ATOM 1182 HE21 GLN A 633 35.846 -24.071 6.626 1.00 0.00 H ATOM 1183 H GLN A 633 38.662 -20.481 4.305 1.00 0.00 H ATOM 1184 N VAL A 634 38.822 -21.332 1.130 1.00 22.59 N ATOM 1185 CA VAL A 634 38.694 -21.274 -0.334 1.00 22.07 C ATOM 1186 C VAL A 634 39.975 -20.599 -0.879 1.00 25.91 C ATOM 1187 O VAL A 634 40.539 -21.073 -1.868 1.00 26.32 O ATOM 1188 CB VAL A 634 37.392 -20.576 -0.828 1.00 24.95 C ATOM 1189 CG1 VAL A 634 37.331 -20.514 -2.355 1.00 25.09 C ATOM 1190 CG2 VAL A 634 36.156 -21.274 -0.291 1.00 24.33 C ATOM 1191 H VAL A 634 38.181 -20.741 1.697 1.00 0.00 H ATOM 1192 N ALA A 635 40.450 -19.536 -0.205 1.00 18.64 N ATOM 1193 CA ALA A 635 41.651 -18.799 -0.570 1.00 18.78 C ATOM 1194 C ALA A 635 42.875 -19.718 -0.515 1.00 25.31 C ATOM 1195 O ALA A 635 43.725 -19.656 -1.405 1.00 25.70 O ATOM 1196 CB ALA A 635 41.838 -17.627 0.376 1.00 19.51 C ATOM 1197 H ALA A 635 39.923 -19.219 0.634 1.00 0.00 H ATOM 1198 N ALA A 636 42.940 -20.593 0.532 1.00 22.22 N ATOM 1199 CA ALA A 636 44.001 -21.567 0.782 1.00 21.63 C ATOM 1200 C ALA A 636 44.079 -22.596 -0.363 1.00 25.96 C ATOM 1201 O ALA A 636 45.166 -22.868 -0.875 1.00 25.99 O ATOM 1202 CB ALA A 636 43.765 -22.243 2.111 1.00 21.50 C ATOM 1203 H ALA A 636 42.159 -20.563 1.218 1.00 0.00 H ATOM 1204 N GLY A 637 42.934 -23.112 -0.792 1.00 22.68 N ATOM 1205 CA GLY A 637 42.879 -24.052 -1.900 1.00 22.31 C ATOM 1206 C GLY A 637 43.335 -23.366 -3.180 1.00 25.16 C ATOM 1207 O GLY A 637 43.964 -24.008 -4.016 1.00 24.34 O ATOM 1208 H GLY A 637 42.049 -22.836 -0.321 1.00 0.00 H ATOM 1209 N MET A 638 43.038 -22.035 -3.339 1.00 22.24 N ATOM 1210 CA MET A 638 43.424 -21.229 -4.508 1.00 20.88 C ATOM 1211 C MET A 638 44.894 -20.836 -4.480 1.00 25.17 C ATOM 1212 O MET A 638 45.485 -20.608 -5.534 1.00 24.87 O ATOM 1213 CB MET A 638 42.530 -19.992 -4.701 1.00 23.16 C ATOM 1214 CG MET A 638 41.127 -20.307 -5.157 1.00 26.61 C ATOM 1215 SD MET A 638 40.956 -21.588 -6.448 1.00 30.98 S ATOM 1216 CE MET A 638 41.443 -20.663 -7.883 1.00 27.65 C ATOM 1217 H MET A 638 42.504 -21.564 -2.581 1.00 0.00 H ATOM 1218 N VAL A 639 45.485 -20.754 -3.279 1.00 22.21 N ATOM 1219 CA VAL A 639 46.912 -20.449 -3.110 1.00 21.82 C ATOM 1220 C VAL A 639 47.681 -21.684 -3.648 1.00 27.23 C ATOM 1221 O VAL A 639 48.678 -21.512 -4.367 1.00 27.36 O ATOM 1222 CB VAL A 639 47.288 -20.113 -1.643 1.00 22.68 C ATOM 1223 CG1 VAL A 639 48.793 -20.157 -1.433 1.00 22.19 C ATOM 1224 CG2 VAL A 639 46.743 -18.759 -1.230 1.00 22.21 C ATOM 1225 H VAL A 639 44.907 -20.913 -2.429 1.00 0.00 H ATOM 1226 N TYR A 640 47.174 -22.911 -3.324 1.00 23.79 N ATOM 1227 CA TYR A 640 47.748 -24.169 -3.762 1.00 23.84 C ATOM 1228 C TYR A 640 47.763 -24.237 -5.281 1.00 27.71 C ATOM 1229 O TYR A 640 48.830 -24.455 -5.874 1.00 28.00 O ATOM 1230 CB TYR A 640 46.976 -25.346 -3.167 1.00 24.95 C ATOM 1231 CG TYR A 640 47.329 -26.705 -3.744 1.00 27.23 C ATOM 1232 CD1 TYR A 640 48.561 -27.304 -3.478 1.00 28.80 C ATOM 1233 CD2 TYR A 640 46.423 -27.406 -4.535 1.00 28.45 C ATOM 1234 CE1 TYR A 640 48.892 -28.548 -4.013 1.00 28.15 C ATOM 1235 CE2 TYR A 640 46.746 -28.655 -5.073 1.00 29.36 C ATOM 1236 CZ TYR A 640 47.974 -29.228 -4.788 1.00 36.61 C ATOM 1237 OH TYR A 640 48.299 -30.457 -5.304 1.00 40.99 O ATOM 1238 HH TYR A 640 49.206 -30.711 -5.001 1.00 0.00 H ATOM 1239 H TYR A 640 46.324 -22.945 -2.726 1.00 0.00 H ATOM 1240 N LEU A 641 46.597 -24.021 -5.918 1.00 26.89 N ATOM 1241 CA LEU A 641 46.489 -24.059 -7.370 1.00 27.33 C ATOM 1242 C LEU A 641 47.464 -23.085 -8.068 1.00 32.49 C ATOM 1243 O LEU A 641 48.142 -23.493 -9.022 1.00 32.33 O ATOM 1244 CB LEU A 641 45.033 -23.869 -7.851 1.00 27.88 C ATOM 1245 CG LEU A 641 44.014 -24.987 -7.457 1.00 31.84 C ATOM 1246 CD1 LEU A 641 42.605 -24.659 -7.953 1.00 31.06 C ATOM 1247 CD2 LEU A 641 44.485 -26.405 -7.927 1.00 34.01 C ATOM 1248 H LEU A 641 45.746 -23.821 -5.355 1.00 0.00 H ATOM 1249 N ALA A 642 47.568 -21.837 -7.554 1.00 27.68 N ATOM 1250 CA ALA A 642 48.436 -20.772 -8.078 1.00 28.32 C ATOM 1251 C ALA A 642 49.893 -21.191 -8.120 1.00 33.90 C ATOM 1252 O ALA A 642 50.565 -20.977 -9.139 1.00 33.84 O ATOM 1253 CB ALA A 642 48.270 -19.505 -7.259 1.00 28.33 C ATOM 1254 H ALA A 642 46.987 -21.613 -6.721 1.00 0.00 H ATOM 1255 N GLY A 643 50.343 -21.825 -7.037 1.00 30.90 N ATOM 1256 CA GLY A 643 51.697 -22.333 -6.880 1.00 31.21 C ATOM 1257 C GLY A 643 52.046 -23.390 -7.907 1.00 35.98 C ATOM 1258 O GLY A 643 53.188 -23.430 -8.381 1.00 36.13 O ATOM 1259 H GLY A 643 49.679 -21.966 -6.249 1.00 0.00 H ATOM 1260 N LEU A 644 51.057 -24.246 -8.267 1.00 32.37 N ATOM 1261 CA LEU A 644 51.198 -25.309 -9.261 1.00 31.74 C ATOM 1262 C LEU A 644 50.959 -24.778 -10.666 1.00 36.41 C ATOM 1263 O LEU A 644 50.912 -25.577 -11.599 1.00 36.51 O ATOM 1264 CB LEU A 644 50.180 -26.430 -9.010 1.00 31.38 C ATOM 1265 CG LEU A 644 50.308 -27.254 -7.740 1.00 36.00 C ATOM 1266 CD1 LEU A 644 49.310 -28.362 -7.757 1.00 35.93 C ATOM 1267 CD2 LEU A 644 51.705 -27.825 -7.589 1.00 38.16 C ATOM 1268 H LEU A 644 50.133 -24.138 -7.803 1.00 0.00 H ATOM 1269 N HIS A 645 50.781 -23.443 -10.825 1.00 34.08 N ATOM 1270 CA HIS A 645 50.503 -22.767 -12.098 1.00 33.72 C ATOM 1271 C HIS A 645 49.240 -23.332 -12.767 1.00 34.75 C ATOM 1272 O HIS A 645 49.140 -23.421 -13.991 1.00 33.68 O ATOM 1273 CB HIS A 645 51.730 -22.745 -13.014 1.00 36.26 C ATOM 1274 CG HIS A 645 52.854 -22.009 -12.367 1.00 40.74 C ATOM 1275 ND1 HIS A 645 52.940 -20.628 -12.432 1.00 43.08 N ATOM 1276 CD2 HIS A 645 53.859 -22.479 -11.591 1.00 43.69 C ATOM 1277 CE1 HIS A 645 54.009 -20.302 -11.720 1.00 43.17 C ATOM 1278 NE2 HIS A 645 54.588 -21.382 -11.183 1.00 43.67 N ATOM 1279 H HIS A 645 50.847 -22.849 -9.974 1.00 0.00 H ATOM 1280 N PHE A 646 48.271 -23.686 -11.920 1.00 26.70 N ATOM 1281 CA PHE A 646 46.980 -24.215 -12.306 1.00 25.27 C ATOM 1282 C PHE A 646 45.910 -23.093 -12.246 1.00 27.16 C ATOM 1283 O PHE A 646 45.799 -22.312 -11.278 1.00 26.54 O ATOM 1284 CB PHE A 646 46.619 -25.383 -11.396 1.00 26.00 C ATOM 1285 CG PHE A 646 45.439 -26.214 -11.820 1.00 26.56 C ATOM 1286 CD1 PHE A 646 45.617 -27.393 -12.519 1.00 29.40 C ATOM 1287 CD2 PHE A 646 44.143 -25.847 -11.467 1.00 27.39 C ATOM 1288 CE1 PHE A 646 44.518 -28.182 -12.877 1.00 29.78 C ATOM 1289 CE2 PHE A 646 43.051 -26.632 -11.833 1.00 29.35 C ATOM 1290 CZ PHE A 646 43.248 -27.795 -12.528 1.00 27.45 C ATOM 1291 H PHE A 646 48.458 -23.573 -10.903 1.00 0.00 H ATOM 1292 N VAL A 647 45.137 -23.026 -13.324 1.00 22.01 N ATOM 1293 CA VAL A 647 44.059 -22.067 -13.523 1.00 21.11 C ATOM 1294 C VAL A 647 42.795 -22.863 -13.467 1.00 25.22 C ATOM 1295 O VAL A 647 42.565 -23.723 -14.318 1.00 25.52 O ATOM 1296 CB VAL A 647 44.174 -21.303 -14.860 1.00 21.70 C ATOM 1297 CG1 VAL A 647 42.980 -20.381 -15.048 1.00 21.94 C ATOM 1298 CG2 VAL A 647 45.474 -20.531 -14.941 1.00 20.98 C ATOM 1299 H VAL A 647 45.315 -23.712 -14.085 1.00 0.00 H ATOM 1300 N HIS A 648 41.977 -22.567 -12.470 1.00 20.70 N ATOM 1301 CA HIS A 648 40.702 -23.211 -12.240 1.00 19.73 C ATOM 1302 C HIS A 648 39.702 -22.977 -13.396 1.00 22.41 C ATOM 1303 O HIS A 648 39.246 -23.933 -13.998 1.00 20.47 O ATOM 1304 CB HIS A 648 40.126 -22.773 -10.887 1.00 20.43 C ATOM 1305 CG HIS A 648 39.014 -23.648 -10.457 1.00 23.91 C ATOM 1306 ND1 HIS A 648 37.800 -23.644 -11.122 1.00 25.54 N ATOM 1307 CD2 HIS A 648 38.983 -24.575 -9.479 1.00 26.12 C ATOM 1308 CE1 HIS A 648 37.060 -24.553 -10.518 1.00 25.15 C ATOM 1309 NE2 HIS A 648 37.728 -25.135 -9.517 1.00 25.74 N ATOM 1310 H HIS A 648 42.270 -21.821 -11.807 1.00 0.00 H ATOM 1311 N ARG A 649 39.375 -21.706 -13.689 1.00 20.69 N ATOM 1312 CA ARG A 649 38.460 -21.209 -14.742 1.00 20.18 C ATOM 1313 C ARG A 649 36.989 -21.103 -14.329 1.00 23.20 C ATOM 1314 O ARG A 649 36.241 -20.309 -14.909 1.00 22.47 O ATOM 1315 CB ARG A 649 38.572 -22.022 -16.024 1.00 18.36 C ATOM 1316 CG ARG A 649 39.970 -22.128 -16.607 1.00 19.13 C ATOM 1317 CD ARG A 649 39.936 -23.257 -17.589 1.00 20.46 C ATOM 1318 NE ARG A 649 39.117 -22.903 -18.744 1.00 20.42 N ATOM 1319 CZ ARG A 649 39.581 -22.295 -19.826 1.00 30.37 C ATOM 1320 NH1 ARG A 649 40.865 -21.978 -19.919 1.00 11.28 N ATOM 1321 NH2 ARG A 649 38.767 -22.006 -20.830 1.00 16.61 N ATOM 1322 HE ARG A 649 38.105 -23.143 -18.716 1.00 0.00 H ATOM 1323 HH12 ARG A 649 41.222 -21.501 -20.771 1.00 0.00 H ATOM 1324 HH11 ARG A 649 41.515 -22.206 -19.140 1.00 0.00 H ATOM 1325 HH22 ARG A 649 39.136 -21.529 -21.677 1.00 0.00 H ATOM 1326 HH21 ARG A 649 37.759 -22.256 -20.771 1.00 0.00 H ATOM 1327 H ARG A 649 39.823 -20.976 -13.099 1.00 0.00 H ATOM 1328 N ASP A 650 36.561 -21.908 -13.333 1.00 22.06 N ATOM 1329 CA ASP A 650 35.172 -21.893 -12.882 1.00 20.92 C ATOM 1330 C ASP A 650 35.063 -21.888 -11.374 1.00 24.31 C ATOM 1331 O ASP A 650 34.239 -22.607 -10.816 1.00 23.33 O ATOM 1332 CB ASP A 650 34.341 -23.014 -13.533 1.00 23.18 C ATOM 1333 CG ASP A 650 32.833 -22.926 -13.351 1.00 33.33 C ATOM 1334 OD1 ASP A 650 32.333 -21.844 -12.942 1.00 32.76 O ATOM 1335 OD2 ASP A 650 32.161 -23.927 -13.591 1.00 39.07 O ATOM 1336 H ASP A 650 37.236 -22.554 -12.876 1.00 0.00 H ATOM 1337 N LEU A 651 35.874 -21.048 -10.705 1.00 21.11 N ATOM 1338 CA LEU A 651 35.791 -20.925 -9.255 1.00 20.82 C ATOM 1339 C LEU A 651 34.542 -20.099 -8.933 1.00 24.32 C ATOM 1340 O LEU A 651 34.359 -19.001 -9.471 1.00 23.98 O ATOM 1341 CB LEU A 651 37.046 -20.308 -8.661 1.00 20.56 C ATOM 1342 CG LEU A 651 36.991 -20.007 -7.185 1.00 25.06 C ATOM 1343 CD1 LEU A 651 36.937 -21.308 -6.323 1.00 24.96 C ATOM 1344 CD2 LEU A 651 38.127 -19.074 -6.797 1.00 26.37 C ATOM 1345 H LEU A 651 36.569 -20.479 -11.229 1.00 0.00 H ATOM 1346 N ALA A 652 33.653 -20.694 -8.120 1.00 18.73 N ATOM 1347 CA ALA A 652 32.377 -20.180 -7.655 1.00 18.98 C ATOM 1348 C ALA A 652 31.942 -21.052 -6.466 1.00 23.56 C ATOM 1349 O ALA A 652 32.408 -22.198 -6.334 1.00 23.15 O ATOM 1350 CB ALA A 652 31.349 -20.278 -8.769 1.00 19.26 C ATOM 1351 H ALA A 652 33.911 -21.643 -7.781 1.00 0.00 H ATOM 1352 N THR A 653 31.026 -20.540 -5.622 1.00 19.76 N ATOM 1353 CA THR A 653 30.566 -21.302 -4.469 1.00 19.79 C ATOM 1354 C THR A 653 29.968 -22.636 -4.869 1.00 24.79 C ATOM 1355 O THR A 653 30.109 -23.586 -4.102 1.00 25.93 O ATOM 1356 CB THR A 653 29.653 -20.499 -3.547 1.00 19.75 C ATOM 1357 OG1 THR A 653 28.496 -20.082 -4.274 1.00 20.03 O ATOM 1358 CG2 THR A 653 30.372 -19.338 -2.893 1.00 13.52 C ATOM 1359 HG1 THR A 653 28.774 -19.518 -5.039 1.00 0.00 H ATOM 1360 H THR A 653 30.642 -19.589 -5.796 1.00 0.00 H ATOM 1361 N ARG A 654 29.351 -22.744 -6.063 1.00 19.99 N ATOM 1362 CA ARG A 654 28.774 -24.022 -6.537 1.00 19.96 C ATOM 1363 C ARG A 654 29.880 -25.064 -6.764 1.00 23.98 C ATOM 1364 O ARG A 654 29.609 -26.248 -6.720 1.00 24.03 O ATOM 1365 CB ARG A 654 27.957 -23.835 -7.832 1.00 20.21 C ATOM 1366 CG ARG A 654 28.803 -23.411 -9.040 1.00 24.08 C ATOM 1367 CD ARG A 654 27.983 -23.059 -10.263 1.00 27.61 C ATOM 1368 NE ARG A 654 28.817 -22.367 -11.247 1.00 25.87 N ATOM 1369 CZ ARG A 654 29.045 -21.064 -11.236 1.00 38.66 C ATOM 1370 NH1 ARG A 654 28.494 -20.298 -10.308 1.00 25.52 N ATOM 1371 NH2 ARG A 654 29.835 -20.516 -12.144 1.00 26.12 N ATOM 1372 HE ARG A 654 29.257 -22.934 -12.000 1.00 0.00 H ATOM 1373 HH12 ARG A 654 28.676 -19.274 -10.303 1.00 0.00 H ATOM 1374 HH11 ARG A 654 27.879 -20.720 -9.583 1.00 0.00 H ATOM 1375 HH22 ARG A 654 30.010 -19.491 -12.130 1.00 0.00 H ATOM 1376 HH21 ARG A 654 30.281 -21.110 -12.872 1.00 0.00 H ATOM 1377 H ARG A 654 29.278 -21.903 -6.670 1.00 0.00 H ATOM 1378 N ASN A 655 31.117 -24.621 -7.024 1.00 20.99 N ATOM 1379 CA ASN A 655 32.222 -25.548 -7.253 1.00 20.72 C ATOM 1380 C ASN A 655 33.029 -25.733 -5.990 1.00 24.56 C ATOM 1381 O ASN A 655 34.234 -26.005 -6.039 1.00 23.72 O ATOM 1382 CB ASN A 655 33.067 -25.175 -8.484 1.00 19.24 C ATOM 1383 CG ASN A 655 32.446 -25.627 -9.791 1.00 32.90 C ATOM 1384 OD1 ASN A 655 31.843 -26.696 -9.895 1.00 27.32 O ATOM 1385 ND2 ASN A 655 32.587 -24.830 -10.826 1.00 20.16 N ATOM 1386 HD22 ASN A 655 33.099 -23.930 -10.724 1.00 0.00 H ATOM 1387 HD21 ASN A 655 32.187 -25.099 -11.748 1.00 0.00 H ATOM 1388 H ASN A 655 31.294 -23.597 -7.064 1.00 0.00 H ATOM 1389 N CYS A 656 32.333 -25.604 -4.843 1.00 21.12 N ATOM 1390 CA CYS A 656 32.917 -25.803 -3.522 1.00 21.36 C ATOM 1391 C CYS A 656 32.030 -26.696 -2.737 1.00 27.12 C ATOM 1392 O CYS A 656 30.797 -26.592 -2.839 1.00 26.48 O ATOM 1393 CB CYS A 656 33.146 -24.492 -2.788 1.00 20.73 C ATOM 1394 SG CYS A 656 34.305 -23.391 -3.606 1.00 24.45 S ATOM 1395 H CYS A 656 31.327 -25.349 -4.903 1.00 0.00 H ATOM 1396 N LEU A 657 32.649 -27.574 -1.936 1.00 24.39 N ATOM 1397 CA LEU A 657 31.906 -28.482 -1.084 1.00 24.65 C ATOM 1398 C LEU A 657 32.151 -28.218 0.388 1.00 28.59 C ATOM 1399 O LEU A 657 33.227 -27.751 0.781 1.00 28.43 O ATOM 1400 CB LEU A 657 32.120 -29.955 -1.440 1.00 24.35 C ATOM 1401 CG LEU A 657 31.834 -30.380 -2.882 1.00 28.82 C ATOM 1402 CD1 LEU A 657 32.189 -31.831 -3.092 1.00 28.43 C ATOM 1403 CD2 LEU A 657 30.411 -30.069 -3.307 1.00 29.70 C ATOM 1404 H LEU A 657 33.688 -27.605 -1.925 1.00 0.00 H ATOM 1405 N VAL A 658 31.107 -28.481 1.183 1.00 27.18 N ATOM 1406 CA VAL A 658 31.100 -28.323 2.620 1.00 27.33 C ATOM 1407 C VAL A 658 30.881 -29.669 3.263 1.00 31.70 C ATOM 1408 O VAL A 658 29.979 -30.428 2.881 1.00 31.47 O ATOM 1409 CB VAL A 658 30.056 -27.289 3.113 1.00 30.83 C ATOM 1410 CG1 VAL A 658 30.312 -26.896 4.569 1.00 30.20 C ATOM 1411 CG2 VAL A 658 30.046 -26.059 2.220 1.00 30.74 C ATOM 1412 H VAL A 658 30.235 -28.825 0.733 1.00 0.00 H ATOM 1413 N GLY A 659 31.723 -29.942 4.242 1.00 28.09 N ATOM 1414 CA GLY A 659 31.689 -31.143 5.066 1.00 28.16 C ATOM 1415 C GLY A 659 31.603 -30.760 6.529 1.00 31.84 C ATOM 1416 O GLY A 659 32.035 -29.671 6.913 1.00 31.27 O ATOM 1417 H GLY A 659 32.469 -29.245 4.441 1.00 0.00 H ATOM 1418 N GLN A 660 31.057 -31.657 7.350 1.00 26.60 N ATOM 1419 CA GLN A 660 30.874 -31.493 8.801 1.00 26.59 C ATOM 1420 C GLN A 660 32.075 -30.846 9.486 1.00 29.25 C ATOM 1421 O GLN A 660 33.236 -31.203 9.202 1.00 28.99 O ATOM 1422 CB GLN A 660 30.527 -32.834 9.454 1.00 27.66 C ATOM 1423 CG GLN A 660 29.047 -32.979 9.792 1.00 39.72 C ATOM 1424 CD GLN A 660 28.812 -34.076 10.805 1.00 55.73 C ATOM 1425 OE1 GLN A 660 27.956 -34.957 10.622 1.00 46.78 O ATOM 1426 NE2 GLN A 660 29.569 -34.046 11.902 1.00 44.14 N ATOM 1427 HE22 GLN A 660 30.277 -33.294 12.025 1.00 0.00 H ATOM 1428 HE21 GLN A 660 29.451 -34.774 12.635 1.00 0.00 H ATOM 1429 H GLN A 660 30.732 -32.550 6.928 1.00 0.00 H ATOM 1430 N GLY A 661 31.768 -29.873 10.342 1.00 23.76 N ATOM 1431 CA GLY A 661 32.768 -29.091 11.054 1.00 23.39 C ATOM 1432 C GLY A 661 33.210 -27.895 10.237 1.00 27.49 C ATOM 1433 O GLY A 661 34.329 -27.401 10.428 1.00 28.20 O ATOM 1434 H GLY A 661 30.764 -29.661 10.510 1.00 0.00 H ATOM 1435 N LEU A 662 32.308 -27.422 9.310 1.00 24.10 N ATOM 1436 CA LEU A 662 32.512 -26.287 8.399 1.00 24.35 C ATOM 1437 C LEU A 662 33.820 -26.441 7.595 1.00 27.48 C ATOM 1438 O LEU A 662 34.594 -25.487 7.486 1.00 28.09 O ATOM 1439 CB LEU A 662 32.488 -24.953 9.185 1.00 23.96 C ATOM 1440 CG LEU A 662 32.142 -23.686 8.416 1.00 29.11 C ATOM 1441 CD1 LEU A 662 30.640 -23.587 8.155 1.00 29.29 C ATOM 1442 CD2 LEU A 662 32.648 -22.453 9.150 1.00 30.71 C ATOM 1443 H LEU A 662 31.395 -27.915 9.249 1.00 0.00 H ATOM 1444 N VAL A 663 34.090 -27.656 7.063 1.00 23.71 N ATOM 1445 CA VAL A 663 35.306 -27.881 6.284 1.00 22.07 C ATOM 1446 C VAL A 663 34.865 -27.540 4.898 1.00 25.84 C ATOM 1447 O VAL A 663 33.824 -28.034 4.484 1.00 27.35 O ATOM 1448 CB VAL A 663 35.825 -29.330 6.406 1.00 23.90 C ATOM 1449 CG1 VAL A 663 37.003 -29.596 5.471 1.00 23.19 C ATOM 1450 CG2 VAL A 663 36.204 -29.628 7.844 1.00 23.52 C ATOM 1451 H VAL A 663 33.423 -28.440 7.211 1.00 0.00 H ATOM 1452 N VAL A 664 35.594 -26.652 4.210 1.00 23.58 N ATOM 1453 CA VAL A 664 35.256 -26.203 2.858 1.00 22.94 C ATOM 1454 C VAL A 664 36.376 -26.621 1.913 1.00 26.88 C ATOM 1455 O VAL A 664 37.561 -26.380 2.204 1.00 26.56 O ATOM 1456 CB VAL A 664 34.941 -24.665 2.798 1.00 25.69 C ATOM 1457 CG1 VAL A 664 34.489 -24.230 1.394 1.00 24.06 C ATOM 1458 CG2 VAL A 664 33.893 -24.271 3.849 1.00 26.05 C ATOM 1459 H VAL A 664 36.446 -26.260 4.660 1.00 0.00 H ATOM 1460 N LYS A 665 36.005 -27.266 0.789 1.00 25.36 N ATOM 1461 CA LYS A 665 36.978 -27.744 -0.203 1.00 24.84 C ATOM 1462 C LYS A 665 36.551 -27.383 -1.637 1.00 28.01 C ATOM 1463 O LYS A 665 35.358 -27.317 -1.916 1.00 27.70 O ATOM 1464 CB LYS A 665 37.146 -29.262 -0.060 1.00 26.40 C ATOM 1465 CG LYS A 665 37.803 -29.694 1.244 1.00 27.73 C ATOM 1466 CD LYS A 665 38.476 -31.042 1.099 1.00 35.91 C ATOM 1467 CE LYS A 665 38.720 -31.770 2.397 1.00 36.62 C ATOM 1468 NZ LYS A 665 39.317 -33.095 2.130 1.00 38.19 N ATOM 1469 HZ1 LYS A 665 38.668 -33.654 1.541 1.00 0.00 H ATOM 1470 HZ2 LYS A 665 40.221 -32.972 1.631 1.00 0.00 H ATOM 1471 HZ3 LYS A 665 39.481 -33.588 3.031 1.00 0.00 H ATOM 1472 H LYS A 665 34.993 -27.431 0.618 1.00 0.00 H ATOM 1473 N ILE A 666 37.521 -27.175 -2.543 1.00 24.13 N ATOM 1474 CA ILE A 666 37.283 -26.816 -3.955 1.00 23.48 C ATOM 1475 C ILE A 666 37.344 -28.013 -4.890 1.00 28.11 C ATOM 1476 O ILE A 666 38.280 -28.798 -4.811 1.00 28.47 O ATOM 1477 CB ILE A 666 38.283 -25.719 -4.474 1.00 25.51 C ATOM 1478 CG1 ILE A 666 38.364 -24.503 -3.546 1.00 25.53 C ATOM 1479 CG2 ILE A 666 37.965 -25.285 -5.949 1.00 26.43 C ATOM 1480 CD1 ILE A 666 39.643 -23.749 -3.730 1.00 30.79 C ATOM 1481 H ILE A 666 38.507 -27.274 -2.228 1.00 0.00 H ATOM 1482 N GLY A 667 36.379 -28.089 -5.808 1.00 24.22 N ATOM 1483 CA GLY A 667 36.305 -29.082 -6.873 1.00 24.20 C ATOM 1484 C GLY A 667 36.008 -28.374 -8.183 1.00 28.89 C ATOM 1485 O GLY A 667 36.303 -27.189 -8.333 1.00 27.92 O ATOM 1486 H GLY A 667 35.617 -27.382 -5.760 1.00 0.00 H ATOM 1487 N ASP A 668 35.419 -29.078 -9.141 1.00 26.91 N ATOM 1488 CA ASP A 668 35.004 -28.557 -10.455 1.00 27.36 C ATOM 1489 C ASP A 668 33.995 -29.594 -10.847 1.00 31.81 C ATOM 1490 O ASP A 668 34.372 -30.685 -11.277 1.00 32.98 O ATOM 1491 CB ASP A 668 36.179 -28.492 -11.455 1.00 28.91 C ATOM 1492 CG ASP A 668 35.844 -27.773 -12.743 1.00 41.71 C ATOM 1493 OD1 ASP A 668 36.547 -27.997 -13.746 1.00 46.08 O ATOM 1494 OD2 ASP A 668 34.899 -26.974 -12.745 1.00 41.39 O ATOM 1495 H ASP A 668 35.235 -30.083 -8.948 1.00 0.00 H ATOM 1496 N PHE A 669 32.718 -29.301 -10.618 1.00 26.54 N ATOM 1497 CA PHE A 669 31.703 -30.314 -10.828 1.00 25.97 C ATOM 1498 C PHE A 669 30.856 -30.150 -12.035 1.00 29.89 C ATOM 1499 O PHE A 669 30.457 -29.028 -12.365 1.00 30.92 O ATOM 1500 CB PHE A 669 30.809 -30.412 -9.575 1.00 26.40 C ATOM 1501 CG PHE A 669 31.647 -30.343 -8.315 1.00 26.40 C ATOM 1502 CD1 PHE A 669 32.535 -31.370 -7.991 1.00 26.40 C ATOM 1503 CD2 PHE A 669 31.597 -29.223 -7.487 1.00 26.40 C ATOM 1504 CE1 PHE A 669 33.334 -31.287 -6.855 1.00 26.40 C ATOM 1505 CE2 PHE A 669 32.400 -29.138 -6.354 1.00 26.40 C ATOM 1506 CZ PHE A 669 33.266 -30.165 -6.052 1.00 26.40 C ATOM 1507 H PHE A 669 32.450 -28.351 -10.290 1.00 0.00 H ATOM 1508 N GLY A 670 30.552 -31.293 -12.661 1.00 26.80 N ATOM 1509 CA GLY A 670 29.660 -31.400 -13.810 1.00 26.67 C ATOM 1510 C GLY A 670 28.215 -31.260 -13.368 1.00 32.86 C ATOM 1511 O GLY A 670 27.359 -30.818 -14.152 1.00 32.95 O ATOM 1512 H GLY A 670 30.983 -32.169 -12.302 1.00 0.00 H ATOM 1513 N MET A 671 27.934 -31.634 -12.086 1.00 29.88 N ATOM 1514 CA MET A 671 26.607 -31.497 -11.470 1.00 30.59 C ATOM 1515 C MET A 671 26.296 -30.000 -11.348 1.00 36.34 C ATOM 1516 O MET A 671 25.176 -29.602 -11.654 1.00 36.77 O ATOM 1517 CB MET A 671 26.534 -32.181 -10.094 1.00 32.53 C ATOM 1518 CG MET A 671 26.054 -33.610 -10.169 1.00 36.21 C ATOM 1519 SD MET A 671 26.122 -34.490 -8.588 1.00 40.16 S ATOM 1520 CE MET A 671 24.830 -33.710 -7.721 1.00 36.48 C ATOM 1521 H MET A 671 28.702 -32.039 -11.513 1.00 0.00 H ATOM 1522 N SER A 672 27.311 -29.170 -10.958 1.00 32.98 N ATOM 1523 CA SER A 672 27.226 -27.705 -10.838 1.00 32.73 C ATOM 1524 C SER A 672 26.797 -27.025 -12.142 1.00 36.71 C ATOM 1525 O SER A 672 26.150 -25.991 -12.079 1.00 36.25 O ATOM 1526 CB SER A 672 28.555 -27.117 -10.389 1.00 34.99 C ATOM 1527 OG SER A 672 28.683 -27.274 -8.990 1.00 38.96 O ATOM 1528 HG SER A 672 29.547 -26.892 -8.694 1.00 0.00 H ATOM 1529 H SER A 672 28.223 -29.613 -10.726 1.00 0.00 H ATOM 1530 N ARG A 673 27.156 -27.595 -13.314 1.00 35.23 N ATOM 1531 CA ARG A 673 26.783 -27.035 -14.613 1.00 35.13 C ATOM 1532 C ARG A 673 25.354 -27.359 -14.897 1.00 38.44 C ATOM 1533 O ARG A 673 24.715 -26.612 -15.627 1.00 37.60 O ATOM 1534 CB ARG A 673 27.665 -27.563 -15.755 1.00 42.88 C ATOM 1535 CG ARG A 673 28.916 -26.746 -16.016 1.00 42.88 C ATOM 1536 CD ARG A 673 30.030 -27.215 -15.115 1.00 42.88 C ATOM 1537 NE ARG A 673 31.319 -26.603 -15.434 1.00 42.88 N ATOM 1538 CZ ARG A 673 32.372 -26.620 -14.617 1.00 42.88 C ATOM 1539 NH1 ARG A 673 32.287 -27.197 -13.422 1.00 42.88 N ATOM 1540 NH2 ARG A 673 33.509 -26.029 -14.975 1.00 42.88 N ATOM 1541 HE ARG A 673 31.420 -26.126 -16.353 1.00 0.00 H ATOM 1542 HH12 ARG A 673 33.112 -27.207 -12.789 1.00 0.00 H ATOM 1543 HH11 ARG A 673 31.395 -27.639 -13.120 1.00 0.00 H ATOM 1544 HH22 ARG A 673 34.328 -26.045 -14.334 1.00 0.00 H ATOM 1545 HH21 ARG A 673 33.579 -25.551 -15.896 1.00 0.00 H ATOM 1546 H ARG A 673 27.721 -28.468 -13.291 1.00 0.00 H ATOM 1547 N ASP A 674 24.841 -28.472 -14.338 1.00 31.75 N ATOM 1548 CA ASP A 674 23.455 -28.872 -14.549 1.00 31.26 C ATOM 1549 C ASP A 674 22.526 -28.155 -13.561 1.00 32.97 C ATOM 1550 O ASP A 674 21.650 -27.404 -13.974 1.00 32.19 O ATOM 1551 CB ASP A 674 23.325 -30.395 -14.473 1.00 33.91 C ATOM 1552 CG ASP A 674 21.901 -30.880 -14.525 1.00 47.82 C ATOM 1553 OD1 ASP A 674 21.208 -30.575 -15.522 1.00 49.03 O ATOM 1554 OD2 ASP A 674 21.468 -31.556 -13.562 1.00 56.03 O ATOM 1555 H ASP A 674 25.451 -29.063 -13.738 1.00 0.00 H ATOM 1556 N ILE A 675 22.745 -28.373 -12.258 1.00 29.44 N ATOM 1557 CA ILE A 675 21.999 -27.790 -11.145 1.00 29.46 C ATOM 1558 C ILE A 675 21.977 -26.273 -11.260 1.00 32.74 C ATOM 1559 O ILE A 675 20.935 -25.670 -11.022 1.00 33.28 O ATOM 1560 CB ILE A 675 22.601 -28.241 -9.778 1.00 31.23 C ATOM 1561 CG1 ILE A 675 22.560 -29.775 -9.615 1.00 31.43 C ATOM 1562 CG2 ILE A 675 21.923 -27.524 -8.594 1.00 32.56 C ATOM 1563 CD1 ILE A 675 23.540 -30.309 -8.600 1.00 37.66 C ATOM 1564 H ILE A 675 23.522 -29.020 -12.014 1.00 0.00 H ATOM 1565 N TYR A 676 23.115 -25.654 -11.621 1.00 30.59 N ATOM 1566 CA TYR A 676 23.199 -24.208 -11.738 1.00 29.90 C ATOM 1567 C TYR A 676 23.414 -23.776 -13.158 1.00 33.65 C ATOM 1568 O TYR A 676 24.231 -22.884 -13.374 1.00 34.27 O ATOM 1569 CB TYR A 676 24.324 -23.681 -10.844 1.00 30.47 C ATOM 1570 CG TYR A 676 24.128 -23.993 -9.382 1.00 30.44 C ATOM 1571 CD1 TYR A 676 23.320 -23.188 -8.579 1.00 31.99 C ATOM 1572 CD2 TYR A 676 24.757 -25.087 -8.791 1.00 30.76 C ATOM 1573 CE1 TYR A 676 23.142 -23.466 -7.229 1.00 32.13 C ATOM 1574 CE2 TYR A 676 24.591 -25.370 -7.437 1.00 31.62 C ATOM 1575 CZ TYR A 676 23.773 -24.561 -6.665 1.00 37.69 C ATOM 1576 OH TYR A 676 23.595 -24.827 -5.339 1.00 38.77 O ATOM 1577 HH TYR A 676 24.469 -24.791 -4.876 1.00 0.00 H ATOM 1578 H TYR A 676 23.959 -26.227 -11.822 1.00 0.00 H ATOM 1579 N SER A 677 22.698 -24.386 -14.140 1.00 32.31 N ATOM 1580 CA SER A 677 22.824 -24.045 -15.578 1.00 32.29 C ATOM 1581 C SER A 677 22.649 -22.540 -15.902 1.00 35.31 C ATOM 1582 O SER A 677 23.245 -22.060 -16.866 1.00 34.85 O ATOM 1583 CB SER A 677 21.870 -24.875 -16.427 1.00 37.11 C ATOM 1584 OG SER A 677 20.536 -24.412 -16.281 1.00 45.96 O ATOM 1585 HG SER A 677 19.933 -24.964 -16.840 1.00 0.00 H ATOM 1586 H SER A 677 22.026 -25.132 -13.868 1.00 0.00 H ATOM 1587 N THR A 678 21.844 -21.818 -15.076 1.00 31.50 N ATOM 1588 CA THR A 678 21.533 -20.391 -15.151 1.00 31.41 C ATOM 1589 C THR A 678 22.771 -19.479 -14.913 1.00 36.45 C ATOM 1590 O THR A 678 22.791 -18.311 -15.332 1.00 35.91 O ATOM 1591 CB THR A 678 20.382 -20.089 -14.182 1.00 38.91 C ATOM 1592 OG1 THR A 678 19.985 -18.728 -14.340 1.00 43.47 O ATOM 1593 CG2 THR A 678 20.744 -20.373 -12.709 1.00 33.51 C ATOM 1594 HG1 THR A 678 20.753 -18.136 -14.141 1.00 0.00 H ATOM 1595 H THR A 678 21.396 -22.344 -14.298 1.00 0.00 H ATOM 1596 N ASP A 679 