USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 807 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 ASN :FLIP amide:sc= -4.22! C(o=-4.8!,f=-3.8!) USER MOD Set 1.2: A 96 THR OG1 : rot 92:sc= 0.024 USER MOD Set 1.3: A 98 SER OG : rot 180:sc= 0.413 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.118 F(o=-1.1,f=-0.12) USER MOD Single : A 19 GLN : amide:sc= -0.0645 X(o=-0.065,f=0) USER MOD Single : A 29 SER OG : rot 86:sc= 0.23 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 33 TYR OH : rot -139:sc= -0.962! USER MOD Single : A 34 SER OG : rot -44:sc= 0.917 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 37 SER OG : rot 36:sc= 0.244 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -7.17! C(o=-11!,f=-7.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -54:sc= 0.559 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00887 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -21:sc= 0.281! USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -1.19 X(o=-1.2,f=-1) USER MOD Single : A 73 SER OG : rot 180:sc= 0.121 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.888! C(o=-2.4!,f=-0.89!) USER MOD Single : A 82 HIS : no HD1:sc= -2.46 X(o=-2.5,f=-2.2) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -164:sc= -1.78! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 77:sc= 1.1 USER MOD Single : A 97 TYR OH : rot 57:sc= -3.47 USER MOD Single : A 100 ASN : amide:sc= -4.52 K(o=-4.5,f=-7.7!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= -0.136 F(o=-0.67,f=-0.14) USER MOD Single : A 109 SER OG : rot 135:sc= -6.23! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.811 USER MOD Single : A 125 GLN : amide:sc=-0.00646 X(o=-0.0065,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 7 31.572 -7.029 -0.730 1.00 0.00 N ATOM 2 CA ARG A 7 31.852 -5.979 -1.702 1.00 0.00 C ATOM 3 C ARG A 7 30.667 -5.025 -1.804 1.00 0.00 C ATOM 4 O ARG A 7 29.749 -5.080 -0.985 1.00 0.00 O ATOM 5 CB ARG A 7 32.154 -6.587 -3.073 1.00 0.00 C ATOM 6 CG ARG A 7 33.240 -7.651 -3.042 1.00 0.00 C ATOM 7 CD ARG A 7 34.620 -7.034 -2.874 1.00 0.00 C ATOM 8 NE ARG A 7 35.125 -7.187 -1.513 1.00 0.00 N ATOM 9 CZ ARG A 7 36.127 -6.470 -1.015 1.00 0.00 C ATOM 10 NH1 ARG A 7 36.728 -5.556 -1.765 1.00 0.00 N ATOM 11 NH2 ARG A 7 36.531 -6.667 0.232 1.00 0.00 N ATOM 0 HA ARG A 7 32.726 -5.422 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 7 31.241 -7.024 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 7 32.455 -5.792 -3.755 1.00 0.00 H new ATOM 0 HG2 ARG A 7 33.048 -8.344 -2.223 1.00 0.00 H new ATOM 0 HG3 ARG A 7 33.209 -8.231 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 7 35.314 -7.501 -3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 7 34.577 -5.975 -3.128 1.00 0.00 H new ATOM 0 HE ARG A 7 34.684 -7.883 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 7 36.421 -5.403 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 7 37.497 -5.007 -1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 7 36.073 -7.370 0.812 1.00 0.00 H new ATOM 0 HH22 ARG A 7 37.300 -6.115 0.612 1.00 0.00 H new ATOM 25 N ARG A 8 30.699 -4.135 -2.796 1.00 0.00 N ATOM 26 CA ARG A 8 29.614 -3.186 -3.016 1.00 0.00 C ATOM 27 C ARG A 8 29.124 -2.585 -1.700 1.00 0.00 C ATOM 28 O ARG A 8 29.797 -2.679 -0.674 1.00 0.00 O ATOM 29 CB ARG A 8 28.462 -3.879 -3.739 1.00 0.00 C ATOM 30 CG ARG A 8 28.902 -4.979 -4.695 1.00 0.00 C ATOM 31 CD ARG A 8 28.200 -4.865 -6.038 1.00 0.00 C ATOM 32 NE ARG A 8 29.099 -5.145 -7.152 1.00 0.00 N ATOM 33 CZ ARG A 8 29.609 -6.346 -7.403 1.00 0.00 C ATOM 34 NH1 ARG A 8 29.309 -7.372 -6.618 1.00 0.00 N ATOM 35 NH2 ARG A 8 30.420 -6.523 -8.437 1.00 0.00 N ATOM 0 H ARG A 8 31.468 -4.054 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 8 29.993 -2.371 -3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 8 27.786 -4.305 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.895 -3.133 -4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 8 29.981 -4.925 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 8 28.689 -5.953 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 8 27.360 -5.559 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.789 -3.861 -6.148 1.00 0.00 H new ATOM 0 HE ARG A 8 29.350 -4.376 -7.773 1.00 0.00 H new ATOM 0 HH11 ARG A 8 28.686 -7.239 -5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 8 29.701 -8.294 -6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 8 30.654 -5.736 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 8 30.810 -7.446 -8.627 1.00 0.00 H new ATOM 49 N CYS A 9 27.949 -1.972 -1.737 1.00 0.00 N ATOM 50 CA CYS A 9 27.359 -1.379 -0.547 1.00 0.00 C ATOM 51 C CYS A 9 26.724 -2.455 0.325 1.00 0.00 C ATOM 52 O CYS A 9 26.457 -3.563 -0.139 1.00 0.00 O ATOM 53 CB CYS A 9 26.309 -0.344 -0.940 1.00 0.00 C ATOM 54 SG CYS A 9 26.989 1.290 -1.365 1.00 0.00 S ATOM 0 H CYS A 9 27.385 -1.873 -2.581 1.00 0.00 H new ATOM 0 HA CYS A 9 28.149 -0.887 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.744 -0.722 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.604 -0.228 -0.117 1.00 0.00 H new ATOM 59 N PRO A 10 26.477 -2.148 1.607 1.00 0.00 N ATOM 60 CA PRO A 10 25.863 -3.097 2.534 1.00 0.00 C ATOM 61 C PRO A 10 24.399 -3.344 2.199 1.00 0.00 C ATOM 62 O PRO A 10 23.807 -2.625 1.394 1.00 0.00 O ATOM 63 CB PRO A 10 26.002 -2.415 3.892 1.00 0.00 C ATOM 64 CG PRO A 10 26.048 -0.965 3.574 1.00 0.00 C ATOM 65 CD PRO A 10 26.755 -0.851 2.250 1.00 0.00 C ATOM 0 HA PRO A 10 26.337 -4.078 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.161 -2.652 4.544 1.00 0.00 H new ATOM 0 HB3 PRO A 10 26.906 -2.738 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.043 -0.546 3.517 1.00 0.00 H new ATOM 0 HG3 PRO A 10 26.580 -0.413 4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.372 -0.019 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.825 -0.686 2.378 1.00 0.00 H new ATOM 73 N SER A 11 23.824 -4.372 2.807 1.00 0.00 N ATOM 74 CA SER A 11 22.431 -4.720 2.561 1.00 0.00 C ATOM 75 C SER A 11 21.527 -3.500 2.723 1.00 0.00 C ATOM 76 O SER A 11 21.271 -3.056 3.842 1.00 0.00 O ATOM 77 CB SER A 11 21.986 -5.828 3.517 1.00 0.00 C ATOM 78 OG SER A 11 20.936 -6.596 2.956 1.00 0.00 O ATOM 0 H SER A 11 24.300 -4.980 3.474 1.00 0.00 H new ATOM 0 HA SER A 11 22.347 -5.077 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.832 -6.476 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.656 -5.389 4.459 1.00 0.00 H new ATOM 0 HG SER A 11 20.671 -7.298 3.586 1.00 0.00 H new ATOM 84 N PRO A 12 21.038 -2.930 1.607 1.00 0.00 N ATOM 85 CA PRO A 12 20.152 -1.766 1.651 1.00 0.00 C ATOM 86 C PRO A 12 18.985 -1.982 2.603 1.00 0.00 C ATOM 87 O PRO A 12 18.551 -3.113 2.819 1.00 0.00 O ATOM 88 CB PRO A 12 19.647 -1.637 0.216 1.00 0.00 C ATOM 89 CG PRO A 12 20.683 -2.302 -0.623 1.00 0.00 C ATOM 90 CD PRO A 12 21.278 -3.392 0.227 1.00 0.00 C ATOM 0 HA PRO A 12 20.666 -0.875 2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.675 -2.116 0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.524 -0.591 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 12 20.243 -2.714 -1.531 1.00 0.00 H new ATOM 0 HG3 PRO A 12 21.448 -1.590 -0.934 1.00 0.00 H new ATOM 0 HD2 PRO A 12 20.800 -4.353 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.342 -3.520 0.027 1.00 0.00 H new ATOM 98 N ARG A 13 18.482 -0.897 3.178 1.00 0.00 N ATOM 99 CA ARG