23.789 -20.020 -14.212 1.00 31.70 N ATOM 1597 CA ASP A 679 25.052 -19.367 -13.901 1.00 31.19 C ATOM 1598 C ASP A 679 25.991 -19.368 -15.146 1.00 35.02 C ATOM 1599 O ASP A 679 27.050 -18.750 -15.108 1.00 33.17 O ATOM 1600 CB ASP A 679 25.718 -20.051 -12.677 1.00 32.24 C ATOM 1601 CG ASP A 679 25.155 -19.725 -11.283 1.00 33.54 C ATOM 1602 OD1 ASP A 679 24.280 -18.823 -11.179 1.00 32.86 O ATOM 1603 OD2 ASP A 679 25.605 -20.360 -10.296 1.00 34.18 O ATOM 1604 H ASP A 679 23.660 -20.991 -13.862 1.00 0.00 H ATOM 1605 N TYR A 680 25.608 -20.042 -16.247 1.00 30.88 N ATOM 1606 CA TYR A 680 26.429 -20.090 -17.466 1.00 31.66 C ATOM 1607 C TYR A 680 25.716 -19.466 -18.662 1.00 39.68 C ATOM 1608 O TYR A 680 24.488 -19.498 -18.744 1.00 39.45 O ATOM 1609 CB TYR A 680 26.898 -21.517 -17.804 1.00 31.09 C ATOM 1610 CG TYR A 680 27.622 -22.196 -16.674 1.00 29.95 C ATOM 1611 CD1 TYR A 680 26.919 -22.784 -15.625 1.00 31.30 C ATOM 1612 CD2 TYR A 680 29.008 -22.240 -16.636 1.00 29.74 C ATOM 1613 CE1 TYR A 680 27.581 -23.377 -14.559 1.00 30.09 C ATOM 1614 CE2 TYR A 680 29.683 -22.845 -15.579 1.00 30.01 C ATOM 1615 CZ TYR A 680 28.963 -23.419 -14.547 1.00 31.72 C ATOM 1616 OH TYR A 680 29.603 -24.038 -13.504 1.00 28.44 O ATOM 1617 HH TYR A 680 30.189 -23.386 -13.044 1.00 0.00 H ATOM 1618 H TYR A 680 24.699 -20.547 -16.235 1.00 0.00 H ATOM 1619 N TYR A 681 26.514 -18.904 -19.582 1.00 38.87 N ATOM 1620 CA TYR A 681 26.101 -18.226 -20.804 1.00 41.00 C ATOM 1621 C TYR A 681 26.716 -18.890 -22.020 1.00 47.29 C ATOM 1622 O TYR A 681 27.930 -19.103 -22.050 1.00 46.68 O ATOM 1623 CB TYR A 681 26.531 -16.754 -20.726 1.00 42.66 C ATOM 1624 CG TYR A 681 26.097 -15.908 -21.897 1.00 46.10 C ATOM 1625 CD1 TYR A 681 24.759 -15.569 -22.079 1.00 48.30 C ATOM 1626 CD2 TYR A 681 27.026 -15.409 -22.804 1.00 47.46 C ATOM 1627 CE1 TYR A 681 24.354 -14.764 -23.142 1.00 49.63 C ATOM 1628 CE2 TYR A 681 26.631 -14.612 -23.879 1.00 48.79 C ATOM 1629 CZ TYR A 681 25.293 -14.288 -24.042 1.00 58.11 C ATOM 1630 OH TYR A 681 24.882 -13.505 -25.102 1.00 63.95 O ATOM 1631 HH TYR A 681 23.901 -13.379 -25.057 1.00 0.00 H ATOM 1632 H TYR A 681 27.537 -18.958 -19.404 1.00 0.00 H ATOM 1633 N ARG A 682 25.874 -19.215 -23.020 1.00 48.45 N ATOM 1634 CA ARG A 682 26.298 -19.849 -24.276 1.00 49.18 C ATOM 1635 C ARG A 682 26.817 -18.808 -25.274 1.00 54.04 C ATOM 1636 O ARG A 682 26.102 -17.843 -25.596 1.00 53.75 O ATOM 1637 CB ARG A 682 25.165 -20.676 -24.915 1.00 47.13 C ATOM 1638 H ARG A 682 24.863 -19.005 -22.896 1.00 0.00 H ATOM 1639 N VAL A 683 28.078 -19.013 -25.746 1.00 54.07 N ATOM 1640 CA VAL A 683 28.797 -18.205 -26.743 1.00 68.72 C ATOM 1641 C VAL A 683 30.161 -18.846 -27.056 1.00 89.91 C ATOM 1642 O VAL A 683 30.213 -19.861 -27.750 1.00 61.80 O ATOM 1643 CB VAL A 683 28.887 -16.680 -26.424 1.00 72.93 C ATOM 1644 CG1 VAL A 683 30.090 -16.337 -25.533 1.00 72.93 C ATOM 1645 CG2 VAL A 683 28.858 -15.842 -27.711 1.00 72.93 C ATOM 1646 H VAL A 683 28.589 -19.832 -25.359 1.00 0.00 H TER 1647 VAL A 683 ATOM 1648 N ARG A 686 29.775 -25.612 -28.575 1.00 71.41 N ATOM 1649 CA ARG A 686 29.138 -24.626 -27.705 1.00 70.88 C ATOM 1650 C ARG A 686 29.846 -24.588 -26.349 1.00 74.28 C ATOM 1651 O ARG A 686 29.947 -25.620 -25.667 1.00 74.06 O ATOM 1652 CB ARG A 686 27.639 -24.926 -27.532 1.00 70.34 C ATOM 1653 HN3 ARG A 686 29.718 -26.551 -28.132 1.00 0.00 H ATOM 1654 HN2 ARG A 686 30.773 -25.354 -28.717 1.00 0.00 H ATOM 1655 HN1 ARG A 686 29.286 -25.630 -29.493 1.00 0.00 H ATOM 1656 N THR A 687 30.352 -23.398 -25.972 1.00 68.17 N ATOM 1657 CA THR A 687 31.053 -23.195 -24.705 1.00 66.76 C ATOM 1658 C THR A 687 30.184 -22.361 -23.770 1.00 66.88 C ATOM 1659 O THR A 687 29.759 -21.255 -24.122 1.00 66.89 O ATOM 1660 CB THR A 687 32.476 -22.627 -24.914 1.00 79.34 C ATOM 1661 OG1 THR A 687 32.416 -21.239 -25.264 1.00 78.43 O ATOM 1662 CG2 THR A 687 33.296 -23.418 -25.944 1.00 78.42 C ATOM 1663 HG1 THR A 687 31.972 -20.735 -24.537 1.00 0.00 H ATOM 1664 H THR A 687 30.239 -22.586 -26.612 1.00 0.00 H ATOM 1665 N MET A 688 29.903 -22.914 -22.589 1.00 60.13 N ATOM 1666 CA MET A 688 29.079 -22.291 -21.552 1.00 58.10 C ATOM 1667 C MET A 688 30.008 -21.584 -20.607 1.00 56.03 C ATOM 1668 O MET A 688 30.757 -22.254 -19.895 1.00 55.33 O ATOM 1669 CB MET A 688 28.312 -23.370 -20.791 1.00 61.65 C ATOM 1670 CG MET A 688 27.400 -24.158 -21.661 1.00 61.65 C ATOM 1671 SD MET A 688 25.812 -23.337 -21.772 1.00 61.65 S ATOM 1672 CE MET A 688 25.022 -24.001 -20.208 1.00 61.65 C ATOM 1673 H MET A 688 30.298 -23.856 -22.391 1.00 0.00 H ATOM 1674 N LEU A 689 29.988 -20.240 -20.597 1.00 46.78 N ATOM 1675 CA LEU A 689 30.902 -19.503 -19.722 1.00 44.15 C ATOM 1676 C LEU A 689 30.235 -18.919 -18.481 1.00 40.34 C ATOM 1677 O LEU A 689 29.121 -18.409 -18.596 1.00 38.22 O ATOM 1678 CB LEU A 689 31.681 -18.426 -20.492 1.00 44.54 C ATOM 1679 CG LEU A 689 32.564 -18.972 -21.624 1.00 49.51 C ATOM 1680 CD1 LEU A 689 31.989 -18.603 -23.009 1.00 49.91 C ATOM 1681 CD2 LEU A 689 34.021 -18.570 -21.449 1.00 50.61 C ATOM 1682 H LEU A 689 29.324 -19.724 -21.210 1.00 0.00 H ATOM 1683 N PRO A 690 30.906 -18.981 -17.283 1.00 32.10 N ATOM 1684 CA PRO A 690 30.307 -18.401 -16.065 1.00 30.05 C ATOM 1685 C PRO A 690 30.610 -16.890 -16.007 1.00 31.10 C ATOM 1686 O PRO A 690 31.343 -16.423 -15.135 1.00 29.97 O ATOM 1687 CB PRO A 690 30.985 -19.201 -14.959 1.00 30.60 C ATOM 1688 CG PRO A 690 32.296 -19.575 -15.519 1.00 35.04 C ATOM 1689 CD PRO A 690 32.237 -19.554 -16.990 1.00 31.33 C ATOM 1690 N ILE A 691 30.034 -16.138 -16.965 1.00 25.40 N ATOM 1691 CA ILE A 691 30.238 -14.720 -17.239 1.00 25.69 C ATOM 1692 C ILE A 691 30.219 -13.817 -15.987 1.00 29.46 C ATOM 1693 O ILE A 691 31.050 -12.898 -15.900 1.00 29.08 O ATOM 1694 CB ILE A 691 29.294 -14.183 -18.363 1.00 29.55 C ATOM 1695 CG1 ILE A 691 27.819 -14.571 -18.131 1.00 29.55 C ATOM 1696 CG2 ILE A 691 29.765 -14.649 -19.762 1.00 29.55 C ATOM 1697 CD1 ILE A 691 26.880 -13.457 -18.158 1.00 29.55 C ATOM 1698 H ILE A 691 29.360 -16.630 -17.586 1.00 0.00 H ATOM 1699 N ARG A 692 29.317 -14.091 -15.019 1.00 25.69 N ATOM 1700 CA ARG A 692 29.162 -13.304 -13.786 1.00 24.55 C ATOM 1701 C ARG A 692 30.364 -13.399 -12.830 1.00 26.37 C ATOM 1702 O ARG A 692 30.529 -12.511 -11.984 1.00 25.30 O ATOM 1703 CB ARG A 692 27.835 -13.635 -13.065 1.00 25.29 C ATOM 1704 CG ARG A 692 26.573 -13.265 -13.868 1.00 26.97 C ATOM 1705 CD ARG A 692 25.314 -13.984 -13.364 1.00 30.26 C ATOM 1706 NE ARG A 692 24.211 -13.911 -14.333 1.00 24.78 N ATOM 1707 CZ ARG A 692 23.329 -12.909 -14.432 1.00 34.04 C ATOM 1708 NH1 ARG A 692 23.396 -11.869 -13.609 1.00 25.31 N ATOM 1709 NH2 ARG A 692 22.376 -12.945 -15.350 1.00 21.67 N ATOM 1710 HE ARG A 692 24.107 -14.704 -14.997 1.00 0.00 H ATOM 1711 HH12 ARG A 692 22.707 -11.095 -13.692 1.00 0.00 H ATOM 1712 HH11 ARG A 692 24.138 -11.829 -12.881 1.00 0.00 H ATOM 1713 HH22 ARG A 692 21.694 -12.163 -15.422 1.00 0.00 H ATOM 1714 HH21 ARG A 692 22.310 -13.755 -15.999 1.00 0.00 H ATOM 1715 H ARG A 692 28.692 -14.911 -15.154 1.00 0.00 H ATOM 1716 N TRP A 693 31.210 -14.434 -12.969 1.00 20.65 N ATOM 1717 CA TRP A 693 32.424 -14.602 -12.130 1.00 21.17 C ATOM 1718 C TRP A 693 33.711 -14.200 -12.875 1.00 26.74 C ATOM 1719 O TRP A 693 34.779 -14.124 -12.277 1.00 26.86 O ATOM 1720 CB TRP A 693 32.558 -16.053 -11.643 1.00 18.93 C ATOM 1721 CG TRP A 693 31.561 -16.400 -10.585 1.00 18.98 C ATOM 1722 CD1 TRP A 693 31.792 -16.507 -9.247 1.00 22.37 C ATOM 1723 CD2 TRP A 693 30.167 -16.675 -10.778 1.00 18.88 C ATOM 1724 NE1 TRP A 693 30.628 -16.819 -8.590 1.00 21.59 N ATOM 1725 CE2 TRP A 693 29.608 -16.916 -9.505 1.00 22.89 C ATOM 1726 CE3 TRP A 693 29.324 -16.717 -11.904 1.00 19.63 C ATOM 1727 CZ2 TRP A 693 28.239 -17.192 -9.325 1.00 22.05 C ATOM 1728 CZ3 TRP A 693 27.970 -16.999 -11.721 1.00 20.96 C ATOM 1729 CH2 TRP A 693 27.444 -17.221 -10.446 1.00 21.70 C ATOM 1730 HE1 TRP A 693 30.533 -16.959 -7.564 1.00 0.00 H ATOM 1731 H TRP A 693 31.006 -15.149 -13.696 1.00 0.00 H ATOM 1732 N MET A 694 33.597 -13.949 -14.170 1.00 21.02 N ATOM 1733 CA MET A 694 34.688 -13.626 -15.073 1.00 20.62 C ATOM 1734 C MET A 694 35.081 -12.157 -15.151 1.00 23.28 C ATOM 1735 O MET A 694 34.198 -11.295 -15.189 1.00 22.22 O ATOM 1736 CB MET A 694 34.317 -14.122 -16.462 1.00 22.49 C ATOM 1737 CG MET A 694 34.511 -15.574 -16.613 1.00 26.37 C ATOM 1738 SD MET A 694 33.615 -16.345 -17.967 1.00 30.86 S ATOM 1739 CE MET A 694 34.171 -15.404 -19.356 1.00 27.59 C ATOM 1740 H MET A 694 32.641 -13.986 -14.577 1.00 0.00 H ATOM 1741 N PRO A 695 36.397 -11.847 -15.254 1.00 19.61 N ATOM 1742 CA PRO A 695 36.808 -10.438 -15.416 1.00 18.74 C ATOM 1743 C PRO A 695 36.571 -9.973 -16.871 1.00 23.22 C ATOM 1744 O PRO A 695 36.245 -10.803 -17.740 1.00 22.13 O ATOM 1745 CB PRO A 695 38.313 -10.474 -15.089 1.00 19.90 C ATOM 1746 CG PRO A 695 38.732 -11.852 -15.329 1.00 24.10 C ATOM 1747 CD PRO A 695 37.561 -12.755 -15.261 1.00 20.05 C ATOM 1748 N PRO A 696 36.792 -8.695 -17.221 1.00 18.03 N ATOM 1749 CA PRO A 696 36.552 -8.281 -18.620 1.00 17.71 C ATOM 1750 C PRO A 696 37.383 -8.972 -19.716 1.00 21.82 C ATOM 1751 O PRO A 696 36.855 -9.244 -20.796 1.00 21.91 O ATOM 1752 CB PRO A 696 36.824 -6.778 -18.585 1.00 19.17 C ATOM 1753 CG PRO A 696 36.585 -6.394 -17.171 1.00 23.73 C ATOM 1754 CD PRO A 696 37.155 -7.537 -16.382 1.00 19.07 C ATOM 1755 N GLU A 697 38.669 -9.260 -19.456 1.00 18.43 N ATOM 1756 CA GLU A 697 39.539 -9.865 -20.468 1.00 18.81 C ATOM 1757 C GLU A 697 39.112 -11.279 -20.811 1.00 22.22 C ATOM 1758 O GLU A 697 39.348 -11.724 -21.925 1.00 22.51 O ATOM 1759 CB GLU A 697 41.024 -9.764 -20.067 1.00 19.99 C ATOM 1760 CG GLU A 697 41.447 -10.679 -18.924 1.00 29.12 C ATOM 1761 CD GLU A 697 41.299 -10.239 -17.474 1.00 38.39 C ATOM 1762 OE1 GLU A 697 40.862 -9.090 -17.189 1.00 20.32 O ATOM 1763 OE2 GLU A 697 41.659 -11.077 -16.612 1.00 18.45 O ATOM 1764 H GLU A 697 39.056 -9.049 -18.514 1.00 0.00 H ATOM 1765 N SER A 698 38.470 -11.971 -19.849 1.00 19.54 N ATOM 1766 CA SER A 698 37.984 -13.333 -19.980 1.00 18.60 C ATOM 1767 C SER A 698 36.676 -13.298 -20.719 1.00 23.62 C ATOM 1768 O SER A 698 36.444 -14.136 -21.592 1.00 23.58 O ATOM 1769 CB SER A 698 37.836 -13.989 -18.612 1.00 19.98 C ATOM 1770 OG SER A 698 39.091 -14.136 -17.956 1.00 22.37 O ATOM 1771 HG SER A 698 39.687 -14.701 -18.509 1.00 0.00 H ATOM 1772 H SER A 698 38.310 -11.491 -18.940 1.00 0.00 H ATOM 1773 N ILE A 699 35.806 -12.322 -20.398 1.00 20.92 N ATOM 1774 CA ILE A 699 34.531 -12.197 -21.109 1.00 21.07 C ATOM 1775 C ILE A 699 34.843 -11.822 -22.549 1.00 24.12 C ATOM 1776 O ILE A 699 34.386 -12.516 -23.434 1.00 23.70 O ATOM 1777 CB ILE A 699 33.569 -11.205 -20.432 1.00 23.58 C ATOM 1778 CG1 ILE A 699 33.186 -11.704 -19.036 1.00 23.93 C ATOM 1779 CG2 ILE A 699 32.344 -10.982 -21.294 1.00 24.29 C ATOM 1780 CD1 ILE A 699 32.319 -10.770 -18.236 1.00 27.05 C ATOM 1781 H ILE A 699 36.041 -11.651 -19.639 1.00 0.00 H ATOM 1782 N LEU A 700 35.672 -10.781 -22.771 1.00 20.39 N ATOM 1783 CA LEU A 700 36.048 -10.295 -24.088 1.00 20.33 C ATOM 1784 C LEU A 700 36.914 -11.230 -24.937 1.00 24.74 C ATOM 1785 O LEU A 700 36.579 -11.437 -26.107 1.00 24.11 O ATOM 1786 CB LEU A 700 36.723 -8.911 -24.008 1.00 20.22 C ATOM 1787 CG LEU A 700 35.828 -7.721 -23.538 1.00 25.37 C ATOM 1788 CD1 LEU A 700 36.571 -6.413 -23.586 1.00 25.51 C ATOM 1789 CD2 LEU A 700 34.554 -7.600 -24.341 1.00 26.96 C ATOM 1790 H LEU A 700 36.069 -10.293 -21.943 1.00 0.00 H ATOM 1791 N TYR A 701 38.017 -11.785 -24.385 1.00 22.45 N ATOM 1792 CA TYR A 701 38.918 -12.604 -25.195 1.00 22.84 C ATOM 1793 C TYR A 701 39.256 -14.007 -24.689 1.00 24.89 C ATOM 1794 O TYR A 701 40.213 -14.576 -25.197 1.00 25.33 O ATOM 1795 CB TYR A 701 40.239 -11.838 -25.434 1.00 24.77 C ATOM 1796 CG TYR A 701 40.102 -10.359 -25.740 1.00 27.32 C ATOM 1797 CD1 TYR A 701 40.371 -9.401 -24.770 1.00 29.19 C ATOM 1798 CD2 TYR A 701 39.739 -9.919 -27.010 1.00 28.47 C ATOM 1799 CE1 TYR A 701 40.256 -8.037 -25.050 1.00 30.38 C ATOM 1800 CE2 TYR A 701 39.629 -8.559 -27.304 1.00 29.56 C ATOM 1801 CZ TYR A 701 39.892 -7.620 -26.324 