A 13 17.341 -0.982 4.076 1.00 0.00 C ATOM 100 C ARG A 13 16.187 -1.664 3.365 1.00 0.00 C ATOM 101 O ARG A 13 16.166 -1.738 2.139 1.00 0.00 O ATOM 102 CB ARG A 13 16.924 0.411 4.551 1.00 0.00 C ATOM 103 CG ARG A 13 17.632 0.857 5.820 1.00 0.00 C ATOM 104 CD ARG A 13 19.024 1.392 5.523 1.00 0.00 C ATOM 105 NE ARG A 13 19.428 2.425 6.473 1.00 0.00 N ATOM 106 CZ ARG A 13 20.530 3.157 6.340 1.00 0.00 C ATOM 107 NH1 ARG A 13 21.333 2.968 5.301 1.00 0.00 N ATOM 108 NH2 ARG A 13 20.831 4.078 7.245 1.00 0.00 N ATOM 0 H ARG A 13 18.845 0.046 3.039 1.00 0.00 H new ATOM 0 HA ARG A 13 17.622 -1.568 4.951 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.127 1.132 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.848 0.420 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.042 1.629 6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.704 0.018 6.512 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.741 0.572 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.048 1.800 4.512 1.00 0.00 H new ATOM 0 HE ARG A 13 18.832 2.594 7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.105 2.260 4.603 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.178 3.530 5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.217 4.226 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 13 21.677 4.638 7.141 1.00 0.00 H new ATOM 122 N ASP A 14 15.250 -2.195 4.129 1.00 0.00 N ATOM 123 CA ASP A 14 14.133 -2.911 3.543 1.00 0.00 C ATOM 124 C ASP A 14 12.821 -2.173 3.756 1.00 0.00 C ATOM 125 O ASP A 14 12.796 -1.048 4.254 1.00 0.00 O ATOM 126 CB ASP A 14 14.046 -4.313 4.137 1.00 0.00 C ATOM 127 CG ASP A 14 13.953 -5.390 3.073 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.113 -6.302 3.224 1.00 0.00 O ATOM 129 OD2 ASP A 14 14.720 -5.322 2.090 1.00 0.00 O ATOM 0 H ASP A 14 15.240 -2.145 5.148 1.00 0.00 H new ATOM 0 HA ASP A 14 14.305 -2.980 2.469 1.00 0.00 H new ATOM 0 HB2 ASP A 14 14.923 -4.496 4.759 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.175 -4.375 4.789 1.00 0.00 H new ATOM 134 N ILE A 15 11.734 -2.820 3.363 1.00 0.00 N ATOM 135 CA ILE A 15 10.405 -2.243 3.495 1.00 0.00 C ATOM 136 C ILE A 15 9.355 -3.342 3.627 1.00 0.00 C ATOM 137 O ILE A 15 9.439 -4.377 2.966 1.00 0.00 O ATOM 138 CB ILE A 15 10.068 -1.341 2.293 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.764 -0.582 2.535 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.980 -2.165 1.020 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.687 0.728 1.782 1.00 0.00 C ATOM 0 H ILE A 15 11.747 -3.751 2.947 1.00 0.00 H new ATOM 0 HA ILE A 15 10.398 -1.632 4.398 1.00 0.00 H new ATOM 0 HB ILE A 15 10.869 -0.611 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.925 -1.212 2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.658 -0.387 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.741 -1.513 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.936 -2.656 0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.200 -2.918 1.127 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.737 1.216 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.507 1.375 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.762 0.537 0.711 1.00 0.00 H new ATOM 153 N ASP A 16 8.390 -3.128 4.514 1.00 0.00 N ATOM 154 CA ASP A 16 7.351 -4.120 4.769 1.00 0.00 C ATOM 155 C ASP A 16 6.235 -4.045 3.734 1.00 0.00 C ATOM 156 O ASP A 16 5.929 -5.033 3.067 1.00 0.00 O ATOM 157 CB ASP A 16 6.770 -3.925 6.171 1.00 0.00 C ATOM 158 CG ASP A 16 6.209 -5.210 6.749 1.00 0.00 C ATOM 159 OD1 ASP A 16 5.216 -5.138 7.503 1.00 0.00 O ATOM 160 OD2 ASP A 16 6.763 -6.288 6.447 1.00 0.00 O ATOM 0 H ASP A 16 8.305 -2.276 5.069 1.00 0.00 H new ATOM 0 HA ASP A 16 7.811 -5.106 4.697 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.546 -3.541 6.833 1.00 0.00 H new ATOM 0 HB3 ASP A 16 5.982 -3.173 6.133 1.00 0.00 H new ATOM 165 N ASN A 17 5.620 -2.875 3.613 1.00 0.00 N ATOM 166 CA ASN A 17 4.522 -2.686 2.672 1.00 0.00 C ATOM 167 C ASN A 17 5.035 -2.203 1.322 1.00 0.00 C ATOM 168 O ASN A 17 4.479 -1.282 0.724 1.00 0.00 O ATOM 169 CB ASN A 17 3.500 -1.699 3.235 1.00 0.00 C ATOM 170 CG ASN A 17 3.311 -1.852 4.732 1.00 0.00 C ATOM 171 OD1 ASN A 17 3.433 -3.082 5.223 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.072 -0.875 5.442 1.00 0.00 N flip ATOM 0 H ASN A 17 5.862 -2.044 4.153 1.00 0.00 H new ATOM 0 HA ASN A 17 4.035 -3.650 2.525 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.822 -0.681 3.015 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.543 -1.846 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.987 0.051 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.960 -0.992 6.449 1.00 0.00 H new ATOM 179 N GLY A 18 6.091 -2.848 0.845 1.00 0.00 N ATOM 180 CA GLY A 18 6.665 -2.492 -0.438 1.00 0.00 C ATOM 181 C GLY A 18 7.812 -3.404 -0.831 1.00 0.00 C ATOM 182 O GLY A 18 8.139 -4.345 -0.108 1.00 0.00 O ATOM 0 H GLY A 18 6.562 -3.614 1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.891 -2.536 -1.204 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.020 -1.462 -0.401 1.00 0.00 H new ATOM 186 N GLN A 19 8.406 -3.142 -1.992 1.00 0.00 N ATOM 187 CA GLN A 19 9.512 -3.954 -2.486 1.00 0.00 C ATOM 188 C GLN A 19 10.627 -3.072 -3.035 1.00 0.00 C ATOM 189 O GLN A 19 10.370 -2.099 -3.746 1.00 0.00 O ATOM 190 CB GLN A 19 9.036 -4.917 -3.584 1.00 0.00 C ATOM 191 CG GLN A 19 7.556 -5.269 -3.513 1.00 0.00 C ATOM 192 CD GLN A 19 7.296 -6.746 -3.733 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.547 -7.375 -2.985 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.913 -7.308 -4.766 1.00 0.00 N ATOM 0 H GLN A 19 8.139 -2.374 -2.608 1.00 0.00 H new ATOM 0 HA GLN A 19 9.896 -4.534 -1.647 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.245 -4.472 -4.557 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.619 -5.836 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.163 -4.976 -2.539 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.013 -4.693 -4.262 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.525 -6.749 -5.360 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.775 -8.299 -4.965 1.00 0.00 H new ATOM 203 N LEU A 20 11.864 -3.426 -2.713 1.00 0.00 N ATOM 204 CA LEU A 20 13.021 -2.677 -3.177 1.00 0.00 C ATOM 205 C LEU A 20 13.315 -2.969 -4.642 1.00 0.00 C ATOM 206 O LEU A 20 13.025 -4.056 -5.142 1.00 0.00 O ATOM 207 CB LEU A 20 14.243 -3.031 -2.339 1.00 0.00 C ATOM 208 CG LEU A 20 14.419 -2.203 -1.069 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.561 -2.759 -0.244 1.00 0.00 C ATOM 210 CD2 LEU A 20 13.136 -2.186 -0.256 1.00 0.00 C ATOM 0 H LEU A 20 12.091 -4.231 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 20 12.795 -1.616 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.182 -4.084 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.134 -2.915 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 20 14.654 -1.177 -1.352 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.680 -2.163 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.344 -3.792 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.482 -2.723 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.284 -1.590 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.334 -1.750 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.868 -3.205 0.023 1.00 0.00 H new ATOM 222 N ASP A 21 13.915 -1.998 -5.317 1.00 0.00 N ATOM 223 CA ASP A 21 14.308 -2.159 -6.710 1.00 0.00 C ATOM 224 C ASP A 21 15.810 -1.957 -6.839 1.00 0.00 C ATOM 225 O ASP A 21 16.270 -0.937 -7.354 1.00 0.00 O ATOM 226 CB ASP A 21 13.565 -1.163 -7.600 1.00 0.00 C ATOM 227 CG ASP A 21 13.507 -1.611 -9.047 1.00 0.00 C ATOM 228 OD1 ASP A 21 12.757 -0.993 -9.831 1.00 0.00 O ATOM 229 OD2 ASP A 21 14.214 -2.580 -9.397 1.00 0.00 O ATOM 0 H ASP A 21 14.141 -1.086 -4.920 1.00 0.00 H new ATOM 0 HA ASP A 21 14.047 -3.166 -7.036 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.551 -1.030 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.057 -0.192 -7.543 1.00 0.00 H new ATOM 234 N ILE A 22 16.569 -2.908 -6.306 1.00 0.00 N ATOM 235 CA ILE A 22 18.023 -2.815 -6.296 1.00 0.00 C ATOM 236 C ILE A 22 18.627 -3.231 -7.629 1.00 0.00 C ATOM 237 O ILE A 22 18.953 -4.400 -7.836 1.00 0.00 O ATOM 238 CB ILE A 22 18.647 -3.680 -5.179 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.714 -3.750 -3.960 1.00 0.00 C ATOM 240 CG2 ILE A 22 20.011 -3.128 -4.790 1.00 0.00 C ATOM 241 CD1 ILE A 22 18.376 -4.266 -2.698 1.00 0.00 C ATOM 0 H ILE A 22 16.199 -3.755 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 22 18.253 -1.766 -6.109 1.00 0.00 H new ATOM 0 HB ILE A 22 18.780 -4.694 -5.555 1.00 0.00 H new ATOM 0 HG12 ILE A 22 17.314 -2.755 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.867 -4.393 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 22 20.442 -3.745 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 22 20.669 -3.138 -5.659 1.00 0.00 H new ATOM 0 HG23 ILE A 22 19.900 -2.105 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.648 -4.284 -1.887 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.752 -5.275 -2.870 1.00 0.00 H new ATOM 0 HD13 ILE A 22 19.205 -3.611 -2.428 1.00 0.00 H new ATOM 253 N GLY A 23 18.808 -2.262 -8.517 1.00 0.00 N ATOM 254 CA GLY A 23 19.437 -2.540 -9.792 1.00 0.00 C ATOM 255 C GLY A 23 20.943 -2.349 -9.732 1.00 0.00 C ATOM 256 O GLY A 23 21.605 -2.241 -10.764 1.00 0.00 O ATOM 0 H GLY A 23 18.531 -1.290 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 23 19.212 -3.563 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 23 19.018 -1.884 -10.555 1.00 0.00 H new ATOM 260 N GLY A 24 21.482 -2.298 -8.513 1.00 0.00 N ATOM 261 CA GLY A 24 22.908 -2.107 -8.330 1.00 0.00 C ATOM 262 C GLY A 24 23.247 -1.739 -6.898 1.00 0.00 C ATOM 263 O GLY A 24 22.591 -0.884 -6.302 1.00 0.00 O ATOM 0 H GLY A 24 20.950 -2.386 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 24 23.435 -3.020 -8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 24 23.259 -1.322 -9.000 1.00 0.00 H new ATOM 267 N VAL A 25 24.256 -2.396 -6.335 1.00 0.00 N ATOM 268 CA VAL A 25 24.641 -2.148 -4.951 1.00 0.00 C ATOM 269 C VAL A 25 26.080 -1.645 -4.823 1.00 0.00 C ATOM 270 O VAL A 25 26.533 -1.339 -3.724 1.00 0.00 O ATOM 271 CB VAL A 25 24.473 -3.413 -4.089 1.00 0.00 C ATOM 272 CG1 VAL A 25 23.023 -3.572 -3.655 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.949 -4.644 -4.844 1.00 0.00 C ATOM 0 H VAL A 25 24.819 -3.100 -6.813 1.00 0.00 H new ATOM 0 HA VAL A 25 23.972 -1.367 -4.590 1.00 0.00 H new ATOM 0 HB VAL A 25 25.088 -3.306 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.922 -4.471 -3.047 1.00 0.00 H new ATOM 0 HG12 VAL A 25 22.721 -2.703 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.387 -3.657 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.822 -5.527 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.365 -4.760 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 25 26.002 -4.529 -5.100 1.00 0.00 H new ATOM 283 N ASP A 26 26.797 -1.549 -5.939 1.00 0.00 N ATOM 284 CA ASP A 26 28.175 -1.067 -5.903 1.00 0.00 C ATOM 285 C ASP A 26 28.215 0.444 -5.722 1.00 0.00 C ATOM 286 O ASP A 26 27.211 1.131 -5.907 1.00 0.00 O ATOM 287 CB ASP A 26 28.921 -1.459 -7.176 1.00 0.00 C ATOM 288 CG ASP A 26 30.405 -1.159 -7.100 1.00 0.00 C ATOM 289 OD1 ASP A 26 30.991 -0.796 -8.141 1.00 0.00 O ATOM 290 OD2 ASP A 26 30.981 -1.287 -5.999 1.00 0.00 O ATOM 0 H ASP A 26 26.453 -1.795 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 26 28.669 -1.534 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.779 -2.523 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.490 -0.926 -8.024 1.00 0.00 H new ATOM 295 N PHE A 27 29.382 0.951 -5.351 1.00 0.00 N ATOM 296 CA PHE A 27 29.560 2.381 -5.127 1.00 0.00 C ATOM 297 C PHE A 27 29.072 3.188 -6.323 1.00 0.00 C ATOM 298 O PHE A 27 29.624 3.091 -7.419 1.00 0.00 O ATOM 299 CB PHE A 27 31.028 2.706 -4.848 1.00 0.00 C ATOM 300 CG PHE A 27 31.280 4.170 -4.620 1.00 0.00 C ATOM 301 CD1 PHE A 27 32.401 4.784 -5.153 1.00 0.00 C ATOM 302 CD2 PHE A 27 30.389 4.933 -3.880 1.00 0.00 C ATOM 303 CE1 PHE A 27 32.634 6.131 -4.949 1.00 0.00 C ATOM 304 CE2 PHE A 27 30.617 6.281 -3.672 1.00 0.00 C ATOM 305 CZ PHE A 27 31.741 6.880 -4.208 1.00 0.00 C ATOM 0 H PHE A 27 30.222 0.393 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 27 28.964 2.655 -4.256 1.00 0.00 H new ATOM 0 HB2 PHE A 27 31.356 2.147 -3.972 1.00 0.00 H new ATOM 0 HB3 PHE A 27 31.634 2.367 -5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 27 33.101 4.203 -5.735 1.00 0.00 H new ATOM 0 HD2 PHE A 27 29.508 4.469 -3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 27 33.513 6.597 -5.368 1.00 0.00 H new ATOM 0 HE2 PHE A 27 29.918 6.865 -3.092 1.00 0.00 H new ATOM 0 HZ PHE A 27 31.921 7.933 -4.048 1.00 0.00 H new ATOM 315 N GLY A 28 28.038 3.989 -6.100 1.00 0.00 N ATOM 316 CA GLY A 28 27.494 4.811 -7.163 1.00 0.00 C ATOM 317 C GLY A 28 26.194 4.267 -7.730 1.00 0.00 C ATOM 318 O GLY A 28 25.575 4.902 -8.584 1.00 0.00 O ATOM 0 H GLY A 28 27.566 4.084 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 28 27.325 5.819 -6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 28 28.228 4.891 -7.965 1.00 0.00 H new ATOM 322 N SER A 29 25.776 3.090 -7.265 1.00 0.00 N ATOM 323 CA SER A 29 24.538 2.483 -7.739 1.00 0.00 C ATOM 324 C SER A 29 23.329 3.191 -7.138 1.00 0.00 C ATOM 325 O SER A 29 23.476 4.104 -6.325 1.00 0.00 O ATOM 326 CB SER A 29 24.505 0.995 -7.386 1.00 0.00 C ATOM 327 OG SER A 29 25.467 0.271 -8.133 1.00 0.00 O ATOM 0 H SER A 29 26.275 2.542 -6.564 1.00 0.00 H new ATOM 0 HA SER A 29 24.499 2.588 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 29 24.696 0.867 -6.321 1.00 0.00 H new ATOM 0 HB3 SER A 29 23.511 0.594 -7.582 1.00 0.00 H new ATOM 0 HG SER A 29 26.332 0.308 -7.675 1.00 0.00 H new ATOM 333 N SER A 30 22.135 2.772 -7.544 1.00 0.00 N ATOM 334 CA SER A 30 20.911 3.383 -7.042 1.00 0.00 C ATOM 335 C SER A 30 19.796 2.352 -6.884 1.00 0.00 C ATOM 336 O SER A 30 19.737 1.366 -7.618 1.00 0.00 O ATOM 337 CB SER A 30 20.456 4.503 -7.980 1.00 0.00 C ATOM 338 OG SER A 30 20.689 4.161 -9.335 1.00 0.00 O ATOM 0 H SER A 30 21.990 2.017 -8.214 1.00 0.00 H new ATOM 0 HA SER A 30 21.127 3.801 -6.059 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.395 4.699 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.988 5.423 -7.737 1.00 0.00 H new ATOM 0 HG SER A 30 20.388 4.893 -9.913 1.00 0.00 H new ATOM 344 N ILE A 31 18.910 2.594 -5.921 1.00 0.00 N ATOM 345 CA ILE A 31 17.782 1.699 -5.666 1.00 0.00 C ATOM 346 C ILE A 31 16.463 2.433 -5.870 1.00 0.00 C ATOM 347 O ILE A 31 16.428 3.661 -5.915 1.00 0.00 O ATOM 348 CB ILE A 31 17.790 1.116 -4.230 1.00 0.00 C ATOM 349 CG1 ILE A 31 19.152 1.271 -3.554 1.00 