1.00 39.15 C ATOM 1802 OH TYR A 701 39.787 -6.273 -26.607 1.00 43.37 O ATOM 1803 HH TYR A 701 40.009 -5.749 -25.797 1.00 0.00 H ATOM 1804 H TYR A 701 38.226 -11.628 -23.378 1.00 0.00 H ATOM 1805 N ARG A 702 38.481 -14.586 -23.748 1.00 23.51 N ATOM 1806 CA ARG A 702 38.731 -15.938 -23.187 1.00 22.86 C ATOM 1807 C ARG A 702 40.182 -16.142 -22.670 1.00 25.17 C ATOM 1808 O ARG A 702 40.803 -17.185 -22.922 1.00 24.99 O ATOM 1809 CB ARG A 702 38.326 -17.045 -24.156 1.00 23.92 C ATOM 1810 CG ARG A 702 36.812 -17.127 -24.278 1.00 34.07 C ATOM 1811 CD ARG A 702 36.342 -18.306 -25.097 1.00 41.78 C ATOM 1812 NE ARG A 702 37.007 -19.553 -24.722 1.00 49.30 N ATOM 1813 CZ ARG A 702 36.991 -20.656 -25.462 1.00 61.29 C ATOM 1814 NH1 ARG A 702 36.339 -20.676 -26.622 1.00 44.88 N ATOM 1815 NH2 ARG A 702 37.625 -21.748 -25.050 1.00 38.82 N ATOM 1816 HE ARG A 702 37.524 -19.578 -23.820 1.00 0.00 H ATOM 1817 HH12 ARG A 702 36.329 -21.542 -27.198 1.00 0.00 H ATOM 1818 HH11 ARG A 702 35.839 -19.826 -26.952 1.00 0.00 H ATOM 1819 HH22 ARG A 702 37.610 -22.609 -25.633 1.00 0.00 H ATOM 1820 HH21 ARG A 702 38.137 -21.742 -24.145 1.00 0.00 H ATOM 1821 H ARG A 702 37.660 -14.054 -23.395 1.00 0.00 H ATOM 1822 N LYS A 703 40.700 -15.128 -21.952 1.00 18.56 N ATOM 1823 CA LYS A 703 42.017 -15.101 -21.376 1.00 18.16 C ATOM 1824 C LYS A 703 41.918 -15.543 -19.919 1.00 23.59 C ATOM 1825 O LYS A 703 41.627 -14.737 -19.032 1.00 22.38 O ATOM 1826 CB LYS A 703 42.598 -13.682 -21.504 1.00 21.46 C ATOM 1827 CG LYS A 703 44.049 -13.551 -21.020 1.00 37.08 C ATOM 1828 CD LYS A 703 45.091 -14.133 -22.002 1.00 44.64 C ATOM 1829 CE LYS A 703 46.505 -14.032 -21.494 1.00 43.98 C ATOM 1830 NZ LYS A 703 46.764 -12.727 -20.805 1.00 47.26 N ATOM 1831 HZ1 LYS A 703 46.602 -11.946 -21.472 1.00 0.00 H ATOM 1832 HZ2 LYS A 703 46.120 -12.631 -19.994 1.00 0.00 H ATOM 1833 HZ3 LYS A 703 47.749 -12.702 -20.472 1.00 0.00 H ATOM 1834 H LYS A 703 40.097 -14.294 -21.801 1.00 0.00 H ATOM 1835 N PHE A 704 42.118 -16.840 -19.670 1.00 21.02 N ATOM 1836 CA PHE A 704 42.051 -17.384 -18.309 1.00 21.25 C ATOM 1837 C PHE A 704 43.460 -17.499 -17.787 1.00 25.50 C ATOM 1838 O PHE A 704 44.346 -17.933 -18.522 1.00 25.36 O ATOM 1839 CB PHE A 704 41.312 -18.705 -18.264 1.00 20.77 C ATOM 1840 CG PHE A 704 39.868 -18.582 -18.693 1.00 21.31 C ATOM 1841 CD1 PHE A 704 38.853 -18.433 -17.747 1.00 23.27 C ATOM 1842 CD2 PHE A 704 39.517 -18.644 -20.045 1.00 22.87 C ATOM 1843 CE1 PHE A 704 37.515 -18.335 -18.143 1.00 24.09 C ATOM 1844 CE2 PHE A 704 38.182 -18.537 -20.446 1.00 25.87 C ATOM 1845 CZ PHE A 704 37.188 -18.398 -19.494 1.00 23.55 C ATOM 1846 H PHE A 704 42.327 -17.481 -20.462 1.00 0.00 H ATOM 1847 N THR A 705 43.685 -16.994 -16.550 1.00 22.19 N ATOM 1848 CA THR A 705 44.976 -16.937 -15.850 1.00 21.21 C ATOM 1849 C THR A 705 44.772 -17.015 -14.306 1.00 23.90 C ATOM 1850 O THR A 705 43.646 -17.097 -13.832 1.00 23.54 O ATOM 1851 CB THR A 705 45.717 -15.616 -16.192 1.00 18.93 C ATOM 1852 OG1 THR A 705 44.988 -14.508 -15.660 1.00 14.13 O ATOM 1853 CG2 THR A 705 46.008 -15.430 -17.658 1.00 14.41 C ATOM 1854 HG1 THR A 705 44.081 -14.490 -16.057 1.00 0.00 H ATOM 1855 H THR A 705 42.862 -16.608 -16.045 1.00 0.00 H ATOM 1856 N THR A 706 45.863 -16.964 -13.526 1.00 21.19 N ATOM 1857 CA THR A 706 45.734 -16.989 -12.072 1.00 21.67 C ATOM 1858 C THR A 706 45.025 -15.704 -11.613 1.00 25.91 C ATOM 1859 O THR A 706 44.307 -15.749 -10.615 1.00 26.40 O ATOM 1860 CB THR A 706 47.080 -17.229 -11.364 1.00 30.78 C ATOM 1861 OG1 THR A 706 47.955 -16.123 -11.611 1.00 34.47 O ATOM 1862 CG2 THR A 706 47.732 -18.521 -11.781 1.00 29.76 C ATOM 1863 HG1 THR A 706 47.542 -15.293 -11.263 1.00 0.00 H ATOM 1864 H THR A 706 46.806 -16.906 -13.960 1.00 0.00 H ATOM 1865 N GLU A 707 45.214 -14.586 -12.366 1.00 19.49 N ATOM 1866 CA GLU A 707 44.641 -13.242 -12.154 1.00 18.87 C ATOM 1867 C GLU A 707 43.132 -13.216 -12.480 1.00 21.14 C ATOM 1868 O GLU A 707 42.417 -12.408 -11.894 1.00 20.59 O ATOM 1869 CB GLU A 707 45.387 -12.156 -12.957 1.00 18.96 C ATOM 1870 CG GLU A 707 46.875 -12.033 -12.664 1.00 24.35 C ATOM 1871 CD GLU A 707 47.798 -13.094 -13.253 1.00 50.06 C ATOM 1872 OE1 GLU A 707 47.549 -13.550 -14.392 1.00 44.05 O ATOM 1873 OE2 GLU A 707 48.773 -13.474 -12.564 1.00 43.32 O ATOM 1874 H GLU A 707 45.838 -14.691 -13.191 1.00 0.00 H ATOM 1875 N SER A 708 42.638 -14.084 -13.386 1.00 18.36 N ATOM 1876 CA SER A 708 41.196 -14.147 -13.655 1.00 18.05 C ATOM 1877 C SER A 708 40.525 -14.991 -12.497 1.00 22.07 C ATOM 1878 O SER A 708 39.378 -14.740 -12.103 1.00 20.43 O ATOM 1879 CB SER A 708 40.915 -14.735 -15.037 1.00 21.82 C ATOM 1880 OG SER A 708 41.386 -16.061 -15.231 1.00 29.71 O ATOM 1881 HG SER A 708 42.368 -16.083 -15.107 1.00 0.00 H ATOM 1882 H SER A 708 43.285 -14.716 -13.900 1.00 0.00 H ATOM 1883 N ASP A 709 41.283 -15.964 -11.932 1.00 20.04 N ATOM 1884 CA ASP A 709 40.845 -16.794 -10.833 1.00 19.80 C ATOM 1885 C ASP A 709 40.770 -15.912 -9.576 1.00 24.17 C ATOM 1886 O ASP A 709 39.819 -16.057 -8.802 1.00 24.34 O ATOM 1887 CB ASP A 709 41.837 -17.935 -10.598 1.00 22.83 C ATOM 1888 CG ASP A 709 41.643 -19.243 -11.352 1.00 28.64 C ATOM 1889 OD1 ASP A 709 40.689 -19.336 -12.169 1.00 27.64 O ATOM 1890 OD2 ASP A 709 42.448 -20.174 -11.130 1.00 32.09 O ATOM 1891 H ASP A 709 42.238 -16.122 -12.313 1.00 0.00 H ATOM 1892 N VAL A 710 41.745 -14.984 -9.362 1.00 15.56 N ATOM 1893 CA VAL A 710 41.698 -14.114 -8.175 1.00 15.75 C ATOM 1894 C VAL A 710 40.458 -13.195 -8.296 1.00 19.18 C ATOM 1895 O VAL A 710 39.817 -12.917 -7.288 1.00 19.58 O ATOM 1896 CB VAL A 710 43.041 -13.395 -7.794 1.00 17.19 C ATOM 1897 CG1 VAL A 710 43.359 -12.211 -8.684 1.00 17.25 C ATOM 1898 CG2 VAL A 710 43.080 -13.015 -6.328 1.00 16.96 C ATOM 1899 H VAL A 710 42.527 -14.890 -10.041 1.00 0.00 H ATOM 1900 N TRP A 711 40.081 -12.827 -9.536 1.00 15.34 N ATOM 1901 CA TRP A 711 38.890 -12.021 -9.795 1.00 14.52 C ATOM 1902 C TRP A 711 37.697 -12.846 -9.365 1.00 18.59 C ATOM 1903 O TRP A 711 36.881 -12.377 -8.580 1.00 18.57 O ATOM 1904 CB TRP A 711 38.787 -11.662 -11.271 1.00 13.02 C ATOM 1905 CG TRP A 711 37.523 -10.932 -11.610 1.00 12.91 C ATOM 1906 CD1 TRP A 711 36.271 -11.465 -11.726 1.00 16.51 C ATOM 1907 CD2 TRP A 711 37.390 -9.531 -11.886 1.00 12.95 C ATOM 1908 NE1 TRP A 711 35.369 -10.478 -12.047 1.00 15.24 N ATOM 1909 CE2 TRP A 711 36.029 -9.284 -12.157 1.00 16.44 C ATOM 1910 CE3 TRP A 711 38.294 -8.469 -11.954 1.00 13.52 C ATOM 1911 CZ2 TRP A 711 35.548 -8.022 -12.483 1.00 15.45 C ATOM 1912 CZ3 TRP A 711 37.812 -7.211 -12.284 1.00 14.76 C ATOM 1913 CH2 TRP A 711 36.451 -6.997 -12.539 1.00 15.26 C ATOM 1914 HE1 TRP A 711 34.347 -10.617 -12.184 1.00 0.00 H ATOM 1915 H TRP A 711 40.663 -13.130 -10.343 1.00 0.00 H ATOM 1916 N SER A 712 37.627 -14.114 -9.849 1.00 20.74 N ATOM 1917 CA SER A 712 36.571 -15.075 -9.494 1.00 20.40 C ATOM 1918 C SER A 712 36.486 -15.226 -7.986 1.00 24.75 C ATOM 1919 O SER A 712 35.377 -15.219 -7.453 1.00 25.02 O ATOM 1920 CB SER A 712 36.803 -16.411 -10.171 1.00 20.70 C ATOM 1921 OG SER A 712 36.355 -16.257 -11.501 1.00 27.19 O ATOM 1922 HG SER A 712 35.394 -16.019 -11.499 1.00 0.00 H ATOM 1923 H SER A 712 38.366 -14.424 -10.512 1.00 0.00 H ATOM 1924 N PHE A 713 37.658 -15.280 -7.296 1.00 20.17 N ATOM 1925 CA PHE A 713 37.721 -15.363 -5.844 1.00 19.56 C ATOM 1926 C PHE A 713 37.019 -14.183 -5.194 1.00 23.34 C ATOM 1927 O PHE A 713 36.301 -14.398 -4.236 1.00 23.11 O ATOM 1928 CB PHE A 713 39.147 -15.541 -5.306 1.00 20.74 C ATOM 1929 CG PHE A 713 39.100 -15.725 -3.811 1.00 21.72 C ATOM 1930 CD1 PHE A 713 38.517 -16.859 -3.252 1.00 24.00 C ATOM 1931 CD2 PHE A 713 39.570 -14.733 -2.958 1.00 23.73 C ATOM 1932 CE1 PHE A 713 38.401 -16.996 -1.870 1.00 24.80 C ATOM 1933 CE2 PHE A 713 39.453 -14.872 -1.573 1.00 26.64 C ATOM 1934 CZ PHE A 713 38.872 -16.002 -1.039 1.00 24.24 C ATOM 1935 H PHE A 713 38.550 -15.261 -7.831 1.00 0.00 H ATOM 1936 N GLY A 714 37.188 -12.972 -5.728 1.00 19.88 N ATOM 1937 CA GLY A 714 36.523 -11.775 -5.213 1.00 20.04 C ATOM 1938 C GLY A 714 35.008 -11.889 -5.336 1.00 23.99 C ATOM 1939 O GLY A 714 34.263 -11.479 -4.448 1.00 24.18 O ATOM 1940 H GLY A 714 37.821 -12.875 -6.547 1.00 0.00 H ATOM 1941 N VAL A 715 34.545 -12.483 -6.444 1.00 21.38 N ATOM 1942 CA VAL A 715 33.124 -12.707 -6.728 1.00 21.23 C ATOM 1943 C VAL A 715 32.603 -13.778 -5.746 1.00 26.50 C ATOM 1944 O VAL A 715 31.515 -13.606 -5.178 1.00 26.97 O ATOM 1945 CB VAL A 715 32.875 -13.024 -8.219 1.00 24.53 C ATOM 1946 CG1 VAL A 715 31.390 -13.091 -8.501 1.00 24.41 C ATOM 1947 CG2 VAL A 715 33.547 -11.985 -9.135 1.00 24.13 C ATOM 1948 H VAL A 715 35.238 -12.806 -7.148 1.00 0.00 H ATOM 1949 N VAL A 716 33.418 -14.833 -5.479 1.00 21.53 N ATOM 1950 CA VAL A 716 33.128 -15.892 -4.494 1.00 21.07 C ATOM 1951 C VAL A 716 32.945 -15.234 -3.092 1.00 26.73 C ATOM 1952 O VAL A 716 32.006 -15.583 -2.386 1.00 27.57 O ATOM 1953 CB VAL A 716 34.234 -16.978 -4.495 1.00 23.59 C ATOM 1954 CG1 VAL A 716 34.176 -17.858 -3.247 1.00 23.77 C ATOM 1955 CG2 VAL A 716 34.135 -17.829 -5.744 1.00 23.18 C ATOM 1956 H VAL A 716 34.311 -14.898 -6.008 1.00 0.00 H ATOM 1957 N LEU A 717 33.823 -14.261 -2.721 1.00 25.11 N ATOM 1958 CA LEU A 717 33.742 -13.519 -1.453 1.00 25.09 C ATOM 1959 C LEU A 717 32.399 -12.820 -1.334 1.00 28.80 C ATOM 1960 O LEU A 717 31.748 -12.910 -0.294 1.00 29.05 O ATOM 1961 CB LEU A 717 34.874 -12.483 -1.323 1.00 25.03 C ATOM 1962 CG LEU A 717 36.064 -12.907 -0.479 1.00 30.49 C ATOM 1963 CD1 LEU A 717 37.194 -11.919 -0.614 1.00 30.94 C ATOM 1964 CD2 LEU A 717 35.661 -13.050 0.985 1.00 31.43 C ATOM 1965 H LEU A 717 34.598 -14.028 -3.374 1.00 0.00 H ATOM 1966 N TRP A 718 31.974 -12.155 -2.415 1.00 24.83 N ATOM 1967 CA TRP A 718 30.698 -11.463 -2.489 1.00 24.18 C ATOM 1968 C TRP A 718 29.555 -12.490 -2.282 1.00 26.93 C ATOM 1969 O TRP A 718 28.603 -12.190 -1.550 1.00 25.05 O ATOM 1970 CB TRP A 718 30.583 -10.697 -3.826 1.00 22.32 C ATOM 1971 CG TRP A 718 29.371 -9.820 -3.953 1.00 22.08 C ATOM 1972 CD1 TRP A 718 29.279 -8.487 -3.660 1.00 26.47 C ATOM 1973 CD2 TRP A 718 28.075 -10.217 -4.443 1.00 23.25 C ATOM 1974 NE1 TRP A 718 28.000 -8.024 -3.928 1.00 25.48 N ATOM 1975 CE2 TRP A 718 27.240 -9.068 -4.408 1.00 26.90 C ATOM 1976 CE3 TRP A 718 27.527 -11.441 -4.884 1.00 23.77 C ATOM 1977 CZ2 TRP A 718 25.893 -9.109 -4.810 1.00 26.21 C ATOM 1978 CZ3 TRP A 718 26.194 -11.478 -5.265 1.00 25.54 C ATOM 1979 CH2 TRP A 718 25.399 -10.320 -5.248 1.00 26.19 C ATOM 1980 HE1 TRP A 718 27.668 -7.048 -3.789 1.00 0.00 H ATOM 1981 H TRP A 718 32.593 -12.132 -3.251 1.00 0.00 H ATOM 1982 N GLU A 719 29.672 -13.713 -2.879 1.00 22.70 N ATOM 1983 CA GLU A 719 28.641 -14.761 -2.705 1.00 22.11 C ATOM 1984 C GLU A 719 28.536 -15.173 -1.258 1.00 25.56 C ATOM 1985 O GLU A 719 27.434 -15.412 -0.792 1.00 25.14 O ATOM 1986 CB GLU A 719 28.919 -16.037 -3.511 1.00 22.23 C ATOM 1987 CG GLU A 719 29.179 -15.887 -4.994 1.00 24.47 C ATOM 1988 CD GLU A 719 29.258 -17.259 -5.623 1.00 28.78 C ATOM 1989 OE1 GLU A 719 30.374 -17.732 -5.938 1.00 19.37 O ATOM 1990 OE2 GLU A 719 28.184 -17.882 -5.768 1.00 26.99 O ATOM 1991 H GLU A 719 30.505 -13.913 -3.469 1.00 0.00 H ATOM 1992 N ILE A 720 29.680 -15.284 -0.547 1.00 22.77 N ATOM 1993 CA ILE A 720 29.732 -15.699 0.868 1.00 22.01 C ATOM 1994 C ILE A 720 29.041 -14.661 1.734 1.00 26.85 C ATOM 1995 O ILE A 720 28.221 -15.019 2.583 1.00 27.17 O ATOM 1996 CB ILE A 720 31.189 -15.982 1.355 1.00 22.61 C ATOM 1997 CG1 ILE A 720 31.825 -17.137 0.580 1.00 22.59 C ATOM 1998 CG2 ILE A 720 31.259 -16.193 2.883 1.00 23.25 C ATOM 1999 CD1 ILE A 720 33.410 -17.280 0.767 1.00 30.13 C ATOM 2000 H ILE A 720 30.577 -15.064 -1.026 1.00 0.00 H ATOM 2001 N PHE A 721 29.362 -13.376 1.504 1.00 23.01 N ATOM 2002 CA PHE A 721 28.809 -12.289 2.307 1.00 22.30 C ATOM 2003 C PHE A 721 27.385 -11.860 1.884 1.00 26.23 C ATOM 2004 O PHE A 721 26.771 -11.090 2.632 1.00 26.58 O ATOM 2005 CB PHE A 721 29.795 -11.131 2.412 1.00 22.23 C ATOM 2006 CG PHE A 721 30.917 -11.511 3.357 1.00 23.27 C ATOM 2007 CD1 PHE A 721 30.807 -11.278 4.730 1.00 26.09 C ATOM 