0.00 C ATOM 350 CG2 ILE A 31 17.396 -0.347 -4.254 1.00 0.00 C ATOM 351 CD1 ILE A 31 19.171 0.759 -2.131 1.00 0.00 C ATOM 0 H ILE A 31 18.951 3.404 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 31 17.884 0.877 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 31 17.063 1.683 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 31 19.903 0.736 -4.136 1.00 0.00 H new ATOM 0 HG13 ILE A 31 19.435 2.324 -3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 31 17.406 -0.743 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 31 16.395 -0.447 -4.673 1.00 0.00 H new ATOM 0 HG23 ILE A 31 18.104 -0.904 -4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 31 20.166 0.898 -1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 31 18.443 1.311 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 31 18.918 -0.301 -2.122 1.00 0.00 H new ATOM 363 N THR A 32 15.374 1.677 -5.957 1.00 0.00 N ATOM 364 CA THR A 32 14.052 2.269 -6.121 1.00 0.00 C ATOM 365 C THR A 32 13.038 1.595 -5.207 1.00 0.00 C ATOM 366 O THR A 32 12.696 0.427 -5.395 1.00 0.00 O ATOM 367 CB THR A 32 13.595 2.170 -7.578 1.00 0.00 C ATOM 368 OG1 THR A 32 14.690 1.880 -8.429 1.00 0.00 O ATOM 369 CG2 THR A 32 12.937 3.433 -8.087 1.00 0.00 C ATOM 0 H THR A 32 15.380 0.658 -5.917 1.00 0.00 H new ATOM 0 HA THR A 32 14.119 3.321 -5.845 1.00 0.00 H new ATOM 0 HB THR A 32 12.859 1.366 -7.595 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.377 1.819 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.637 3.294 -9.126 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.058 3.654 -7.482 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.641 4.262 -8.020 1.00 0.00 H new ATOM 377 N TYR A 33 12.563 2.339 -4.214 1.00 0.00 N ATOM 378 CA TYR A 33 11.593 1.813 -3.262 1.00 0.00 C ATOM 379 C TYR A 33 10.176 1.924 -3.807 1.00 0.00 C ATOM 380 O TYR A 33 9.796 2.949 -4.373 1.00 0.00 O ATOM 381 CB TYR A 33 11.707 2.559 -1.934 1.00 0.00 C ATOM 382 CG TYR A 33 12.805 2.027 -1.050 1.00 0.00 C ATOM 383 CD1 TYR A 33 14.123 2.424 -1.232 1.00 0.00 C ATOM 384 CD2 TYR A 33 12.524 1.112 -0.047 1.00 0.00 C ATOM 385 CE1 TYR A 33 15.131 1.930 -0.425 1.00 0.00 C ATOM 386 CE2 TYR A 33 13.523 0.613 0.763 1.00 0.00 C ATOM 387 CZ TYR A 33 14.826 1.024 0.569 1.00 0.00 C ATOM 388 OH TYR A 33 15.827 0.534 1.376 1.00 0.00 O ATOM 0 H TYR A 33 12.834 3.308 -4.048 1.00 0.00 H new ATOM 0 HA TYR A 33 11.811 0.757 -3.100 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.888 3.616 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.757 2.492 -1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 33 14.364 3.128 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.506 0.784 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 33 16.151 2.252 -0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 33 13.287 -0.095 1.544 1.00 0.00 H new ATOM 0 HH TYR A 33 15.688 -0.425 1.524 1.00 0.00 H new ATOM 398 N SER A 34 9.401 0.858 -3.643 1.00 0.00 N ATOM 399 CA SER A 34 8.028 0.836 -4.126 1.00 0.00 C ATOM 400 C SER A 34 7.110 0.123 -3.141 1.00 0.00 C ATOM 401 O SER A 34 7.518 -0.823 -2.468 1.00 0.00 O ATOM 402 CB SER A 34 7.957 0.152 -5.493 1.00 0.00 C ATOM 403 OG SER A 34 8.236 -1.233 -5.386 1.00 0.00 O ATOM 0 H SER A 34 9.700 -0.000 -3.180 1.00 0.00 H new ATOM 0 HA SER A 34 7.691 1.868 -4.223 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.966 0.294 -5.923 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.669 0.618 -6.174 1.00 0.00 H new ATOM 0 HG SER A 34 9.009 -1.367 -4.799 1.00 0.00 H new ATOM 409 N CYS A 35 5.866 0.581 -3.067 1.00 0.00 N ATOM 410 CA CYS A 35 4.883 -0.010 -2.172 1.00 0.00 C ATOM 411 C CYS A 35 4.418 -1.365 -2.697 1.00 0.00 C ATOM 412 O CYS A 35 4.803 -1.781 -3.790 1.00 0.00 O ATOM 413 CB CYS A 35 3.694 0.934 -2.016 1.00 0.00 C ATOM 414 SG CYS A 35 3.859 2.114 -0.638 1.00 0.00 S ATOM 0 H CYS A 35 5.515 1.363 -3.619 1.00 0.00 H new ATOM 0 HA CYS A 35 5.347 -0.165 -1.198 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.562 1.491 -2.944 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.791 0.342 -1.868 1.00 0.00 H new ATOM 419 N ASN A 36 3.604 -2.061 -1.906 1.00 0.00 N ATOM 420 CA ASN A 36 3.119 -3.385 -2.292 1.00 0.00 C ATOM 421 C ASN A 36 2.042 -3.291 -3.371 1.00 0.00 C ATOM 422 O ASN A 36 2.323 -3.469 -4.556 1.00 0.00 O ATOM 423 CB ASN A 36 2.575 -4.132 -1.071 1.00 0.00 C ATOM 424 CG ASN A 36 3.387 -5.369 -0.745 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.207 -5.282 0.295 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 3.280 -6.392 -1.421 1.00 0.00 N flip ATOM 0 H ASN A 36 3.268 -1.734 -1.000 1.00 0.00 H new ATOM 0 HA ASN A 36 3.962 -3.940 -2.703 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.574 -3.464 -0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.539 -4.418 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.637 -6.415 -2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.834 -7.216 -1.190 1.00 0.00 H new ATOM 433 N SER A 37 0.807 -3.037 -2.951 1.00 0.00 N ATOM 434 CA SER A 37 -0.312 -2.930 -3.882 1.00 0.00 C ATOM 435 C SER A 37 -1.420 -2.070 -3.287 1.00 0.00 C ATOM 436 O SER A 37 -1.953 -2.378 -2.221 1.00 0.00 O ATOM 437 CB SER A 37 -0.853 -4.318 -4.228 1.00 0.00 C ATOM 438 OG SER A 37 -0.235 -4.831 -5.395 1.00 0.00 O ATOM 0 H SER A 37 0.555 -2.901 -1.972 1.00 0.00 H new ATOM 0 HA SER A 37 0.046 -2.456 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.681 -4.997 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.931 -4.264 -4.378 1.00 0.00 H new ATOM 0 HG SER A 37 0.704 -4.552 -5.418 1.00 0.00 H new ATOM 444 N GLY A 38 -1.748 -0.978 -3.969 1.00 0.00 N ATOM 445 CA GLY A 38 -2.759 -0.070 -3.465 1.00 0.00 C ATOM 446 C GLY A 38 -2.235 0.823 -2.350 1.00 0.00 C ATOM 447 O GLY A 38 -2.967 1.658 -1.821 1.00 0.00 O ATOM 0 H GLY A 38 -1.332 -0.707 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.125 0.551 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.609 -0.645 -3.097 1.00 0.00 H new ATOM 451 N TYR A 39 -0.963 0.646 -1.992 1.00 0.00 N ATOM 452 CA TYR A 39 -0.340 1.438 -0.943 1.00 0.00 C ATOM 453 C TYR A 39 0.287 2.701 -1.518 1.00 0.00 C ATOM 454 O TYR A 39 0.477 2.815 -2.729 1.00 0.00 O ATOM 455 CB TYR A 39 0.749 0.614 -0.250 1.00 0.00 C ATOM 456 CG TYR A 39 0.266 -0.215 0.915 1.00 0.00 C ATOM 457 CD1 TYR A 39 0.836 -0.066 2.170 1.00 0.00 C ATOM 458 CD2 TYR A 39 -0.723 -1.174 0.753 1.00 0.00 C ATOM 459 CE1 TYR A 39 0.414 -0.826 3.241 1.00 0.00 C ATOM 460 CE2 TYR A 39 -1.150 -1.944 1.818 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.578 -1.767 3.060 1.00 0.00 C ATOM 462 OH TYR A 39 -1.002 -2.531 4.123 1.00 0.00 O ATOM 0 H TYR A 39 -0.345 -0.044 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.111 1.719 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.207 -0.048 -0.984 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.529 1.290 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.625 0.658 2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.166 -1.321 -0.221 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.858 -0.685 4.215 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.928 -2.680 1.678 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.706 -3.144 3.825 1.00 0.00 H new ATOM 472 N HIS A 40 0.638 3.635 -0.641 1.00 0.00 N ATOM 473 CA HIS A 40 1.314 4.856 -1.059 1.00 0.00 C ATOM 474 C HIS A 40 2.654 4.972 -0.346 1.00 