2008 CD2 PHE A 721 32.062 -12.136 2.890 1.00 24.77 C ATOM 2009 CE1 PHE A 721 31.831 -11.654 5.608 1.00 26.92 C ATOM 2010 CE2 PHE A 721 33.084 -12.515 3.774 1.00 27.92 C ATOM 2011 CZ PHE A 721 32.966 -12.265 5.121 1.00 26.08 C ATOM 2012 H PHE A 721 30.022 -13.150 0.733 1.00 0.00 H ATOM 2013 N THR A 722 26.826 -12.396 0.760 1.00 21.59 N ATOM 2014 CA THR A 722 25.426 -12.106 0.399 1.00 21.30 C ATOM 2015 C THR A 722 24.586 -13.360 0.723 1.00 26.69 C ATOM 2016 O THR A 722 23.383 -13.383 0.461 1.00 27.84 O ATOM 2017 CB THR A 722 25.228 -11.723 -1.067 1.00 25.21 C ATOM 2018 OG1 THR A 722 25.678 -12.786 -1.887 1.00 25.21 O ATOM 2019 CG2 THR A 722 25.865 -10.410 -1.441 1.00 25.21 C ATOM 2020 HG1 THR A 722 26.638 -12.953 -1.712 1.00 0.00 H ATOM 2021 H THR A 722 27.395 -13.017 0.150 1.00 0.00 H ATOM 2022 N TYR A 723 25.238 -14.397 1.293 1.00 22.18 N ATOM 2023 CA TYR A 723 24.693 -15.703 1.658 1.00 22.00 C ATOM 2024 C TYR A 723 24.160 -16.494 0.466 1.00 26.75 C ATOM 2025 O TYR A 723 23.099 -17.107 0.575 1.00 26.90 O ATOM 2026 CB TYR A 723 23.648 -15.642 2.770 1.00 19.59 C ATOM 2027 CG TYR A 723 24.150 -15.113 4.094 1.00 19.64 C ATOM 2028 CD1 TYR A 723 24.686 -15.969 5.053 1.00 21.18 C ATOM 2029 CD2 TYR A 723 24.009 -13.769 4.423 1.00 20.05 C ATOM 2030 CE1 TYR A 723 25.073 -15.497 6.300 1.00 21.07 C ATOM 2031 CE2 TYR A 723 24.446 -13.276 5.647 1.00 20.84 C ATOM 2032 CZ TYR A 723 24.962 -14.143 6.590 1.00 25.71 C ATOM 2033 OH TYR A 723 25.357 -13.623 7.798 1.00 25.83 O ATOM 2034 HH TYR A 723 25.704 -14.351 8.372 1.00 0.00 H ATOM 2035 H TYR A 723 26.247 -14.248 1.496 1.00 0.00 H ATOM 2036 N GLY A 724 24.905 -16.501 -0.640 1.00 23.61 N ATOM 2037 CA GLY A 724 24.573 -17.280 -1.824 1.00 23.19 C ATOM 2038 C GLY A 724 23.913 -16.575 -2.991 1.00 25.77 C ATOM 2039 O GLY A 724 23.611 -17.233 -3.996 1.00 24.57 O ATOM 2040 H GLY A 724 25.767 -15.920 -0.658 1.00 0.00 H ATOM 2041 N LYS A 725 23.709 -15.235 -2.902 1.00 23.91 N ATOM 2042 CA LYS A 725 23.080 -14.481 -3.992 1.00 23.46 C ATOM 2043 C LYS A 725 23.863 -14.579 -5.306 1.00 28.80 C ATOM 2044 O LYS A 725 25.089 -14.736 -5.266 1.00 28.87 O ATOM 2045 CB LYS A 725 22.837 -13.028 -3.606 1.00 27.99 C ATOM 2046 CG LYS A 725 21.764 -12.866 -2.563 1.00 27.99 C ATOM 2047 CD LYS A 725 21.240 -11.437 -2.550 1.00 27.99 C ATOM 2048 CE LYS A 725 21.515 -10.759 -1.226 1.00 27.99 C ATOM 2049 NZ LYS A 725 20.816 -9.446 -1.118 1.00 27.99 N ATOM 2050 HZ1 LYS A 725 21.141 -8.818 -1.880 1.00 0.00 H ATOM 2051 HZ2 LYS A 725 19.790 -9.593 -1.203 1.00 0.00 H ATOM 2052 HZ3 LYS A 725 21.031 -9.015 -0.196 1.00 0.00 H ATOM 2053 H LYS A 725 24.006 -14.732 -2.041 1.00 0.00 H ATOM 2054 N GLN A 726 23.151 -14.537 -6.470 1.00 24.45 N ATOM 2055 CA GLN A 726 23.810 -14.586 -7.777 1.00 24.27 C ATOM 2056 C GLN A 726 24.434 -13.191 -8.081 1.00 29.28 C ATOM 2057 O GLN A 726 23.747 -12.174 -7.921 1.00 28.56 O ATOM 2058 CB GLN A 726 22.820 -14.969 -8.865 1.00 25.80 C ATOM 2059 CG GLN A 726 23.438 -15.132 -10.239 1.00 30.81 C ATOM 2060 CD GLN A 726 22.383 -15.163 -11.312 1.00 40.25 C ATOM 2061 OE1 GLN A 726 21.423 -14.366 -11.338 1.00 35.06 O ATOM 2062 NE2 GLN A 726 22.540 -16.085 -12.242 1.00 26.26 N ATOM 2063 HE22 GLN A 726 23.349 -16.737 -12.197 1.00 0.00 H ATOM 2064 HE21 GLN A 726 21.855 -16.160 -13.021 1.00 0.00 H ATOM 2065 H GLN A 726 22.114 -14.468 -6.428 1.00 0.00 H ATOM 2066 N PRO A 727 25.724 -13.100 -8.495 1.00 25.06 N ATOM 2067 CA PRO A 727 26.297 -11.775 -8.788 1.00 24.33 C ATOM 2068 C PRO A 727 25.500 -11.160 -9.915 1.00 27.82 C ATOM 2069 O PRO A 727 25.239 -11.844 -10.891 1.00 28.70 O ATOM 2070 CB PRO A 727 27.745 -12.097 -9.175 1.00 26.07 C ATOM 2071 CG PRO A 727 28.010 -13.460 -8.559 1.00 30.41 C ATOM 2072 CD PRO A 727 26.710 -14.168 -8.738 1.00 26.02 C ATOM 2073 N TRP A 728 25.037 -9.919 -9.755 1.00 22.32 N ATOM 2074 CA TRP A 728 24.203 -9.220 -10.743 1.00 21.73 C ATOM 2075 C TRP A 728 22.837 -9.886 -10.889 1.00 27.19 C ATOM 2076 O TRP A 728 22.296 -9.913 -11.986 1.00 26.62 O ATOM 2077 CB TRP A 728 24.896 -9.121 -12.106 1.00 19.13 C ATOM 2078 CG TRP A 728 26.281 -8.613 -11.996 1.00 18.85 C ATOM 2079 CD1 TRP A 728 27.435 -9.325 -12.146 1.00 22.28 C ATOM 2080 CD2 TRP A 728 26.670 -7.280 -11.644 1.00 18.96 C ATOM 2081 NE1 TRP A 728 28.525 -8.500 -11.972 1.00 20.95 N ATOM 2082 CE2 TRP A 728 28.086 -7.245 -11.635 1.00 22.14 C ATOM 2083 CE3 TRP A 728 25.955 -6.092 -11.368 1.00 19.41 C ATOM 2084 CZ2 TRP A 728 28.802 -6.075 -11.347 1.00 21.04 C ATOM 2085 CZ3 TRP A 728 26.665 -4.945 -11.071 1.00 20.39 C ATOM 2086 CH2 TRP A 728 28.070 -4.939 -11.074 1.00 20.96 C ATOM 2087 HE1 TRP A 728 29.520 -8.783 -12.079 1.00 0.00 H ATOM 2088 H TRP A 728 25.281 -9.416 -8.878 1.00 0.00 H ATOM 2089 N TYR A 729 22.270 -10.416 -9.786 1.00 25.97 N ATOM 2090 CA TYR A 729 20.977 -11.103 -9.817 1.00 26.43 C ATOM 2091 C TYR A 729 19.906 -10.304 -10.525 1.00 31.06 C ATOM 2092 O TYR A 729 19.118 -10.891 -11.261 1.00 30.46 O ATOM 2093 CB TYR A 729 20.518 -11.555 -8.435 1.00 28.25 C ATOM 2094 CG TYR A 729 20.500 -10.490 -7.368 1.00 30.18 C ATOM 2095 CD1 TYR A 729 19.336 -9.779 -7.085 1.00 31.69 C ATOM 2096 CD2 TYR A 729 21.633 -10.227 -6.594 1.00 31.41 C ATOM 2097 CE1 TYR A 729 19.307 -8.807 -6.079 1.00 32.17 C ATOM 2098 CE2 TYR A 729 21.618 -9.262 -5.588 1.00 32.69 C ATOM 2099 CZ TYR A 729 20.448 -8.556 -5.329 1.00 40.52 C ATOM 2100 OH TYR A 729 20.416 -7.613 -4.322 1.00 43.25 O ATOM 2101 HH TYR A 729 19.513 -7.211 -4.277 1.00 0.00 H ATOM 2102 H TYR A 729 22.770 -10.334 -8.878 1.00 0.00 H ATOM 2103 N GLN A 730 19.935 -8.956 -10.361 1.00 26.65 N ATOM 2104 CA GLN A 730 18.981 -8.008 -10.971 1.00 26.46 C ATOM 2105 C GLN A 730 19.102 -7.919 -12.485 1.00 32.00 C ATOM 2106 O GLN A 730 18.200 -7.384 -13.124 1.00 33.07 O ATOM 2107 CB GLN A 730 19.121 -6.576 -10.394 1.00 26.01 C ATOM 2108 CG GLN A 730 19.311 -6.468 -8.900 1.00 33.71 C ATOM 2109 CD GLN A 730 20.770 -6.392 -8.492 1.00 47.33 C ATOM 2110 OE1 GLN A 730 21.671 -6.911 -9.170 1.00 40.64 O ATOM 2111 NE2 GLN A 730 21.036 -5.751 -7.351 1.00 34.10 N ATOM 2112 HE22 GLN A 730 20.263 -5.325 -6.802 1.00 0.00 H ATOM 2113 HE21 GLN A 730 22.016 -5.678 -7.012 1.00 0.00 H ATOM 2114 H GLN A 730 20.686 -8.561 -9.760 1.00 0.00 H ATOM 2115 N LEU A 731 20.208 -8.418 -13.053 1.00 24.74 N ATOM 2116 CA LEU A 731 20.483 -8.318 -14.487 1.00 24.10 C ATOM 2117 C LEU A 731 20.463 -9.604 -15.272 1.00 27.82 C ATOM 2118 O LEU A 731 20.724 -10.687 -14.758 1.00 28.02 O ATOM 2119 CB LEU A 731 21.835 -7.611 -14.725 1.00 22.89 C ATOM 2120 CG LEU A 731 22.103 -6.323 -13.928 1.00 26.76 C ATOM 2121 CD1 LEU A 731 23.481 -5.824 -14.174 1.00 26.49 C ATOM 2122 CD2 LEU A 731 21.120 -5.249 -14.262 1.00 27.08 C ATOM 2123 H LEU A 731 20.903 -8.899 -12.447 1.00 0.00 H ATOM 2124 N SER A 732 20.152 -9.445 -16.558 1.00 26.07 N ATOM 2125 CA SER A 732 20.138 -10.498 -17.560 1.00 25.74 C ATOM 2126 C SER A 732 21.603 -10.763 -17.930 1.00 29.36 C ATOM 2127 O SER A 732 22.481 -9.960 -17.599 1.00 29.26 O ATOM 2128 CB SER A 732 19.339 -10.048 -18.781 1.00 29.38 C ATOM 2129 OG SER A 732 19.990 -9.077 -19.583 1.00 35.12 O ATOM 2130 HG SER A 732 20.168 -8.268 -19.040 1.00 0.00 H ATOM 2131 H SER A 732 19.898 -8.486 -16.871 1.00 0.00 H ATOM 2132 N ASN A 733 21.877 -11.861 -18.613 1.00 29.75 N ATOM 2133 CA ASN A 733 23.252 -12.183 -18.976 1.00 29.51 C ATOM 2134 C ASN A 733 23.929 -11.096 -19.823 1.00 34.19 C ATOM 2135 O ASN A 733 25.108 -10.821 -19.601 1.00 34.74 O ATOM 2136 CB ASN A 733 23.336 -13.547 -19.623 1.00 28.26 C ATOM 2137 CG ASN A 733 22.975 -14.694 -18.684 1.00 49.64 C ATOM 2138 OD1 ASN A 733 23.257 -14.687 -17.462 1.00 36.65 O ATOM 2139 ND2 ASN A 733 22.343 -15.723 -19.238 1.00 42.53 N ATOM 2140 HD22 ASN A 733 22.118 -15.710 -20.253 1.00 0.00 H ATOM 2141 HD21 ASN A 733 22.073 -16.542 -18.656 1.00 0.00 H ATOM 2142 H ASN A 733 21.106 -12.500 -18.894 1.00 0.00 H ATOM 2143 N THR A 734 23.188 -10.434 -20.738 1.00 30.85 N ATOM 2144 CA THR A 734 23.758 -9.397 -21.587 1.00 30.19 C ATOM 2145 C THR A 734 23.925 -8.117 -20.814 1.00 32.99 C ATOM 2146 O THR A 734 24.904 -7.413 -21.057 1.00 32.33 O ATOM 2147 CB THR A 734 23.006 -9.254 -22.915 1.00 33.58 C ATOM 2148 OG1 THR A 734 21.626 -9.449 -22.680 1.00 32.87 O ATOM 2149 CG2 THR A 734 23.446 -10.307 -23.941 1.00 31.07 C ATOM 2150 HG1 THR A 734 21.131 -9.359 -23.533 1.00 0.00 H ATOM 2151 H THR A 734 22.181 -10.672 -20.839 1.00 0.00 H ATOM 2152 N GLU A 735 23.035 -7.814 -19.850 1.00 27.18 N ATOM 2153 CA GLU A 735 23.191 -6.579 -19.042 1.00 26.93 C ATOM 2154 C GLU A 735 24.386 -6.716 -18.097 1.00 30.23 C ATOM 2155 O GLU A 735 25.053 -5.721 -17.824 1.00 30.03 O ATOM 2156 CB GLU A 735 21.941 -6.273 -18.218 1.00 27.62 C ATOM 2157 CG GLU A 735 20.687 -5.975 -19.006 1.00 34.21 C ATOM 2158 CD GLU A 735 19.465 -5.962 -18.109 1.00 56.44 C ATOM 2159 OE1 GLU A 735 19.256 -6.936 -17.346 1.00 40.80 O ATOM 2160 OE2 GLU A 735 18.711 -4.966 -18.173 1.00 49.38 O ATOM 2161 H GLU A 735 22.232 -8.450 -19.670 1.00 0.00 H ATOM 2162 N ALA A 736 24.643 -7.952 -17.595 1.00 24.00 N ATOM 2163 CA ALA A 736 25.761 -8.271 -16.709 1.00 23.74 C ATOM 2164 C ALA A 736 27.072 -8.163 -17.481 1.00 27.32 C ATOM 2165 O ALA A 736 28.032 -7.615 -16.945 1.00 27.25 O ATOM 2166 CB ALA A 736 25.604 -9.667 -16.135 1.00 24.17 C ATOM 2167 H ALA A 736 24.000 -8.725 -17.860 1.00 0.00 H ATOM 2168 N ILE A 737 27.109 -8.660 -18.748 1.00 24.71 N ATOM 2169 CA ILE A 737 28.295 -8.602 -19.603 1.00 25.04 C ATOM 2170 C ILE A 737 28.722 -7.148 -19.770 1.00 29.47 C ATOM 2171 O ILE A 737 29.914 -6.847 -19.586 1.00 29.45 O ATOM 2172 CB ILE A 737 28.146 -9.366 -20.952 1.00 27.58 C ATOM 2173 CG1 ILE A 737 28.099 -10.900 -20.737 1.00 28.27 C ATOM 2174 CG2 ILE A 737 29.314 -9.042 -21.898 1.00 28.40 C ATOM 2175 CD1 ILE A 737 27.435 -11.758 -21.914 1.00 37.92 C ATOM 2176 H ILE A 737 26.249 -9.104 -19.128 1.00 0.00 H ATOM 2177 N ASP A 738 27.756 -6.257 -20.088 1.00 24.95 N ATOM 2178 CA ASP A 738 28.085 -4.855 -20.290 1.00 25.31 C ATOM 2179 C ASP A 738 28.510 -4.201 -18.972 1.00 29.35 C ATOM 2180 O ASP A 738 29.505 -3.487 -18.996 1.00 27.42 O ATOM 2181 CB ASP A 738 26.991 -4.087 -21.063 1.00 27.53 C ATOM 2182 CG ASP A 738 26.850 -4.557 -22.517 1.00 38.84 C ATOM 2183 OD1 ASP A 738 27.866 -4.514 -23.268 1.00 39.55 O ATOM 2184 OD2 ASP A 738 25.733 -4.976 -22.901 1.00 44.99 O ATOM 2185 H ASP A 738 26.771 -6.576 -20.189 1.00 0.00 H ATOM 2186 N CYS A 739 27.852 -4.489 -17.824 1.00 29.51 N ATOM 2187 CA CYS A 739 28.277 -3.954 -16.519 1.00 30.25 C ATOM 2188 C CYS A 739 29.738 -4.341 -16.198 1.00 29.96 C ATOM 2189 O CYS A 739 30.536 -3.479 -15.824 1.00 29.60 O ATOM 2190 CB CYS A 739 27.333 -4.414 -15.412 1.00 32.26 C ATOM 2191 SG CYS A 739 25.835 -3.406 -15.253 1.00 37.08 S ATOM 2192 H CYS A 739 27.018 -5.109 -17.865 1.00 0.00 H ATOM 2193 N ILE A 740 30.085 -5.633 -16.377 1.00 25.10 N ATOM 2194 CA ILE A 740 31.425 -6.143 -16.094 1.00 24.16 C ATOM 2195 C ILE A 740 32.485 -5.494 -17.017 1.00 27.60 C ATOM 2196 O ILE A 740 33.545 -5.079 -16.528 1.00 27.34 O ATOM 2197 CB ILE A 740 31.503 -7.712 -16.067 1.00 24.61 C ATOM 2198 CG1 ILE A 740 30.610 -8.304 -14.933 1.00 23.99 C ATOM 2199 CG2 ILE A 740 32.941 -8.166 -15.896 1.00 24.49 C ATOM 2200 CD1 ILE A 740 30.042 -9.651 -15.177 1.00 27.21 C ATOM 2201 H ILE A 740 29.366 -6.295 -16.732 1.00 0.00 H ATOM 2202 N THR A 741 32.202 -5.402 -18.325 1.00 25.61 N ATOM 2203 CA THR A 741 33.168 -4.810 -19.273 1.00 24.50 C ATOM 2204 C THR A 741 33.320 -3.297 -19.027 1.00 27.37 C ATOM 2205 O THR A 741 34.443 -2.792 -19.087 1.00 26.91 O ATOM 2206 CB THR A 741 32.860 -5.193 -20.712 1.00 20.68 C ATOM 2207 OG1 THR A 741 31.483 -4.945 -21.000 1.00 23.09 O ATOM 2208 CG2 THR A 741 33.172 -6.659 -20.982 1.00 17.26 C ATOM 2209 HG1 THR A 741 30.918 -5.483 -20.391 1.00 0.00 H ATOM 2210 H THR A 741 31.288 -5.753 -18.677 1.00 0.00 H ATOM 2211 N GLN A 742 32.210 -2.606 -18.678 1.00 23.57 N ATOM 2212 CA GLN A 742 32.197 -1.187 -18.367 1.00 23.75 C ATOM 2213 C GLN A 742 32.991 -0.865 -17.134 1.00 28.22 C ATOM 2214 O GLN A 742 33.477 0.252 -17.007 1.00 28.52 O ATOM 2215 CB GLN A 742 30.781 -0.670 -18.213 1.00 24.67 C ATOM 