0.00 C ATOM 475 O HIS A 40 2.732 4.833 0.875 1.00 0.00 O ATOM 476 CB HIS A 40 0.468 6.114 -0.795 1.00 0.00 C ATOM 477 CG HIS A 40 -0.834 5.870 -0.092 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.120 5.154 1.019 1.00 0.00 N flip ATOM 479 CD2 HIS A 40 -2.030 6.414 -0.513 1.00 0.00 C flip ATOM 480 CE1 HIS A 40 -2.469 5.269 1.241 1.00 0.00 C flip ATOM 481 NE2 HIS A 40 -2.996 6.035 0.305 1.00 0.00 N flip ATOM 0 H HIS A 40 0.466 3.570 0.362 1.00 0.00 H new ATOM 0 HA HIS A 40 1.469 4.791 -2.136 1.00 0.00 H new ATOM 0 HB2 HIS A 40 1.058 6.812 -0.201 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.263 6.601 -1.748 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -2.157 7.050 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.012 4.807 2.052 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.980 6.291 0.226 1.00 0.00 H new ATOM 490 N LEU A 41 3.712 5.174 -1.118 1.00 0.00 N ATOM 491 CA LEU A 41 5.048 5.295 -0.559 1.00 0.00 C ATOM 492 C LEU A 41 5.313 6.732 -0.144 1.00 0.00 C ATOM 493 O LEU A 41 5.291 7.643 -0.972 1.00 0.00 O ATOM 494 CB LEU A 41 6.095 4.835 -1.575 1.00 0.00 C ATOM 495 CG LEU A 41 7.547 5.055 -1.150 1.00 0.00 C ATOM 496 CD1 LEU A 41 8.424 3.905 -1.619 1.00 0.00 C ATOM 497 CD2 LEU A 41 8.064 6.373 -1.697 1.00 0.00 C ATOM 0 H LEU A 41 3.670 5.257 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 41 5.117 4.657 0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.947 3.773 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.923 5.360 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 41 7.584 5.092 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.453 4.081 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.066 2.973 -1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.382 3.835 -2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.099 6.515 -1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.011 6.361 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.454 7.191 -1.313 1.00 0.00 H new ATOM 509 N ILE A 42 5.528 6.936 1.147 1.00 0.00 N ATOM 510 CA ILE A 42 5.745 8.276 1.673 1.00 0.00 C ATOM 511 C ILE A 42 7.226 8.623 1.720 1.00 0.00 C ATOM 512 O ILE A 42 8.082 7.743 1.807 1.00 0.00 O ATOM 513 CB ILE A 42 5.137 8.453 3.078 1.00 0.00 C ATOM 514 CG1 ILE A 42 3.905 7.560 3.258 1.00 0.00 C ATOM 515 CG2 ILE A 42 4.762 9.908 3.291 1.00 0.00 C ATOM 516 CD1 ILE A 42 2.853 7.774 2.192 1.00 0.00 C ATOM 0 H ILE A 42 5.557 6.195 1.847 1.00 0.00 H new ATOM 0 HA ILE A 42 5.239 8.956 0.988 1.00 0.00 H new ATOM 0 HB ILE A 42 5.880 8.157 3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.217 6.516 3.247 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.465 7.751 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.332 10.031 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.652 10.530 3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.032 10.209 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.007 7.112 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.515 8.810 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.278 7.555 1.212 1.00 0.00 H new ATOM 528 N GLY A 43 7.517 9.916 1.653 1.00 0.00 N ATOM 529 CA GLY A 43 8.894 10.372 1.677 1.00 0.00 C ATOM 530 C GLY A 43 9.639 10.015 0.407 1.00 0.00 C ATOM 531 O GLY A 43 9.037 9.903 -0.662 1.00 0.00 O ATOM 0 H GLY A 43 6.822 10.659 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.914 11.453 1.816 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.406 9.931 2.532 1.00 0.00 H new ATOM 535 N GLU A 44 10.950 9.834 0.520 1.00 0.00 N ATOM 536 CA GLU A 44 11.770 9.477 -0.631 1.00 0.00 C ATOM 537 C GLU A 44 11.233 8.216 -1.300 1.00 0.00 C ATOM 538 O GLU A 44 10.250 7.637 -0.843 1.00 0.00 O ATOM 539 CB GLU A 44 13.226 9.269 -0.204 1.00 0.00 C ATOM 540 CG GLU A 44 13.375 8.618 1.163 1.00 0.00 C ATOM 541 CD GLU A 44 13.836 9.593 2.229 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.663 9.288 3.427 1.00 0.00 O ATOM 543 OE2 GLU A 44 14.369 10.662 1.865 1.00 0.00 O ATOM 0 H GLU A 44 11.466 9.928 1.395 1.00 0.00 H new ATOM 0 HA GLU A 44 11.729 10.296 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.729 8.651 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.734 10.233 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.420 8.185 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.089 7.797 1.094 1.00 0.00 H new ATOM 550 N SER A 45 11.883 7.796 -2.381 1.00 0.00 N ATOM 551 CA SER A 45 11.462 6.619 -3.123 1.00 0.00 C ATOM 552 C SER A 45 12.636 5.952 -3.831 1.00 0.00 C ATOM 553 O SER A 45 12.446 5.178 -4.769 1.00 0.00 O ATOM 554 CB SER A 45 10.424 7.023 -4.158 1.00 0.00 C ATOM 555 OG SER A 45 10.815 8.203 -4.839 1.00 0.00 O ATOM 0 H SER A 45 12.708 8.259 -2.762 1.00 0.00 H new ATOM 0 HA SER A 45 11.041 5.906 -2.414 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.287 6.214 -4.875 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.462 7.183 -3.670 1.00 0.00 H new ATOM 0 HG SER A 45 10.132 8.441 -5.500 1.00 0.00 H new ATOM 561 N LYS A 46 13.844 6.260 -3.387 1.00 0.00 N ATOM 562 CA LYS A 46 15.042 5.713 -3.997 1.00 0.00 C ATOM 563 C LYS A 46 16.196 5.688 -3.004 1.00 0.00 C ATOM 564 O LYS A 46 16.073 6.172 -1.879 1.00 0.00 O ATOM 565 CB LYS A 46 15.423 6.550 -5.216 1.00 0.00 C ATOM 566 CG LYS A 46 15.018 5.925 -6.538 1.00 0.00 C ATOM 567 CD LYS A 46 14.451 6.960 -7.495 1.00 0.00 C ATOM 568 CE LYS A 46 15.354 7.155 -8.701 1.00 0.00 C ATOM 569 NZ LYS A 46 14.955 6.286 -9.842 1.00 0.00 N ATOM 0 H LYS A 46 14.020 6.889 -2.603 1.00 0.00 H new ATOM 0 HA LYS A 46 14.837 4.688 -4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.957 7.532 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.502 6.708 -5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.883 5.443 -6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.276 5.147 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.461 6.647 -7.827 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.327 7.910 -6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.323 8.199 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.385 6.936 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.596 6.450 -10.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.009 5.288 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.980 6.512 -10.126 1.00 0.00 H new ATOM 583 N SER A 47 17.318 5.125 -3.430 1.00 0.00 N ATOM 584 CA SER A 47 18.502 5.041 -2.588 1.00 0.00 C ATOM 585 C SER A 47 19.762 5.077 -3.443 1.00 0.00 C ATOM 586 O SER A 47 19.928 4.265 -4.347 1.00 0.00 O ATOM 587 CB SER A 47 18.468 3.759 -1.754 1.00 0.00 C ATOM 588 OG SER A 47 17.776 3.960 -0.534 1.00 0.00 O ATOM 0 H SER A 47 17.433 4.718 -4.358 1.00 0.00 H new ATOM 0 HA SER A 47 18.512 5.898 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 47 17.985 2.965 -2.323 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.486 3.429 -1.548 1.00 0.00 H new ATOM 0 HG SER A 47 18.166 4.723 -0.059 1.00 0.00 H new ATOM 594 N TYR A 48 20.634 6.036 -3.172 1.00 0.00 N ATOM 595 CA TYR A 48 21.860 6.190 -3.944 1.00 0.00 C ATOM 596 C TYR A 48 23.067 5.655 -3.185 1.00 0.00 C ATOM 597 O TYR A 48 23.454 6.195 -2.149 1.00 0.00 O ATOM 598 CB TYR A 48 22.074 7.662 -4.299 1.00 0.00 C ATOM 599 CG TYR A 48 20.812 8.360 -4.752 1.00 0.00 C ATOM 600 CD1 TYR A 48 20.487 9.626 -4.280 1.00 0.00 C ATOM 601 CD2 TYR A 48 19.942 7.749 -5.645 1.00 0.00 C ATOM 602 CE1 TYR A 48 