2216 CG GLN A 742 30.081 -0.410 -19.556 1.00 31.99 C ATOM 2217 CD GLN A 742 30.738 0.666 -20.378 1.00 40.84 C ATOM 2218 OE1 GLN A 742 31.209 0.404 -21.471 1.00 37.10 O ATOM 2219 NE2 GLN A 742 30.793 1.895 -19.882 1.00 22.27 N ATOM 2220 HE22 GLN A 742 30.385 2.097 -18.947 1.00 0.00 H ATOM 2221 HE21 GLN A 742 31.244 2.656 -20.428 1.00 0.00 H ATOM 2222 H GLN A 742 31.309 -3.124 -18.629 1.00 0.00 H ATOM 2223 N GLY A 743 33.132 -1.831 -16.237 1.00 27.35 N ATOM 2224 CA GLY A 743 33.900 -1.656 -15.008 1.00 27.71 C ATOM 2225 C GLY A 743 33.072 -1.407 -13.766 1.00 31.84 C ATOM 2226 O GLY A 743 33.594 -0.872 -12.786 1.00 32.59 O ATOM 2227 H GLY A 743 32.678 -2.749 -16.416 1.00 0.00 H ATOM 2228 N ARG A 744 31.788 -1.786 -13.790 1.00 25.06 N ATOM 2229 CA ARG A 744 30.907 -1.635 -12.648 1.00 24.77 C ATOM 2230 C ARG A 744 31.317 -2.664 -11.612 1.00 28.66 C ATOM 2231 O ARG A 744 31.741 -3.776 -11.959 1.00 28.68 O ATOM 2232 CB ARG A 744 29.449 -1.882 -13.041 1.00 23.40 C ATOM 2233 CG ARG A 744 28.484 -1.439 -11.951 1.00 30.54 C ATOM 2234 CD ARG A 744 27.052 -1.333 -12.391 1.00 35.40 C ATOM 2235 NE ARG A 744 26.908 -0.346 -13.450 1.00 37.52 N ATOM 2236 CZ ARG A 744 25.785 -0.118 -14.111 1.00 50.09 C ATOM 2237 NH1 ARG A 744 24.685 -0.791 -13.814 1.00 37.14 N ATOM 2238 NH2 ARG A 744 25.754 0.782 -15.083 1.00 31.88 N ATOM 2239 HE ARG A 744 27.744 0.218 -13.704 1.00 0.00 H ATOM 2240 HH12 ARG A 744 23.805 -0.607 -14.338 1.00 0.00 H ATOM 2241 HH11 ARG A 744 24.700 -1.504 -13.057 1.00 0.00 H ATOM 2242 HH22 ARG A 744 24.869 0.958 -15.600 1.00 0.00 H ATOM 2243 HH21 ARG A 744 26.614 1.312 -15.329 1.00 0.00 H ATOM 2244 H ARG A 744 31.407 -2.205 -14.662 1.00 0.00 H ATOM 2245 N GLU A 745 31.195 -2.312 -10.345 1.00 25.62 N ATOM 2246 CA GLU A 745 31.548 -3.270 -9.327 1.00 25.84 C ATOM 2247 C GLU A 745 30.316 -3.658 -8.528 1.00 29.18 C ATOM 2248 O GLU A 745 29.367 -2.863 -8.421 1.00 29.46 O ATOM 2249 CB GLU A 745 32.720 -2.777 -8.456 1.00 29.76 C ATOM 2250 CG GLU A 745 32.359 -1.639 -7.526 1.00 29.76 C ATOM 2251 CD GLU A 745 33.476 -1.053 -6.680 1.00 29.76 C ATOM 2252 OE1 GLU A 745 34.673 -1.245 -7.030 1.00 29.76 O ATOM 2253 OE2 GLU A 745 33.139 -0.393 -5.662 1.00 29.76 O ATOM 2254 H GLU A 745 30.852 -1.365 -10.087 1.00 0.00 H ATOM 2255 N LEU A 746 30.337 -4.893 -7.978 1.00 19.45 N ATOM 2256 CA LEU A 746 29.286 -5.434 -7.147 1.00 18.93 C ATOM 2257 C LEU A 746 29.213 -4.611 -5.857 1.00 22.77 C ATOM 2258 O LEU A 746 30.242 -4.342 -5.221 1.00 22.12 O ATOM 2259 CB LEU A 746 29.549 -6.900 -6.852 1.00 17.55 C ATOM 2260 CG LEU A 746 29.339 -7.860 -8.029 1.00 21.87 C ATOM 2261 CD1 LEU A 746 30.041 -9.187 -7.792 1.00 21.55 C ATOM 2262 CD2 LEU A 746 27.870 -8.071 -8.339 1.00 24.14 C ATOM 2263 H LEU A 746 31.165 -5.494 -8.166 1.00 0.00 H ATOM 2264 N GLU A 747 27.982 -4.164 -5.508 1.00 22.99 N ATOM 2265 CA GLU A 747 27.659 -3.348 -4.323 1.00 23.53 C ATOM 2266 C GLU A 747 28.123 -4.092 -3.055 1.00 25.90 C ATOM 2267 O GLU A 747 28.145 -5.340 -3.034 1.00 24.03 O ATOM 2268 CB GLU A 747 26.137 -3.152 -4.292 1.00 25.14 C ATOM 2269 CG GLU A 747 25.596 -1.854 -3.718 1.00 40.27 C ATOM 2270 CD GLU A 747 24.142 -1.957 -3.256 1.00 68.86 C ATOM 2271 OE1 GLU A 747 23.282 -2.353 -4.077 1.00 61.63 O ATOM 2272 OE2 GLU A 747 23.860 -1.647 -2.073 1.00 49.59 O ATOM 2273 H GLU A 747 27.192 -4.420 -6.134 1.00 0.00 H ATOM 2274 N ARG A 748 28.515 -3.340 -2.012 1.00 22.49 N ATOM 2275 CA ARG A 748 28.947 -3.964 -0.761 1.00 22.52 C ATOM 2276 C ARG A 748 27.795 -4.727 -0.078 1.00 28.30 C ATOM 2277 O ARG A 748 26.764 -4.121 0.257 1.00 28.86 O ATOM 2278 CB ARG A 748 29.574 -2.943 0.210 1.00 20.75 C ATOM 2279 CG ARG A 748 29.840 -3.562 1.580 1.00 28.41 C ATOM 2280 CD ARG A 748 30.962 -2.939 2.352 1.00 32.53 C ATOM 2281 NE ARG A 748 30.563 -1.798 3.180 1.00 43.56 N ATOM 2282 CZ ARG A 748 29.637 -1.814 4.140 1.00 55.68 C ATOM 2283 NH1 ARG A 748 28.932 -2.913 4.379 1.00 32.01 N ATOM 2284 NH2 ARG A 748 29.382 -0.717 4.840 1.00 43.50 N ATOM 2285 HE ARG A 748 31.045 -0.894 3.003 1.00 0.00 H ATOM 2286 HH12 ARG A 748 28.212 -2.916 5.130 1.00 0.00 H ATOM 2287 HH11 ARG A 748 29.100 -3.771 3.816 1.00 0.00 H ATOM 2288 HH22 ARG A 748 28.659 -0.734 5.588 1.00 0.00 H ATOM 2289 HH21 ARG A 748 29.905 0.160 4.641 1.00 0.00 H ATOM 2290 H ARG A 748 28.511 -2.303 -2.095 1.00 0.00 H ATOM 2291 N PRO A 749 27.945 -6.042 0.147 1.00 23.08 N ATOM 2292 CA PRO A 749 26.877 -6.791 0.852 1.00 23.10 C ATOM 2293 C PRO A 749 26.643 -6.245 2.284 1.00 27.83 C ATOM 2294 O PRO A 749 27.621 -5.831 2.935 1.00 27.31 O ATOM 2295 CB PRO A 749 27.408 -8.229 0.893 1.00 23.83 C ATOM 2296 CG PRO A 749 28.540 -8.269 -0.043 1.00 28.42 C ATOM 2297 CD PRO A 749 29.092 -6.901 -0.189 1.00 23.87 C ATOM 2298 N ARG A 750 25.366 -6.238 2.790 1.00 28.37 N ATOM 2299 CA ARG A 750 25.090 -5.711 4.141 1.00 28.65 C ATOM 2300 C ARG A 750 25.891 -6.430 5.249 1.00 33.18 C ATOM 2301 O ARG A 750 26.435 -5.766 6.138 1.00 32.47 O ATOM 2302 CB ARG A 750 23.591 -5.644 4.469 1.00 35.91 C ATOM 2303 CG ARG A 750 22.854 -6.965 4.657 1.00 50.69 C ATOM 2304 CD ARG A 750 21.601 -6.765 5.514 1.00 65.40 C ATOM 2305 NE ARG A 750 21.929 -6.470 6.917 1.00 79.51 N ATOM 2306 CZ ARG A 750 21.363 -5.507 7.644 1.00 96.27 C ATOM 2307 NH1 ARG A 750 20.424 -4.726 7.113 1.00 81.07 N ATOM 2308 NH2 ARG A 750 21.727 -5.320 8.908 1.00 78.44 N ATOM 2309 HE ARG A 750 22.656 -7.056 7.375 1.00 0.00 H ATOM 2310 HH12 ARG A 750 19.986 -3.976 7.686 1.00 0.00 H ATOM 2311 HH11 ARG A 750 20.129 -4.866 6.126 1.00 0.00 H ATOM 2312 HH22 ARG A 750 21.282 -4.567 9.471 1.00 0.00 H ATOM 2313 HH21 ARG A 750 22.457 -5.926 9.334 1.00 0.00 H ATOM 2314 H ARG A 750 24.584 -6.609 2.214 1.00 0.00 H ATOM 2315 N ALA A 751 26.011 -7.777 5.138 1.00 30.59 N ATOM 2316 CA ALA A 751 26.748 -8.653 6.046 1.00 30.46 C ATOM 2317 C ALA A 751 28.272 -8.525 5.854 1.00 34.07 C ATOM 2318 O ALA A 751 29.034 -9.162 6.598 1.00 34.47 O ATOM 2319 CB ALA A 751 26.318 -10.091 5.812 1.00 31.02 C ATOM 2320 H ALA A 751 25.534 -8.228 4.331 1.00 0.00 H ATOM 2321 N CYS A 752 28.724 -7.698 4.862 1.00 30.20 N ATOM 2322 CA CYS A 752 30.154 -7.548 4.571 1.00 29.49 C ATOM 2323 C CYS A 752 30.856 -6.412 5.335 1.00 33.68 C ATOM 2324 O CYS A 752 30.582 -5.239 5.070 1.00 33.95 O ATOM 2325 CB CYS A 752 30.404 -7.430 3.069 1.00 27.79 C ATOM 2326 SG CYS A 752 32.146 -7.232 2.612 1.00 31.35 S ATOM 2327 H CYS A 752 28.034 -7.161 4.299 1.00 0.00 H ATOM 2328 N PRO A 753 31.837 -6.733 6.218 1.00 30.34 N ATOM 2329 CA PRO A 753 32.598 -5.659 6.898 1.00 29.65 C ATOM 2330 C PRO A 753 33.360 -4.844 5.848 1.00 33.29 C ATOM 2331 O PRO A 753 33.746 -5.427 4.827 1.00 32.73 O ATOM 2332 CB PRO A 753 33.598 -6.428 7.774 1.00 30.69 C ATOM 2333 CG PRO A 753 32.994 -7.750 7.953 1.00 35.51 C ATOM 2334 CD PRO A 753 32.300 -8.065 6.648 1.00 31.29 C ATOM 2335 N PRO A 754 33.607 -3.525 6.047 1.00 28.73 N ATOM 2336 CA PRO A 754 34.347 -2.744 5.022 1.00 27.48 C ATOM 2337 C PRO A 754 35.707 -3.312 4.588 1.00 29.90 C ATOM 2338 O PRO A 754 36.005 -3.292 3.390 1.00 29.07 O ATOM 2339 CB PRO A 754 34.476 -1.362 5.663 1.00 29.16 C ATOM 2340 CG PRO A 754 33.297 -1.280 6.584 1.00 34.25 C ATOM 2341 CD PRO A 754 33.206 -2.661 7.177 1.00 30.11 C ATOM 2342 N GLU A 755 36.505 -3.847 5.526 1.00 22.68 N ATOM 2343 CA GLU A 755 37.829 -4.440 5.250 1.00 22.56 C ATOM 2344 C GLU A 755 37.794 -5.650 4.337 1.00 26.85 C ATOM 2345 O GLU A 755 38.775 -5.910 3.627 1.00 28.09 O ATOM 2346 CB GLU A 755 38.597 -4.775 6.526 1.00 24.04 C ATOM 2347 CG GLU A 755 37.731 -5.369 7.612 1.00 37.69 C ATOM 2348 CD GLU A 755 37.189 -4.320 8.564 1.00 60.98 C ATOM 2349 OE1 GLU A 755 36.077 -3.785 8.322 1.00 39.62 O ATOM 2350 OE2 GLU A 755 37.901 -4.025 9.552 1.00 60.39 O ATOM 2351 H GLU A 755 36.169 -3.844 6.510 1.00 0.00 H ATOM 2352 N VAL A 756 36.669 -6.406 4.356 1.00 22.73 N ATOM 2353 CA VAL A 756 36.493 -7.569 3.491 1.00 22.19 C ATOM 2354 C VAL A 756 36.192 -7.015 2.076 1.00 25.26 C ATOM 2355 O VAL A 756 36.696 -7.545 1.078 1.00 23.90 O ATOM 2356 CB VAL A 756 35.394 -8.489 4.044 1.00 25.15 C ATOM 2357 CG1 VAL A 756 35.006 -9.570 3.038 1.00 25.15 C ATOM 2358 CG2 VAL A 756 35.818 -9.105 5.375 1.00 25.15 C ATOM 2359 H VAL A 756 35.903 -6.148 5.011 1.00 0.00 H ATOM 2360 N TYR A 757 35.414 -5.909 2.000 1.00 21.11 N ATOM 2361 CA TYR A 757 35.104 -5.264 0.728 1.00 20.65 C ATOM 2362 C TYR A 757 36.382 -4.734 0.057 1.00 23.73 C ATOM 2363 O TYR A 757 36.481 -4.777 -1.173 1.00 24.43 O ATOM 2364 CB TYR A 757 34.098 -4.136 0.919 1.00 23.17 C ATOM 2365 CG TYR A 757 33.424 -3.705 -0.369 1.00 24.64 C ATOM 2366 CD1 TYR A 757 32.765 -4.628 -1.182 1.00 26.60 C ATOM 2367 CD2 TYR A 757 33.420 -2.370 -0.766 1.00 25.04 C ATOM 2368 CE1 TYR A 757 32.138 -4.234 -2.367 1.00 27.39 C ATOM 2369 CE2 TYR A 757 32.773 -1.964 -1.934 1.00 25.61 C ATOM 2370 CZ TYR A 757 32.133 -2.899 -2.729 1.00 34.02 C ATOM 2371 OH TYR A 757 31.499 -2.492 -3.873 1.00 38.81 O ATOM 2372 HH TYR A 757 31.095 -3.277 -4.322 1.00 0.00 H ATOM 2373 H TYR A 757 35.025 -5.506 2.876 1.00 0.00 H ATOM 2374 N ALA A 758 37.370 -4.261 0.867 1.00 18.66 N ATOM 2375 CA ALA A 758 38.654 -3.769 0.351 1.00 17.01 C ATOM 2376 C ALA A 758 39.392 -4.944 -0.293 1.00 21.96 C ATOM 2377 O ALA A 758 40.062 -4.749 -1.326 1.00 22.60 O ATOM 2378 CB ALA A 758 39.489 -3.182 1.462 1.00 16.73 C ATOM 2379 H ALA A 758 37.208 -4.248 1.894 1.00 0.00 H ATOM 2380 N ILE A 759 39.244 -6.167 0.293 1.00 17.13 N ATOM 2381 CA ILE A 759 39.856 -7.350 -0.274 1.00 16.34 C ATOM 2382 C ILE A 759 39.233 -7.637 -1.663 1.00 21.50 C ATOM 2383 O ILE A 759 39.978 -7.937 -2.600 1.00 22.19 O ATOM 2384 CB ILE A 759 39.773 -8.576 0.662 1.00 19.03 C ATOM 2385 CG1 ILE A 759 40.517 -8.315 1.981 1.00 19.03 C ATOM 2386 CG2 ILE A 759 40.299 -9.836 -0.047 1.00 19.03 C ATOM 2387 CD1 ILE A 759 39.985 -8.981 3.126 1.00 19.03 C ATOM 2388 H ILE A 759 38.681 -6.251 1.163 1.00 0.00 H ATOM 2389 N MET A 760 37.885 -7.536 -1.796 1.00 18.27 N ATOM 2390 CA MET A 760 37.198 -7.788 -3.062 1.00 18.06 C ATOM 2391 C MET A 760 37.714 -6.789 -4.104 1.00 23.43 C ATOM 2392 O MET A 760 38.071 -7.159 -5.230 1.00 22.50 O ATOM 2393 CB MET A 760 35.669 -7.659 -2.913 1.00 19.70 C ATOM 2394 CG MET A 760 35.067 -8.585 -1.882 1.00 23.24 C ATOM 2395 SD MET A 760 33.250 -8.478 -1.813 1.00 27.17 S ATOM 2396 CE MET A 760 32.968 -9.145 -0.245 1.00 23.53 C ATOM 2397 H MET A 760 37.319 -7.269 -0.965 1.00 0.00 H ATOM 2398 N ARG A 761 37.790 -5.521 -3.699 1.00 20.69 N ATOM 2399 CA ARG A 761 38.233 -4.432 -4.553 1.00 20.14 C ATOM 2400 C ARG A 761 39.660 -4.640 -5.024 1.00 24.42 C ATOM 2401 O ARG A 761 40.036 -4.121 -6.061 1.00 24.51 O ATOM 2402 CB ARG A 761 38.005 -3.074 -3.856 1.00 20.60 C ATOM 2403 CG ARG A 761 36.528 -2.646 -3.767 1.00 21.84 C ATOM 2404 CD ARG A 761 36.471 -1.226 -3.226 1.00 26.85 C ATOM 2405 NE ARG A 761 35.356 -0.425 -3.749 1.00 24.44 N ATOM 2406 CZ ARG A 761 34.795 0.594 -3.096 1.00 34.68 C ATOM 2407 NH1 ARG A 761 35.220 0.932 -1.890 1.00 17.56 N ATOM 2408 NH2 ARG A 761 33.786 1.265 -3.638 1.00 18.09 N ATOM 2409 HE ARG A 761 34.980 -0.668 -4.688 1.00 0.00 H ATOM 2410 HH12 ARG A 761 34.778 1.728 -1.387 1.00 0.00 H ATOM 2411 HH11 ARG A 761 35.996 0.402 -1.445 1.00 0.00 H ATOM 2412 HH22 ARG A 761 33.353 2.058 -3.124 1.00 0.00 H ATOM 2413 HH21 ARG A 761 33.428 0.997 -4.577 1.00 0.00 H ATOM 2414 H ARG A 761 37.518 -5.300 -2.720 1.00 0.00 H ATOM 2415 N GLY A 762 40.427 -5.432 -4.280 1.00 22.93 N ATOM 2416 CA GLY A 762 41.814 -5.774 -4.602 1.00 22.97 C ATOM 2417 C GLY A 762 41.848 -6.805 -5.705 1.00 27.48 C ATOM 2418 O GLY A 762 42.716 -6.772 -6.586 1.00 26.89 O ATOM 2419 H GLY A 762 40.015 -5.834 -3.414 1.00 0.00 H ATOM 2420 N CYS A 763 40.865 -7.720 -5.662 1.00 25.48 N ATOM 2421 CA CYS A 763 40.688 -8.817 -6.616 1.00 25.50 C ATOM 2422 C CYS A 763 40.084 -8.321 -7.912 1.00 28.19 C ATOM 2423 O CYS A 763 40.158 -9.036 -8.904 1.00 27.68 O ATOM 2424 CB CYS A 763 39.816 -9.914 -6.007 1.00 26.41 C ATOM 2425 SG CYS A 763 40.454 -10.596 -4.464 1.00 30.46 S ATOM 2426 H CYS A 763 40.174 -7.643 -4.889 1.00 0.00 H ATOM 2427 N TRP A 764 39.468 -7.124 -7.894 1.00 21.70 N ATOM 2428 CA TRP A 764 38.767 -6.568 -9.038 1.00 20.07 C ATOM 2429 C TRP A 764 39.436 -5.403 -9.731 1.00 21.66 C ATOM 2430 O TRP A 764 38.780 -4.704 -10.497 1.00 20.83 O ATOM 2431 CB TRP A 764 37.334 -6.182 -8.653 1.00 19.03 C ATOM 2432 CG TRP A 764 36.491 -7.297 -8.113 1.00 20.24 C ATOM 2433 CD1 TRP A 764 36.575 -8.624 -8.422 1.00 22.52 C ATOM 2434 CD2 TRP A 764 35.382 -7.161 -7.216 1.00 19.48 C ATOM 2435 NE1 TRP A 764 35.587 -9.325 -7.770 1.00 22.06 N ATOM 2436 CE2 TRP A 764 34.837 -8.452 -7.025 1.00 23.42 C ATOM 2437 CE3 TRP A 764 34.759 -6.061 -6.593 1.00 20.95 C ATOM 2438 CZ2 TRP A 764 33.718 -8.679 -6.207 1.00 22.55 C ATOM 2439 CZ3 TRP A 764 33.666 -6.283 -5.769 1.00 22.36 C ATOM 2440 CH2 TRP A 764 33.159 -7.575 -5.574 1.00 23.07 C ATOM 2441 HE1 TRP A 764 35.434 -10.352 -7.832 1.00 0.00 H ATOM 2442 H TRP A 764 39.496 -6.569 -7.015 1.00 0.00 H ATOM 2443 N GLN A 765 40.732 -5.201 -9.514 1.00 18.57 N ATOM 2444 CA GLN A 765 41.497 -4.161 -10.192 1.00 18.43 C ATOM 2445 C GLN A 765 41.353 -4.459 -11.683 1.00 22.61 C ATOM 2446 O GLN A 765 41.441 -5.623 -12.052 1.00 21.47 O ATOM 2447 CB GLN A 765 42.965 -4.228 -9.747 1.00 18.79 C ATOM 2448 CG GLN A 765 43.170 -3.799 -8.299 1.00 28.72 C ATOM 2449 CD GLN A 765 42.692 -2.384 -8.079 1.00 35.58 C ATOM 2450 OE1 GLN A 765 43.161 -1.451 -8.740 1.00 26.26 O ATOM 2451 NE2 GLN A 765 41.743 -2.189 -7.162 1.00 24.07 N ATOM 2452 HE22 GLN A 765 41.368 -2.995 -6.622 1.00 0.00 H ATOM 2453 HE21 GLN A 765 41.378 -1.231 -6.987 1.00 0.00 H ATOM 2454 H GLN A 765 41.222 -5.812 -8.830 1.00 0.00 H ATOM 2455 N ARG A 766 41.032 -3.452 -12.529 1.00 20.26 N ATOM 2456 CA ARG A 766 40.816 -3.658 -13.990 1.00 20.58 C ATOM 2457 C ARG A 766 41.963 -4.403 -14.687 1.00 25.48 C ATOM 2458 O ARG A 766 41.717 -5.268 -15.519 1.00 25.78 O ATOM 2459 CB ARG A 766 40.505 -2.323 -14.728 1.00 18.14 C ATOM 2460 CG ARG A 766 39.911 -2.514 -16.119 1.00 25.77 C ATOM 2461 CD ARG A 766 39.167 -1.311 -16.628 1.00 27.84 C ATOM 2462 NE ARG A 766 38.670 -1.544 -17.988 1.00 24.44 N ATOM 2463 CZ ARG A 766 37.477 -2.060 -18.294 1.00 30.81 C ATOM 2464 NH1 ARG A 766 36.624 -2.402 -17.330 1.00 11.20 N ATOM 2465 NH2 ARG A 766 37.122 -2.221 -19.563 1.00 15.57 N ATOM 2466 HE ARG A 766 39.297 -1.287 -18.777 1.00 0.00 H ATOM 2467 HH12 ARG A 766 35.696 -2.803 -17.575 1.00 0.00 H ATOM 2468 HH11 ARG A 766 36.886 -2.268 -16.332 1.00 0.00 H ATOM 2469 HH22 ARG A 766 36.192 -2.623 -19.796 1.00 0.00 H ATOM 2470 HH21 ARG A 766 37.774 -1.945 -20.324 1.00 0.00 H ATOM 2471 H ARG A 766 40.932 -2.492 -12.143 1.00 0.00 H ATOM 2472 N GLU A 767 43.202 -4.058 -14.354 1.00 22.20 N ATOM 2473 CA GLU A 767 44.340 -4.704 -14.975 1.00 21.74 C ATOM 2474 C GLU A 767 44.686 -5.979 -14.222 1.00 25.24 C ATOM 2475 O GLU A 767 44.881 -5.921 -12.997 1.00 24.52 O ATOM 2476 CB GLU A 767 45.567 -3.764 -14.997 1.00 22.19 C ATOM 2477 CG GLU A 767 45.372 -2.472 -15.752 1.00 27.18 C ATOM 2478 CD GLU A 767 46.507 -1.518 -15.476 1.00 42.20 C ATOM 2479 OE1 GLU A 767 46.487 -0.883 -14.400 1.00 36.40 O ATOM 2480 OE2 GLU A 767 47.426 -1.417 -16.316 1.00 33.49 O ATOM 2481 H GLU A 767 43.356 -3.317 -13.641 1.00 0.00 H ATOM 2482 N PRO A 768 44.821 -7.123 -14.941 1.00 22.43 N ATOM 2483 CA PRO A 768 45.188 -8.389 -14.270 1.00 21.72 C ATOM 2484 C PRO A 768 46.475 -8.336 -13.412 1.00 25.71 C ATOM 2485 O PRO A 768 46.473 -8.889 -12.317 1.00 25.54 O ATOM 2486 CB PRO A 768 45.298 -9.373 -15.429 1.00 22.49 C ATOM 2487 CG PRO A 768 44.456 -8.801 -16.505 1.00 26.80 C ATOM 2488 CD PRO A 768 44.607 -7.327 -16.387 1.00 22.62 C ATOM 2489 N GLN A 769 47.551 -7.644 -13.864 1.00 24.00 N ATOM 2490 CA GLN A 769 48.795 -7.544 -13.073 1.00 23.80 C ATOM 2491 C GLN A 769 48.635 -6.649 -11.793 1.00 27.01 C ATOM 2492 O GLN A 769 49.461 -6.734 -10.869 1.00 25.85 O ATOM 2493 CB GLN A 769 50.018 -7.119 -13.930 1.00 25.42 C ATOM 2494 CG GLN A 769 50.174 -5.603 -14.192 1.00 39.63 C ATOM 2495 CD GLN A 769 49.436 -5.055 -15.431 1.00 56.30 C ATOM 2496 OE1 GLN A 769 48.511 -5.693 -16.031 1.00 48.22 O ATOM 2497 NE2 GLN A 769 49.839 -3.838 -15.835 1.00 39.95 N ATOM 2498 HE22 GLN A 769 50.597 -3.345 -15.322 1.00 0.00 H ATOM 2499 HE21 GLN A 769 49.392 -3.390 -16.660 1.00 0.00 H ATOM 2500 H GLN A 769 47.499 -7.173 -14.790 1.00 0.00 H ATOM 2501 N GLN A 770 47.569 -5.817 -11.745 1.00 21.66 N ATOM 2502 CA GLN A 770 47.299 -4.925 -10.615 1.00 21.61 C ATOM 2503 C GLN A 770 46.514 -5.589 -9.489 1.00 28.21 C ATOM 2504 O GLN A 770 46.443 -5.054 -8.374 1.00 28.15 O ATOM 2505 CB GLN A 770 46.565 -3.668 -11.090 1.00 22.38 C ATOM 2506 CG GLN A 770 47.428 -2.652 -11.847 1.00 28.60 C ATOM 2507 CD GLN A 770 48.665 -2.175 -11.119 1.00 44.90 C ATOM 2508 OE1 GLN A 770 49.790 -2.471 -11.535 1.00 35.61 O ATOM 2509 NE2 GLN A 770 48.488 -1.429 -10.037 1.00 35.03 N ATOM 2510 HE22 GLN A 770 47.526 -1.199 -9.715 1.00 0.00 H ATOM 2511 HE21 GLN A 770 49.311 -1.074 -9.510 1.00 0.00 H ATOM 2512 H GLN A 770 46.910 -5.811 -12.549 1.00 0.00 H ATOM 2513 N ARG A 771 45.905 -6.741 -9.783 1.00 25.15 N ATOM 2514 CA ARG A 771 45.094 -7.491 -8.824 1.00 25.57 C ATOM 2515 C ARG A 771 45.971 -8.068 -7.744 1.00 31.22 C ATOM 2516 O ARG A 771 47.107 -8.439 -8.023 1.00 30.47 O ATOM 2517 CB ARG A 771 44.287 -8.603 -9.542 1.00 22.35 C ATOM 2518 CG ARG A 771 43.091 -8.060 -10.310 1.00 20.75 C ATOM 2519 CD ARG A 771 42.566 -9.023 -11.357 1.00 17.99 C ATOM 2520 NE ARG A 771 41.938 -8.258 -12.434 1.00 15.95 N ATOM 2521 CZ ARG A 771 41.460 -8.743 -13.571 1.00 30.85 C ATOM 2522 NH1 ARG A 771 41.525 -10.041 -13.828 1.00 14.60 N ATOM 2523 NH2 ARG A 771 40.921 -7.934 -14.462 1.00 11.53 N ATOM 2524 HE ARG A 771 41.859 -7.231 -12.293 1.00 0.00 H ATOM 2525 HH12 ARG A 771 41.148 -10.414 -14.723 1.00 0.00 H ATOM 2526 HH11 ARG A 771 41.953 -10.687 -13.135 1.00 0.00 H ATOM 2527 HH22 ARG A 771 40.547 -8.317 -15.353 1.00 0.00 H ATOM 2528 HH21 ARG A 771 40.870 -6.913 -14.273 1.00 0.00 H ATOM 2529 H ARG A 771 46.013 -7.125 -10.744 1.00 0.00 H ATOM 2530 N HIS A 772 45.458 -8.133 -6.514 1.00 28.00 N ATOM 2531 CA HIS A 772 46.193 -8.685 -5.369 1.00 28.03 C ATOM 2532 C HIS A 772 46.470 -10.134 -5.578 1.00 29.99 C ATOM 2533 O HIS A 772 45.647 -10.807 -6.188 1.00 30.29 O ATOM 2534 CB HIS A 772 45.446 -8.435 -4.057 1.00 28.85 C ATOM 2535 CG HIS A 772 45.388 -6.982 -3.715 1.00 33.27 C ATOM 2536 ND1 HIS A 772 45.863 -6.011 -4.591 1.00 35.37 N ATOM 2537 CD2 HIS A 772 44.914 -6.372 -2.608 1.00 35.78 C ATOM 2538 CE1 HIS A 772 45.665 -4.853 -3.991 1.00 35.04 C ATOM 2539 NE2 HIS A 772 45.099 -5.015 -2.797 1.00 35.53 N ATOM 2540 H HIS A 772 44.493 -7.776 -6.359 1.00 0.00 H ATOM 2541 N SER A 773 47.643 -10.619 -5.139 1.00 25.08 N ATOM 2542 CA SER A 773 47.966 -12.035 -5.327 1.00 24.09 C ATOM 2543 C SER A 773 47.121 -12.799 -4.364 1.00 25.95 C ATOM 2544 O SER A 773 46.858 -12.297 -3.272 1.00 24.36 O ATOM 2545 CB SER A 773 49.439 -12.309 -5.046 1.00 26.87 C ATOM 2546 OG SER A 773 49.687 -12.700 -3.703 1.00 33.53 O ATOM 2547 HG SER A 773 49.393 -11.979 -3.091 1.00 0.00 H ATOM 2548 H SER A 773 48.322 -9.989 -4.666 1.00 0.00 H ATOM 2549 N ILE A 774 46.722 -14.011 -4.737 1.00 21.44 N ATOM 2550 CA ILE A 774 45.902 -14.876 -3.882 1.00 20.94 C ATOM 2551 C ILE A 774 46.556 -15.094 -2.489 1.00 25.25 C ATOM 2552 O ILE A 774 45.833 -15.070 -1.496 1.00 26.36 O ATOM 2553 CB ILE A 774 45.514 -16.181 -4.617 1.00 23.61 C ATOM 2554 CG1 ILE A 774 44.452 -16.983 -3.849 1.00 24.24 C ATOM 2555 CG2 ILE A 774 46.736 -17.031 -4.985 1.00 23.90 C ATOM 2556 CD1 ILE A 774 43.097 -16.309 -3.731 1.00 30.45 C ATOM 2557 H ILE A 774 47.003 -14.361 -5.675 1.00 0.00 H ATOM 2558 N LYS A 775 47.900 -15.234 -2.410 1.00 21.84 N ATOM 2559 CA LYS A 775 48.610 -15.388 -1.133 1.00 21.75 C ATOM 2560 C LYS A 775 48.319 -14.200 -0.205 1.00 26.97 C ATOM 2561 O LYS A 775 48.018 -14.410 0.975 1.00 27.12 O ATOM 2562 CB LYS A 775 50.118 -15.539 -1.338 1.00 23.98 C ATOM 2563 CG LYS A 775 50.603 -16.940 -1.071 1.00 37.89 C ATOM 2564 CD LYS A 775 52.137 -17.071 -1.014 1.00 48.04 C ATOM 2565 CE LYS A 775 52.548 -18.486 -0.597 1.00 56.51 C ATOM 2566 NZ LYS A 775 53.895 -18.891 -1.110 1.00 59.19 N ATOM 2567 HZ1 LYS A 775 53.892 -18.860 -2.150 1.00 0.00 H ATOM 2568 HZ2 LYS A 775 54.615 -18.236 -0.744 1.00 0.00 H ATOM 2569 HZ3 LYS A 775 54.110 -19.857 -0.791 1.00 0.00 H ATOM 2570 H LYS A 775 48.453 -15.232 -3.290 1.00 0.00 H ATOM 2571 N ASP A 776 48.380 -12.959 -0.736 1.00 24.62 N ATOM 2572 CA ASP A 776 48.107 -11.756 0.071 1.00 24.60 C ATOM 2573 C ASP A 776 46.683 -11.732 0.550 1.00 27.10 C ATOM 2574 O ASP A 776 46.424 -11.417 1.711 1.00 27.50 O ATOM 2575 CB ASP A 776 48.455 -10.457 -0.684 1.00 28.86 C ATOM 2576 CG ASP A 776 49.942 -10.265 -0.927 1.00 45.10 C ATOM 2577 OD1 ASP A 776 50.758 -10.778 -0.102 1.00 46.60 O ATOM 2578 OD2 ASP A 776 50.301 -9.601 -1.941 1.00 51.04 O ATOM 2579 H ASP A 776 48.626 -12.850 -1.741 1.00 0.00 H ATOM 2580 N VAL A 777 45.762 -12.098 -0.357 1.00 24.14 N ATOM 2581 CA VAL A 777 44.323 -12.175 -0.069 1.00 24.31 C ATOM 2582 C VAL A 777 44.107 -13.171 1.076 1.00 30.48 C ATOM 2583 O VAL A 777 43.468 -12.825 2.061 1.00 29.84 O ATOM 2584 CB VAL A 777 43.464 -12.483 -1.323 1.00 27.74 C ATOM 2585 CG1 VAL A 777 42.017 -12.765 -0.930 1.00 27.62 C ATOM 2586 CG2 VAL A 777 43.532 -11.328 -2.338 1.00 27.13 C ATOM 2587 H VAL A 777 46.085 -12.340 -1.315 1.00 0.00 H ATOM 2588 N HIS A 778 44.707 -14.369 0.964 1.00 25.27 N ATOM 2589 CA HIS A 778 44.626 -15.413 1.959 1.00 25.55 C ATOM 2590 C HIS A 778 45.130 -14.943 3.344 1.00 28.70 C ATOM 2591 O HIS A 778 44.415 -15.081 4.347 1.00 28.74 O ATOM 2592 CB HIS A 778 45.333 -16.674 1.455 1.00 26.98 C ATOM 2593 CG HIS A 778 45.439 -17.744 2.494 1.00 31.15 C ATOM 2594 ND1 HIS A 778 44.313 -18.242 3.140 1.00 33.17 N ATOM 2595 CD2 HIS A 778 46.536 -18.361 2.985 1.00 33.05 C ATOM 2596 CE1 HIS A 778 44.763 -19.143 4.001 1.00 32.55 C ATOM 2597 NE2 HIS A 778 46.096 -19.247 3.944 1.00 32.82 N ATOM 2598 H HIS A 778 45.265 -14.556 0.106 1.00 0.00 H ATOM 2599 N ALA A 779 46.336 -14.361 3.378 1.00 22.02 N ATOM 2600 CA ALA A 779 46.991 -13.826 4.574 1.00 20.89 C ATOM 2601 C ALA A 779 46.091 -12.781 5.292 1.00 25.31 C ATOM 2602 O ALA A 779 45.986 -12.773 6.518 1.00 26.25 O ATOM 2603 CB ALA A 779 48.330 -13.211 4.179 1.00 20.86 C ATOM 2604 H ALA A 779 46.851 -14.282 2.478 1.00 0.00 H ATOM 2605 N ARG A 780 45.423 -11.939 4.519 1.00 22.13 N ATOM 2606 CA ARG A 780 44.528 -10.921 5.039 1.00 22.12 C ATOM 2607 C ARG A 780 43.243 -11.545 5.620 1.00 26.54 C ATOM 2608 O ARG A 780 42.865 -11.195 6.736 1.00 26.24 O ATOM 2609 CB ARG A 780 44.266 -9.845 3.964 1.00 24.97 C ATOM 2610 CG ARG A 780 43.359 -8.706 4.389 1.00 39.02 C ATOM 2611 CD ARG A 780 43.951 -7.713 5.395 1.00 55.90 C ATOM 2612 NE ARG A 780 42.929 -6.757 5.841 1.00 66.66 N ATOM 2613 CZ ARG A 780 42.893 -6.202 7.048 1.00 82.29 C ATOM 2614 NH1 ARG A 780 43.828 -6.489 7.948 1.00 66.46 N ATOM 2615 NH2 ARG A 780 41.919 -5.358 7.367 1.00 63.78 N ATOM 2616 HE ARG A 780 42.182 -6.496 5.166 1.00 0.00 H ATOM 2617 HH12 ARG A 780 43.794 -6.051 8.891 1.00 0.00 H ATOM 2618 HH11 ARG A 780 44.594 -7.151 7.709 1.00 0.00 H ATOM 2619 HH22 ARG A 780 41.894 -4.926 8.313 1.00 0.00 H ATOM 2620 HH21 ARG A 780 41.181 -5.129 6.671 1.00 0.00 H ATOM 2621 H ARG A 780 45.545 -12.010 3.489 1.00 0.00 H ATOM 2622 N LEU A 781 42.584 -12.481 4.881 1.00 26.68 N ATOM 2623 CA LEU A 781 41.371 -13.176 5.347 1.00 26.57 C ATOM 2624 C LEU A 781 41.700 -13.959 6.617 1.00 31.46 C ATOM 2625 O LEU A 781 40.914 -13.931 7.554 1.00 29.87 O ATOM 2626 CB LEU A 781 40.755 -14.095 4.280 1.00 25.44 C ATOM 2627 CG LEU A 781 40.013 -13.397 3.153 1.00 29.54 C ATOM 2628 CD1 LEU A 781 39.710 -14.361 2.071 1.00 29.07 C ATOM 2629 CD2 LEU A 781 38.724 -12.733 3.637 1.00 30.40 C ATOM 2630 H LEU A 781 42.956 -12.717 3.939 1.00 0.00 H ATOM 2631 N GLN A 782 42.887 -14.605 6.666 1.00 30.50 N ATOM 2632 CA GLN A 782 43.360 -15.323 7.849 1.00 30.84 C ATOM 2633 C GLN A 782 43.606 -14.319 9.009 1.00 34.97 C ATOM 2634 O GLN A 782 43.157 -14.563 10.130 1.00 34.03 O ATOM 2635 CB GLN A 782 44.641 -16.076 7.529 1.00 33.36 C ATOM 2636 CG GLN A 782 44.473 -17.568 7.649 1.00 48.27 C ATOM 2637 CD GLN A 782 45.834 -18.202 7.641 1.00 68.36 C ATOM 2638 OE1 