19.332 10.264 -4.690 1.00 0.00 C ATOM 603 CE2 TYR A 48 18.785 8.381 -6.060 1.00 0.00 C ATOM 604 CZ TYR A 48 18.485 9.638 -5.580 1.00 0.00 C ATOM 605 OH TYR A 48 17.333 10.271 -5.991 1.00 0.00 O ATOM 0 H TYR A 48 20.517 6.720 -2.424 1.00 0.00 H new ATOM 0 HA TYR A 48 21.755 5.608 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 48 22.476 8.183 -3.430 1.00 0.00 H new ATOM 0 HB3 TYR A 48 22.823 7.733 -5.088 1.00 0.00 H new ATOM 0 HD1 TYR A 48 21.147 10.119 -3.582 1.00 0.00 H new ATOM 0 HD2 TYR A 48 20.173 6.764 -6.022 1.00 0.00 H new ATOM 0 HE1 TYR A 48 19.094 11.248 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.120 7.893 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 48 16.849 9.695 -6.619 1.00 0.00 H new ATOM 615 N CYS A 49 23.660 4.591 -3.715 1.00 0.00 N ATOM 616 CA CYS A 49 24.841 3.993 -3.110 1.00 0.00 C ATOM 617 C CYS A 49 26.004 4.967 -3.164 1.00 0.00 C ATOM 618 O CYS A 49 26.887 4.864 -4.015 1.00 0.00 O ATOM 619 CB CYS A 49 25.202 2.696 -3.824 1.00 0.00 C ATOM 620 SG CYS A 49 26.717 1.898 -3.206 1.00 0.00 S ATOM 0 H CYS A 49 23.340 4.125 -4.564 1.00 0.00 H new ATOM 0 HA CYS A 49 24.624 3.765 -2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 49 24.371 1.997 -3.726 1.00 0.00 H new ATOM 0 HB3 CYS A 49 25.321 2.902 -4.888 1.00 0.00 H new ATOM 625 N GLU A 50 25.967 5.932 -2.264 1.00 0.00 N ATOM 626 CA GLU A 50 26.982 6.976 -2.207 1.00 0.00 C ATOM 627 C GLU A 50 28.044 6.647 -1.160 1.00 0.00 C ATOM 628 O GLU A 50 27.949 5.648 -0.450 1.00 0.00 O ATOM 629 CB GLU A 50 26.296 8.336 -1.943 1.00 0.00 C ATOM 630 CG GLU A 50 27.024 9.307 -1.016 1.00 0.00 C ATOM 631 CD GLU A 50 26.117 10.402 -0.493 1.00 0.00 C ATOM 632 OE1 GLU A 50 25.040 10.616 -1.089 1.00 0.00 O ATOM 633 OE2 GLU A 50 26.482 11.046 0.513 1.00 0.00 O ATOM 0 H GLU A 50 25.239 6.017 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 50 27.502 7.037 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 50 26.144 8.831 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 50 25.308 8.143 -1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 50 27.444 8.755 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 50 27.860 9.757 -1.551 1.00 0.00 H new ATOM 640 N LEU A 51 29.066 7.487 -1.102 1.00 0.00 N ATOM 641 CA LEU A 51 30.165 7.305 -0.163 1.00 0.00 C ATOM 642 C LEU A 51 29.862 7.975 1.174 1.00 0.00 C ATOM 643 O LEU A 51 29.327 9.083 1.218 1.00 0.00 O ATOM 644 CB LEU A 51 31.462 7.864 -0.750 1.00 0.00 C ATOM 645 CG LEU A 51 31.464 9.373 -0.999 1.00 0.00 C ATOM 646 CD1 LEU A 51 31.239 9.670 -2.473 1.00 0.00 C ATOM 647 CD2 LEU A 51 32.771 9.987 -0.524 1.00 0.00 C ATOM 0 H LEU A 51 29.158 8.309 -1.699 1.00 0.00 H new ATOM 0 HA LEU A 51 30.286 6.236 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 51 32.282 7.622 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 51 31.665 7.356 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 51 30.647 9.818 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 51 31.243 10.748 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 51 32.035 9.213 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 51 30.277 9.262 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 51 32.757 11.061 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 51 32.892 9.804 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 51 33.603 9.537 -1.066 1.00 0.00 H new ATOM 659 N GLY A 52 30.206 7.292 2.260 1.00 0.00 N ATOM 660 CA GLY A 52 29.956 7.826 3.586 1.00 0.00 C ATOM 661 C GLY A 52 30.862 8.991 3.929 1.00 0.00 C ATOM 662 O GLY A 52 31.252 9.763 3.053 1.00 0.00 O ATOM 0 H GLY A 52 30.655 6.376 2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.917 8.148 3.653 1.00 0.00 H new ATOM 0 HA3 GLY A 52 30.093 7.035 4.323 1.00 0.00 H new ATOM 666 N SER A 53 31.194 9.120 5.210 1.00 0.00 N ATOM 667 CA SER A 53 32.047 10.206 5.674 1.00 0.00 C ATOM 668 C SER A 53 33.514 9.790 5.681 1.00 0.00 C ATOM 669 O SER A 53 34.394 10.583 5.346 1.00 0.00 O ATOM 670 CB SER A 53 31.625 10.639 7.078 1.00 0.00 C ATOM 671 OG SER A 53 30.227 10.501 7.257 1.00 0.00 O ATOM 0 H SER A 53 30.884 8.484 5.945 1.00 0.00 H new ATOM 0 HA SER A 53 31.933 11.043 4.985 1.00 0.00 H new ATOM 0 HB2 SER A 53 32.151 10.038 7.820 1.00 0.00 H new ATOM 0 HB3 SER A 53 31.915 11.676 7.244 1.00 0.00 H new ATOM 0 HG SER A 53 29.984 10.783 8.164 1.00 0.00 H new ATOM 677 N THR A 54 33.772 8.545 6.069 1.00 0.00 N ATOM 678 CA THR A 54 35.136 8.030 6.125 1.00 0.00 C ATOM 679 C THR A 54 35.525 7.356 4.813 1.00 0.00 C ATOM 680 O THR A 54 36.180 6.314 4.811 1.00 0.00 O ATOM 681 CB THR A 54 35.281 7.038 7.281 1.00 0.00 C ATOM 682 OG1 THR A 54 34.246 6.072 7.243 1.00 0.00 O ATOM 683 CG2 THR A 54 35.248 7.694 8.644 1.00 0.00 C ATOM 0 H THR A 54 33.056 7.875 6.349 1.00 0.00 H new ATOM 0 HA THR A 54 35.806 8.874 6.289 1.00 0.00 H new ATOM 0 HB THR A 54 36.259 6.577 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 54 34.356 5.445 7.988 1.00 0.00 H new ATOM 0 HG21 THR A 54 35.356 6.933 9.417 1.00 0.00 H new ATOM 0 HG22 THR A 54 36.066 8.410 8.723 1.00 0.00 H new ATOM 0 HG23 THR A 54 34.298 8.212 8.775 1.00 0.00 H new ATOM 691 N GLY A 55 35.124 7.959 3.698 1.00 0.00 N ATOM 692 CA GLY A 55 35.443 7.399 2.398 1.00 0.00 C ATOM 693 C GLY A 55 34.834 6.026 2.191 1.00 0.00 C ATOM 694 O GLY A 55 35.276 5.269 1.327 1.00 0.00 O ATOM 0 H GLY A 55 34.585 8.824 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.086 8.072 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.526 7.332 2.291 1.00 0.00 H new ATOM 698 N SER A 56 33.819 5.702 2.986 1.00 0.00 N ATOM 699 CA SER A 56 33.147 4.414 2.878 1.00 0.00 C ATOM 700 C SER A 56 32.045 4.467 1.826 1.00 0.00 C ATOM 701 O SER A 56 32.029 5.358 0.977 1.00 0.00 O ATOM 702 CB SER A 56 32.558 4.006 4.230 1.00 0.00 C ATOM 703 OG SER A 56 32.959 2.695 4.588 1.00 0.00 O ATOM 0 H SER A 56 33.445 6.314 3.711 1.00 0.00 H new ATOM 0 HA SER A 56 33.884 3.671 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 56 32.880 4.710 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 56 31.470 4.057 4.186 1.00 0.00 H new ATOM 0 HG SER A 56 32.570 2.460 5.456 1.00 0.00 H new ATOM 709 N MET A 57 31.123 3.514 1.892 1.00 0.00 N ATOM 710 CA MET A 57 30.012 3.458 0.947 1.00 0.00 C ATOM 711 C MET A 57 28.696 3.209 1.676 1.00 0.00 C ATOM 712 O MET A 57 28.516 2.178 2.323 1.00 0.00 O ATOM 713 CB MET A 57 30.244 2.386 -0.122 1.00 0.00 C ATOM 714 CG MET A 57 31.200 1.290 0.305 1.00 0.00 C ATOM 715 SD MET A 57 31.807 0.310 -1.081 1.00 0.00 S ATOM 716 CE MET A 57 33.395 -0.223 -0.447 1.00 0.00 C ATOM 0 H MET A 57 31.122 2.769 2.589 1.00 0.00 H new ATOM 0 HA MET A 57 29.954 4.424 0.446 1.00 0.00 H new ATOM 0 HB2 MET A 57 29.287 1.937 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 57 30.632 2.863 -1.022 1.00 0.00 H new ATOM 0 HG2 MET A 57 32.047 1.736 0.826 1.00 0.00 H new ATOM 0 HG3 MET A 57 30.698 0.633 1.016 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.895 -0.841 -1.192 1.00 0.00 H new ATOM 0 HE2 MET A 57 34.010 0.649 -0.227 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.247 -0.802 0.465 1.00 0.00 H new ATOM 726 N VAL A 58 27.789 4.176 1.584 1.00 0.00 N ATOM 727 CA VAL A 58 26.500 4.090 2.258 1.00 0.00 C ATOM 728 C VAL A 58 25.347 4.294 1.281 1.00 0.00 C ATOM 729 O VAL A 58 25.558 4.451 0.078 1.00 0.00 O ATOM 730 CB VAL A 58 26.396 5.137 3.381 1.00 0.00 C ATOM 731 CG1 VAL A 58 27.107 4.649 