GLN A 782 46.464 -18.377 6.586 1.00 62.38 O ATOM 2639 NE2 GLN A 782 46.326 -18.539 8.828 1.00 57.74 N ATOM 2640 HE22 GLN A 782 45.766 -18.376 9.689 1.00 0.00 H ATOM 2641 HE21 GLN A 782 47.272 -18.966 8.897 1.00 0.00 H ATOM 2642 H GLN A 782 43.493 -14.591 5.821 1.00 0.00 H ATOM 2643 N ALA A 783 44.282 -13.175 8.728 1.00 28.27 N ATOM 2644 CA ALA A 783 44.530 -12.160 9.741 1.00 27.92 C ATOM 2645 C ALA A 783 43.211 -11.715 10.372 1.00 34.61 C ATOM 2646 O ALA A 783 43.137 -11.668 11.594 1.00 35.67 O ATOM 2647 CB ALA A 783 45.263 -10.975 9.146 1.00 27.24 C ATOM 2648 H ALA A 783 44.632 -13.020 7.761 1.00 0.00 H ATOM 2649 N LEU A 784 42.167 -11.433 9.556 1.00 31.36 N ATOM 2650 CA LEU A 784 40.862 -10.989 10.040 1.00 31.24 C ATOM 2651 C LEU A 784 40.158 -12.076 10.829 1.00 35.81 C ATOM 2652 O LEU A 784 39.633 -11.815 11.912 1.00 35.21 O ATOM 2653 CB LEU A 784 39.982 -10.488 8.887 1.00 30.97 C ATOM 2654 CG LEU A 784 40.387 -9.140 8.246 1.00 35.23 C ATOM 2655 CD1 LEU A 784 39.692 -8.940 6.899 1.00 34.83 C ATOM 2656 CD2 LEU A 784 40.105 -7.955 9.181 1.00 36.24 C ATOM 2657 H LEU A 784 42.302 -11.538 8.530 1.00 0.00 H ATOM 2658 N ALA A 785 40.184 -13.301 10.307 1.00 35.40 N ATOM 2659 CA ALA A 785 39.592 -14.471 10.944 1.00 35.61 C ATOM 2660 C ALA A 785 40.175 -14.651 12.359 1.00 41.55 C ATOM 2661 O ALA A 785 39.419 -14.887 13.302 1.00 40.71 O ATOM 2662 CB ALA A 785 39.857 -15.702 10.102 1.00 35.46 C ATOM 2663 H ALA A 785 40.655 -13.431 9.389 1.00 0.00 H ATOM 2664 N GLN A 786 41.507 -14.489 12.493 1.00 41.64 N ATOM 2665 CA GLN A 786 42.303 -14.593 13.724 1.00 42.39 C ATOM 2666 C GLN A 786 41.985 -13.487 14.735 1.00 47.39 C ATOM 2667 O GLN A 786 42.108 -13.704 15.944 1.00 47.22 O ATOM 2668 CB GLN A 786 43.800 -14.529 13.374 1.00 44.47 C ATOM 2669 CG GLN A 786 44.388 -15.847 12.888 1.00 58.00 C ATOM 2670 CD GLN A 786 44.835 -16.706 14.037 1.00 76.70 C ATOM 2671 OE1 GLN A 786 44.022 -17.159 14.857 1.00 70.43 O ATOM 2672 NE2 GLN A 786 46.146 -16.944 14.123 1.00 66.38 N ATOM 2673 HE22 GLN A 786 46.794 -16.545 13.414 1.00 0.00 H ATOM 2674 HE21 GLN A 786 46.519 -17.528 14.899 1.00 0.00 H ATOM 2675 H GLN A 786 42.032 -14.264 11.624 1.00 0.00 H ATOM 2676 N ALA A 787 41.594 -12.304 14.234 1.00 42.70 N ATOM 2677 CA ALA A 787 41.240 -11.124 15.023 1.00 42.74 C ATOM 2678 C ALA A 787 39.762 -11.129 15.489 1.00 47.05 C ATOM 2679 O ALA A 787 39.333 -10.185 16.159 1.00 46.59 O ATOM 2680 CB ALA A 787 41.518 -9.879 14.201 1.00 43.07 C ATOM 2681 H ALA A 787 41.538 -12.220 13.199 1.00 0.00 H ATOM 2682 N HIS A 788 38.988 -12.176 15.130 1.00 43.55 N ATOM 2683 CA HIS A 788 37.577 -12.284 15.490 1.00 43.11 C ATOM 2684 C HIS A 788 37.235 -13.640 16.183 1.00 44.57 C ATOM 2685 O HIS A 788 36.076 -13.865 16.586 1.00 43.60 O ATOM 2686 CB HIS A 788 36.685 -11.990 14.260 1.00 45.41 C ATOM 2687 CG HIS A 788 35.280 -11.626 14.629 1.00 49.41 C ATOM 2688 ND1 HIS A 788 34.258 -12.585 14.652 1.00 51.44 N ATOM 2689 CD2 HIS A 788 34.771 -10.437 15.031 1.00 51.52 C ATOM 2690 CE1 HIS A 788 33.164 -11.940 15.041 1.00 50.94 C ATOM 2691 NE2 HIS A 788 33.420 -10.647 15.291 1.00 51.27 N ATOM 2692 H HIS A 788 39.417 -12.941 14.571 1.00 0.00 H ATOM 2693 N HIS A 789 38.276 -14.524 16.343 1.00 39.29 N ATOM 2694 CA HIS A 789 38.196 -15.850 16.975 1.00 38.18 C ATOM 2695 C HIS A 789 37.654 -15.828 18.394 1.00 38.85 C ATOM 2696 O HIS A 789 36.900 -16.737 18.755 1.00 38.87 O ATOM 2697 CB HIS A 789 39.558 -16.569 16.970 1.00 39.48 C ATOM 2698 CG HIS A 789 39.725 -17.509 15.819 1.00 43.28 C ATOM 2699 ND1 HIS A 789 40.954 -17.697 15.218 1.00 45.25 N ATOM 2700 CD2 HIS A 789 38.800 -18.255 15.164 1.00 44.82 C ATOM 2701 CE1 HIS A 789 40.742 -18.552 14.228 1.00 44.40 C ATOM 2702 NE2 HIS A 789 39.462 -18.911 14.155 1.00 44.59 N ATOM 2703 H HIS A 789 39.206 -14.228 15.984 1.00 0.00 H ATOM 2704 N HIS A 790 38.050 -14.806 19.201 1.00 33.40 N ATOM 2705 CA HIS A 790 37.626 -14.687 20.590 1.00 32.06 C ATOM 2706 C HIS A 790 36.550 -13.638 20.835 1.00 35.56 C ATOM 2707 O HIS A 790 36.174 -13.418 21.991 1.00 35.23 O ATOM 2708 CB HIS A 790 38.842 -14.437 21.481 1.00 32.44 C ATOM 2709 CG HIS A 790 39.870 -15.522 21.390 1.00 35.80 C ATOM 2710 ND1 HIS A 790 39.587 -16.826 21.773 1.00 37.36 N ATOM 2711 CD2 HIS A 790 41.141 -15.470 20.936 1.00 37.62 C ATOM 2712 CE1 HIS A 790 40.689 -17.515 21.532 1.00 36.62 C ATOM 2713 NE2 HIS A 790 41.649 -16.743 21.029 1.00 37.06 N ATOM 2714 H HIS A 790 38.682 -14.079 18.810 1.00 0.00 H ATOM 2715 N HIS A 791 36.044 -12.987 19.771 1.00 30.50 N ATOM 2716 CA HIS A 791 35.054 -11.936 19.944 1.00 51.42 C ATOM 2717 C HIS A 791 33.807 -12.149 19.078 1.00 71.13 C ATOM 2718 O HIS A 791 33.280 -13.264 18.984 1.00 41.52 O ATOM 2719 CB HIS A 791 35.700 -10.567 19.664 1.00 51.92 C ATOM 2720 CG HIS A 791 37.040 -10.346 20.320 1.00 55.65 C ATOM 2721 ND1 HIS A 791 37.160 -9.651 21.524 1.00 57.46 N ATOM 2722 CD2 HIS A 791 38.281 -10.704 19.906 1.00 57.72 C ATOM 2723 CE1 HIS A 791 38.457 -9.616 21.796 1.00 56.96 C ATOM 2724 NE2 HIS A 791 39.171 -10.240 20.857 1.00 57.36 N ATOM 2725 H HIS A 791 36.365 -13.239 18.814 1.00 0.00 H TER 2726 HIS A 791 HETATM 2727 O HOH 1 18.945 -32.814 16.113 1.00 6.74 O HETATM 2728 O HOH 2 43.198 -18.256 -21.756 1.00 15.17 O HETATM 2729 O HOH 3 43.704 -22.419 -22.897 1.00 21.10 O HETATM 2730 O HOH 4 34.454 -18.788 -27.498 1.00 30.82 O HETATM 2731 O HOH 5 29.722 -27.967 8.196 1.00 39.65 O HETATM 2732 O HOH 6 44.327 -1.696 -12.562 1.00 37.58 O HETATM 2733 O HOH 7 23.717 -28.047 5.837 1.00 33.36 O HETATM 2734 O HOH 8 25.370 -21.525 12.649 1.00 19.38 O HETATM 2735 O HOH 9 30.528 -17.007 14.230 1.00 31.93 O HETATM 2736 O HOH 10 38.873 -0.883 5.663 1.00 30.22 O HETATM 2737 O HOH 11 32.791 -10.846 -12.971 1.00 18.54 O HETATM 2738 O HOH 12 28.315 -11.961 12.938 1.00 9.05 O HETATM 2739 O HOH 13 43.292 -13.399 -17.323 1.00 20.82 O HETATM 2740 O HOH 14 31.612 0.678 1.145 1.00 31.51 O HETATM 2741 O HOH 15 28.232 -0.482 -1.942 1.00 34.58 O HETATM 2742 O HOH 16 33.659 -5.308 -13.573 1.00 28.41 O HETATM 2743 O HOH 17 23.108 -8.025 1.049 1.00 27.62 O HETATM 2744 O HOH 18 22.857 -9.806 6.533 1.00 28.15 O HETATM 2745 O HOH 19 20.474 -15.504 -15.628 1.00 24.17 O HETATM 2746 O HOH 20 50.108 -6.752 -7.710 1.00 34.73 O HETATM 2747 O HOH 21 24.061 -34.139 -0.666 1.00 28.25 O HETATM 2748 O HOH 22 37.538 -47.653 7.408 1.00 44.97 O HETATM 2749 O HOH 23 28.112 -20.557 -7.129 1.00 9.72 O HETATM 2750 O HOH 24 25.620 -17.194 -6.305 1.00 27.22 O HETATM 2751 O HOH 25 42.676 -21.562 6.084 1.00 22.33 O HETATM 2752 O HOH 26 27.280 -16.140 -15.253 1.00 27.21 O HETATM 2753 C2 UNN A 27 35.841 -33.344 -9.330 1.00 0.23 C HETATM 2754 C3 UNN A 27 37.047 -32.714 -8.772 1.00 0.05 C HETATM 2755 C8 UNN A 27 37.713 -31.705 -9.472 1.00 -0.04 C HETATM 2756 C7 UNN A 27 38.877 -31.149 -8.965 1.00 -0.06 C HETATM 2757 C6 UNN A 27 39.389 -31.582 -7.752 1.00 -0.06 C HETATM 2758 C5 UNN A 27 38.727 -32.569 -7.041 1.00 -0.06 C HETATM 2759 C4 UNN A 27 37.562 -33.130 -7.541 1.00 -0.04 C HETATM 2760 H UNN A 27 37.047 -33.897 -6.973 1.00 0.07 H HETATM 2761 H UNN A 27 39.122 -32.905 -6.089 1.00 0.06 H HETATM 2762 H UNN A 27 40.303 -31.150 -7.362 1.00 0.06 H HETATM 2763 H UNN A 27 39.389 -30.372 -9.520 1.00 0.06 H HETATM 2764 H UNN A 27 37.317 -31.355 -10.418 1.00 0.07 H HETATM 2765 N2 UNN A 27 35.076 -34.229 -8.775 1.00 -0.26 N HETATM 2766 C1 UNN A 27 34.196 -34.546 -9.771 1.00 0.12 C HETATM 2767 C UNN A 27 33.071 -35.523 -9.577 1.00 0.11 C HETATM 2768 N UNN A 27 31.967 -34.949 -8.817 1.00 -0.23 N HETATM 2769 C9 UNN A 27 30.763 -34.468 -9.323 1.00 0.10 C HETATM 2770 C10 UNN A 27 30.520 -34.206 -10.777 1.00 0.09 C HETATM 2771 O2 UNN A 27 29.333 -33.980 -11.121 1.00 -0.56 O HETATM 2772 O1 UNN A 27 31.511 -34.173 -11.542 1.00 -0.56 O HETATM 2773 C11 UNN A 27 29.936 -34.185 -8.281 1.00 -0.04 C HETATM 2774 C12 UNN A 27 30.624 -34.439 -7.039 1.00 0.01 C HETATM 2775 C13 UNN A 27 30.368 -34.344 -5.635 1.00 0.04 C HETATM 2776 N3 UNN A 27 31.298 -34.673 -4.718 1.00 -0.31 N HETATM 2777 C24 UNN A 27 32.503 -35.100 -5.142 1.00 -0.01 C HETATM 2778 C25 UNN A 27 32.863 -35.232 -6.474 1.00 -0.02 C HETATM 2779 C26 UNN A 27 31.901 -34.904 -7.422 1.00 0.09 C HETATM 2780 H UNN A 27 33.850 -35.575 -6.763 1.00 0.06 H HETATM 2781 H UNN A 27 33.241 -35.358 -4.391 1.00 0.07 H HETATM 2782 C14 UNN A 27 29.052 -33.950 -5.065 1.00 0.00 C HETATM 2783 C15 UNN A 27 28.348 -32.753 -5.465 1.00 -0.01 C HETATM 2784 C20 UNN A 27 28.881 -31.785 -6.368 1.00 -0.05 C HETATM 2785 C19 UNN A 27 28.172 -30.666 -6.714 1.00 -0.06 C HETATM 2786 C18 UNN A 27 26.912 -30.432 -6.180 1.00 -0.06 C HETATM 2787 C17 UNN A 27 26.354 -31.320 -5.300 1.00 -0.05 C HETATM 2788 C16 UNN A 27 27.047 -32.502 -4.918 1.00 -0.02 C HETATM 2789 C21 UNN A 27 26.501 -33.427 -3.989 1.00 -0.05 C HETATM 2790 C22 UNN A 27 27.203 -34.535 -3.619 1.00 -0.06 C HETATM 2791 C23 UNN A 27 28.458 -34.794 -4.150 1.00 -0.05 C HETATM 2792 H UNN A 27 28.988 -35.686 -3.837 1.00 0.06 H HETATM 2793 H UNN A 27 26.775 -35.224 -2.900 1.00 0.06 H HETATM 2794 H UNN A 27 25.517 -33.250 -3.570 1.00 0.06 H HETATM 2795 H UNN A 27 25.371 -31.120 -4.889 1.00 0.06 H HETATM 2796 H UNN A 27 26.366 -29.539 -6.462 1.00 0.06 H HETATM 2797 H UNN A 27 28.599 -29.955 -7.412 1.00 0.06 H HETATM 2798 H UNN A 27 29.868 -31.939 -6.789 1.00 0.06 H HETATM 2799 H UNN A 27 28.913 -33.823 -8.370 1.00 0.04 H HETATM 2800 H UNN A 27 32.698 -35.834 -10.564 1.00 0.08 H HETATM 2801 H UNN A 27 33.454 -36.401 -9.037 1.00 0.08 H HETATM 2802 N1 UNN A 27 34.387 -33.914 -10.888 1.00 -0.13 N HETATM 2803 O UNN A 27 35.505 -33.081 -10.603 1.00 -0.15 O CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 328 329 333 334 335 CONECT 333 328 CONECT 334 328 CONECT 335 328 CONECT 434 435 441 442 443 CONECT 441 434 CONECT 442 434 CONECT 443 434 CONECT 1648 1649 1653 1654 1655 CONECT 1653 1648 CONECT 1654 1648 CONECT 1655 1648 CONECT 2753 2754 2765 2803 CONECT 2754 2753 2755 2759 CONECT 2755 2754 2756 2764 CONECT 2756 2755 2757 2763 CONECT 2757 2756 2758 2762 CONECT 2758 2757 2759 2761 CONECT 2759 2754 2758 2760 CONECT 2760 2759 CONECT 2761 2758 CONECT 2762 2757 CONECT 2763 2756 CONECT 2764 2755 CONECT 2765 2753 2766 CONECT 2766 2765 2767 2802 CONECT 2767 2766 2768 2800 2801 CONECT 2768 2767 2769 2779 CONECT 2769 2768 2770 2773 CONECT 2770 2769 2771 2772 CONECT 2771 2770 CONECT 2772 2770 CONECT 2773 2769 2774 2799 CONECT 2774 2773 2775 2779 CONECT 2775 2774 2776 2782 CONECT 2776 2775 2777 CONECT 2777 2776 2778 2781 CONECT 2778 2777 2779 2780 CONECT 2779 2768 2774 2778 CONECT 2780 2778 CONECT 2781 2777 CONECT 2782 2775 2783 2791 CONECT 2783 2782 2784 2788 CONECT 2784 2783 2785 2798 CONECT 2785 2784 2786 2797 CONECT 2786 2785 2787 2796 CONECT 2787 2786 2788 2795 CONECT 2788 2783 2787 2789 CONECT 2789 2788 2790 2794 CONECT 2790 2789 2791 2793 CONECT 2791 2782 2790 2792 CONECT 2792 2791 CONECT 2793 2790 CONECT 2794 2789 CONECT 2795 2787 CONECT 2796 2786 CONECT 2797 2785 CONECT 2798 2784 CONECT 2799 2773 CONECT 2800 2767 CONECT 2801 2767 CONECT 2802 2766 2803 CONECT 2803 2753 2802 MASTER 0 0 0 0 0 0 0 0 2799 4 67 24 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4pms
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
High affinity nerve growth factor receptor TrkA
Ligand Name
31X
EC.Number
E.C.2.7.10.1
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
Kd=7.9nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 5800-5816
Ligand Properties
Formula
C
2
7
H
1
8
N
4
O
3
Molecular Weight
446.457
Exact Mass
446.138
No. of atoms
52
No. of bonds
57
Polar Surface Area
94.04
LOGP Value
6.00 (
Computed with XLOGP3
)
5.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
Canonical SMILES
OC(=O)c1cc2c(n1Cc1noc(n1)c1ccccc1)ccnc2c1cccc2c1cccc2
InChI String
InChI=1S/C27H18N4O3/c32-27(33)23-15-21-22(31(23)16-24-29-26(34-30-24)18-8-2-1-3-9-18)13-14-28-25(21)20-12-6-10-17-7-4-5-11-19(17)20/h1-15H,16H2,(H,32,33)
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):
P04629
Entrez Gene ID
NCBI Entrez Gene ID:
4914
ASD
Information of known allosteric effects of PDB entries
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