4.634 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.971 6.463 2.914 1.00 0.00 C ATOM 0 H VAL A 58 27.925 5.032 1.046 1.00 0.00 H new ATOM 0 HA VAL A 58 26.430 3.090 2.686 1.00 0.00 H new ATOM 0 HB VAL A 58 25.344 5.285 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 58 27.023 5.403 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.649 3.720 4.974 1.00 0.00 H new ATOM 0 HG13 VAL A 58 28.159 4.474 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.892 7.197 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 58 28.019 6.331 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 58 26.415 6.815 2.045 1.00 0.00 H new ATOM 742 N TRP A 59 24.127 4.300 1.810 1.00 0.00 N ATOM 743 CA TRP A 59 22.936 4.480 0.989 1.00 0.00 C ATOM 744 C TRP A 59 22.201 5.766 1.360 1.00 0.00 C ATOM 745 O TRP A 59 21.839 5.972 2.518 1.00 0.00 O ATOM 746 CB TRP A 59 21.998 3.286 1.160 1.00 0.00 C ATOM 747 CG TRP A 59 22.509 2.024 0.536 1.00 0.00 C ATOM 748 CD1 TRP A 59 23.127 0.984 1.171 1.00 0.00 C ATOM 749 CD2 TRP A 59 22.426 1.657 -0.844 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.432 -0.006 0.269 1.00 0.00 N ATOM 751 CE2 TRP A 59 23.018 0.388 -0.977 1.00 0.00 C ATOM 752 CE3 TRP A 59 21.912 2.282 -1.983 1.00 0.00 C ATOM 753 CZ2 TRP A 59 23.108 -0.266 -2.203 1.00 0.00 C ATOM 754 CZ3 TRP A 59 22.008 1.634 -3.197 1.00 0.00 C ATOM 755 CH2 TRP A 59 22.594 0.373 -3.298 1.00 0.00 C ATOM 0 H TRP A 59 23.938 4.182 2.805 1.00 0.00 H new ATOM 0 HA TRP A 59 23.251 4.551 -0.052 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.834 3.114 2.224 1.00 0.00 H new ATOM 0 HB3 TRP A 59 21.030 3.531 0.723 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.344 0.946 2.228 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.891 -0.890 0.490 1.00 0.00 H new ATOM 0 HE3 TRP A 59 21.448 3.255 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 23.566 -1.240 -2.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 21.622 2.112 -4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 59 22.643 -0.110 -4.263 1.00 0.00 H new ATOM 766 N ASN A 60 21.963 6.616 0.365 1.00 0.00 N ATOM 767 CA ASN A 60 21.263 7.876 0.586 1.00 0.00 C ATOM 768 C ASN A 60 20.485 8.292 -0.666 1.00 0.00 C ATOM 769 O ASN A 60 21.081 8.493 -1.724 1.00 0.00 O ATOM 770 CB ASN A 60 22.263 8.971 0.956 1.00 0.00 C ATOM 771 CG ASN A 60 22.545 9.017 2.444 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.759 9.558 3.221 1.00 0.00 O ATOM 773 ND2 ASN A 60 23.673 8.445 2.848 1.00 0.00 N ATOM 0 H ASN A 60 22.245 6.454 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 60 20.557 7.736 1.405 1.00 0.00 H new ATOM 0 HB2 ASN A 60 23.196 8.805 0.417 1.00 0.00 H new ATOM 0 HB3 ASN A 60 21.876 9.937 0.632 1.00 0.00 H new ATOM 0 HD21 ASN A 60 23.917 8.443 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 60 24.295 8.008 2.168 1.00 0.00 H new ATOM 780 N PRO A 61 19.143 8.414 -0.584 1.00 0.00 N ATOM 781 CA PRO A 61 18.367 8.195 0.644 1.00 0.00 C ATOM 782 C PRO A 61 18.265 6.718 1.012 1.00 0.00 C ATOM 783 O PRO A 61 18.925 5.871 0.410 1.00 0.00 O ATOM 784 CB PRO A 61 16.975 8.756 0.311 1.00 0.00 C ATOM 785 CG PRO A 61 17.126 9.469 -0.993 1.00 0.00 C ATOM 786 CD PRO A 61 18.274 8.809 -1.696 1.00 0.00 C ATOM 0 HA PRO A 61 18.837 8.675 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 61 16.238 7.956 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.630 9.435 1.091 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.213 9.397 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 61 17.322 10.530 -0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 61 17.950 7.949 -2.283 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.777 9.492 -2.381 1.00 0.00 H new ATOM 794 N GLU A 62 17.446 6.421 2.017 1.00 0.00 N ATOM 795 CA GLU A 62 17.255 5.061 2.482 1.00 0.00 C ATOM 796 C GLU A 62 15.844 4.562 2.148 1.00 0.00 C ATOM 797 O GLU A 62 15.229 5.018 1.184 1.00 0.00 O ATOM 798 CB GLU A 62 17.510 5.006 3.986 1.00 0.00 C ATOM 799 CG GLU A 62 16.401 5.638 4.798 1.00 0.00 C ATOM 800 CD GLU A 62 16.918 6.425 5.986 1.00 0.00 C ATOM 801 OE1 GLU A 62 16.639 6.019 7.134 1.00 0.00 O ATOM 802 OE2 GLU A 62 17.602 7.447 5.769 1.00 0.00 O ATOM 0 H GLU A 62 16.901 7.116 2.526 1.00 0.00 H new ATOM 0 HA GLU A 62 17.962 4.405 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 62 17.629 3.966 4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 62 18.449 5.512 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 62 15.818 6.299 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.725 4.859 5.150 1.00 0.00 H new ATOM 809 N ALA A 63 15.338 3.629 2.953 1.00 0.00 N ATOM 810 CA ALA A 63 14.001 3.081 2.758 1.00 0.00 C ATOM 811 C ALA A 63 12.942 4.037 3.304 1.00 0.00 C ATOM 812 O ALA A 63 12.845 4.237 4.515 1.00 0.00 O ATOM 813 CB ALA A 63 13.888 1.726 3.438 1.00 0.00 C ATOM 0 H ALA A 63 15.839 3.236 3.750 1.00 0.00 H new ATOM 0 HA ALA A 63 13.831 2.955 1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.886 1.325 3.286 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.621 1.042 3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.076 1.838 4.506 1.00 0.00 H new ATOM 819 N PRO A 64 12.138 4.652 2.422 1.00 0.00 N ATOM 820 CA PRO A 64 11.100 5.605 2.828 1.00 0.00 C ATOM 821 C PRO A 64 9.953 4.929 3.573 1.00 0.00 C ATOM 822 O PRO A 64 10.149 3.915 4.242 1.00 0.00 O ATOM 823 CB PRO A 64 10.607 6.199 1.502 1.00 0.00 C ATOM 824 CG PRO A 64 11.610 5.782 0.479 1.00 0.00 C ATOM 825 CD PRO A 64 12.182 4.490 0.963 1.00 0.00 C ATOM 0 HA PRO A 64 11.487 6.353 3.520 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.613 5.827 1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.536 7.285 1.561 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.142 5.660 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.389 6.536 0.367 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.593 3.635 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.199 4.335 0.602 1.00 0.00 H new ATOM 833 N ILE A 65 8.755 5.499 3.461 1.00 0.00 N ATOM 834 CA ILE A 65 7.584 4.952 4.140 1.00 0.00 C ATOM 835 C ILE A 65 6.625 4.305 3.150 1.00 0.00 C ATOM 836 O ILE A 65 6.867 4.296 1.943 1.00 0.00 O ATOM 837 CB ILE A 65 6.804 6.022 4.936 1.00 0.00 C ATOM 838 CG1 ILE A 65 7.669 7.251 5.234 1.00 0.00 C ATOM 839 CG2 ILE A 65 6.274 5.426 6.229 1.00 0.00 C ATOM 840 CD1 ILE A 65 6.989 8.252 6.140 1.00 0.00 C ATOM 0 H ILE A 65 8.571 6.336 2.908 1.00 0.00 H new ATOM 0 HA ILE A 65 7.970 4.207 4.836 1.00 0.00 H new ATOM 0 HB ILE A 65 5.967 6.350 4.320 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.602 6.927 5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.931 7.739 4.295 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.726 6.188 6.783 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.608 4.594 6.000 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.108 5.068 6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.654 9.098 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.070 8.603 5.670 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.752 7.778 7.092 1.00 0.00 H new ATOM 852 N CYS A 66 5.523 3.783 3.675 1.00 0.00 N ATOM 853 CA CYS A 66 4.508 3.142 2.855 1.00 0.00 C ATOM 854 C CYS A 66 3.235 2.917 3.660 1.00 0.00 C ATOM 855 O CYS A 66 3.240 2.206 4.665 1.00 0.00 O ATOM 856 CB CYS A 66 5.020 1.807 2.320 1.00 0.00 C ATOM 857 SG CYS A 66 5.601 1.867 0.594 1.00 0.00 S ATOM 0 H CYS A 66 5.311 3.793 4.673 1.00 0.00 H new ATOM 0 HA CYS A 66 4.284 3.800 2.015 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.837 1.463 2.955 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.223 1.068 2.398 1.00 0.00 H new ATOM 862 N GLU A 67 2.147 3.533 3.218 1.00 0.00 N ATOM 863 CA GLU A 67 0.866 3.398 3.896 1.00 0.00 C ATOM 864 C GLU A 67 -0.131 2.652 3.019 1.00 0.00 C ATOM 865 O GLU A 67 0.093 2.479 1.820 1.00 0.00 O ATOM 866 CB GLU A 67 0.311 4.776 4.261 1.00 0.00 C ATOM 867 CG GLU A 67 -0.341 4.827 5.633 1.00 0.00 C ATOM 868 CD GLU A 67 0.310 5.844 6.551 1.00 0.00 C ATOM 869 OE1 GLU A 67 0.532 5.517 7.736 1.00 0.00 O ATOM 870 OE2 GLU A 67 0.598 6.966 6.084 1.00 0.00 O ATOM 0 H GLU A 67 2.126 4.131 2.392 1.00 0.00 H new ATOM 0 HA GLU A 67 1.022 2.825 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.120 5.505 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.420 5.074 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.398 5.069 5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.287 3.841 6.094 1.00 0.00 H new ATOM 877 N SER A 68 -1.237 2.226 3.615 1.00 0.00 N ATOM 878 CA SER A 68 -2.267 1.509 2.878 1.00 0.00 C ATOM 879 C SER A 68 -3.498 2.383 2.667 1.00 0.00 C ATOM 880 O SER A 68 -4.123 2.839 3.624 1.00 0.00 O ATOM 881 CB SER A 68 -2.650 0.221 3.616 1.00 0.00 C ATOM 882 OG SER A 68 -3.813 0.402 4.406 1.00 0.00 O ATOM 0 H SER A 68 -1.443 2.364 4.604 1.00 0.00 H new ATOM 0 HA SER A 68 -1.864 1.249 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.820 -0.577 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.823 -0.095 4.251 1.00 0.00 H new ATOM 0 HG SER A 68 -3.935 1.356 4.596 1.00 0.00 H new ATOM 888 N VAL A 69 -3.840 2.605 1.403 1.00 0.00 N ATOM 889 CA VAL A 69 -4.995 3.419 1.046 1.00 0.00 C ATOM 890 C VAL A 69 -6.221 3.041 1.873 1.00 0.00 C ATOM 891 O VAL A 69 -6.959 2.120 1.522 1.00 0.00 O ATOM 892 CB VAL A 69 -5.331 3.269 -0.445 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.439 1.800 -0.808 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.284 3.964 -1.302 1.00 0.00 C ATOM 0 H VAL A 69 -3.330 2.230 0.604 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.732 4.455 1.257 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.292 3.745 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.678 1.704 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.490 1.304 -0.603 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.227 1.336 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.539 3.847 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.255 5.024 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.307 3.520 -1.114 1.00 0.00 H new ATOM 904 N LYS A 70 -6.433 3.761 2.969 1.00 0.00 N ATOM 905 CA LYS A 70 -7.563 3.498 3.852 1.00 0.00 C ATOM 906 C LYS A 70 -8.862 4.038 3.264 1.00 0.00 C ATOM 907 O LYS A 70 -8.963 5.221 2.937 1.00 0.00 O ATOM 908 CB LYS A 70 -7.316 4.128 5.224 1.00 0.00 C ATOM 909 CG LYS A 70 -6.827 3.139 6.268 1.00 0.00 C ATOM 910 CD LYS A 70 -7.958 2.681 7.175 1.00 0.00 C ATOM 911 CE LYS A 70 -7.543 1.491 8.023 1.00 0.00 C ATOM 912 NZ LYS A 70 -7.831 1.710 9.468 1.00 0.00 N ATOM 0 H LYS A 70 -5.836 4.532 3.267 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.659 2.418 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.582 4.927 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.240 4.587 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.384 2.275 5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.042 3.600 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.262 3.503 7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.825 2.414 6.571 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.068 0.600 7.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.477 1.304 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.533 0.875 10.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.310 2.545 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.851 1.863 9.599 1.00 0.00 H new ATOM 926 N CYS A 71 -9.860 3.167 3.144 1.00 0.00 N ATOM 927 CA CYS A 71 -11.163 3.561 2.617 1.00 0.00 C ATOM 928 C CYS A 71 -12.173 3.682 3.744 1.00 0.00 C ATOM 929 O CYS A 71 -12.373 2.747 4.516 1.00 0.00 O ATOM 930 CB CYS A 71 -11.688 2.558 1.579 1.00 0.00 C ATOM 931 SG CYS A 71 -10.461 1.360 0.950 1.00 0.00 S ATOM 0 H CYS A 71 -9.791 2.183 3.405 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.032 4.526 2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -12.516 2.004 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.092 3.115 0.734 1.00 0.00 H new ATOM 936 N GLN A 72 -12.818 4.833 3.825 1.00 0.00 N ATOM 937 CA GLN A 72 -13.823 5.062 4.843 1.00 0.00 C ATOM 938 C GLN A 72 -15.090 4.298 4.518 1.00 0.00 C ATOM 939 O GLN A 72 -15.105 3.445 3.631 1.00 0.00 O ATOM 940 CB GLN A 72 -14.115 6.557 4.974 1.00 0.00 C ATOM 941 CG GLN A 72 -14.918 7.132 3.818 1.00 0.00 C ATOM 942 CD GLN A 72 -14.063 7.420 2.600 1.00 0.00 C ATOM 943 OE1 GLN A 72 -13.353 8.424 2.549 1.00 0.00 O ATOM 944 NE2 GLN A 72 -14.125 6.536 1.611 1.00 0.00 N ATOM 0 H GLN A 72 -12.662 5.622 3.197 1.00 0.00 H new ATOM 0 HA GLN A 72 -13.440 4.700 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -14.658 6.731 5.903 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.171 7.096 5.051 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.708 6.432 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -15.405 8.052 4.141 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -14.727 5.717 1.696 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -13.570 6.676 0.767 1.00 0.00 H new ATOM 953 N SER A 73 -16.150 4.601 5.249 1.00 0.00 N ATOM 954 CA SER A 73 -17.431 3.980 5.048 1.00 0.00 C ATOM 955 C SER A 73 -17.763 3.852 3.560 1.00 0.00 C ATOM 956 O SER A 73 -17.534 4.782 2.786 1.00 0.00 O ATOM 957 CB SER A 73 -18.472 4.831 5.755 1.00 0.00 C ATOM 958 OG SER A 73 -17.918 6.048 6.229 1.00 0.00 O ATOM 0 H SER A 73 -16.137 5.290 6.001 1.00 0.00 H new ATOM 0 HA SER A 73 -17.418 2.970 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.292 5.046 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.893 4.272 6.591 1.00 0.00 H new ATOM 0 HG SER A 73 -18.615 6.572 6.677 1.00 0.00 H new ATOM 964 N PRO A 74 -18.264 2.683 3.128 1.00 0.00 N ATOM 965 CA PRO A 74 -18.591 2.447 1.720 1.00 0.00 C ATOM 966 C PRO A 74 -19.571 3.487 1.180 1.00 0.00 C ATOM 967 O PRO A 74 -20.249 4.170 1.947 1.00 0.00 O ATOM 968 CB PRO A 74 -19.212 1.047 1.711 1.00 0.00 C ATOM 969 CG PRO A 74 -18.749 0.404 2.977 1.00 0.00 C ATOM 970 CD PRO A 74 -18.563 1.514 3.972 1.00 0.00 C ATOM 0 HA PRO A 74 -17.713 2.524 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.300 1.099 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -18.888 0.478 0.839 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -19.481 -0.320 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -17.816 -0.137 2.819 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -19.460 1.670 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -17.749 1.300 4.665 1.00 0.00 H new ATOM 978 N PRO A 75 -19.632 3.643 -0.153 1.00 0.00 N ATOM 979 CA PRO A 75 -20.509 4.621 -0.796 1.00 0.00 C ATOM 980 C PRO A 75 -21.884 4.699 -0.147 1.00 0.00 C ATOM 981 O PRO A 75 -22.335 3.753 0.499 1.00 0.00 O ATOM 982 CB PRO A 75 -20.616 4.097 -2.223 1.00 0.00 C ATOM 983 CG PRO A 75 -19.311 3.420 -2.471 1.00 0.00 C ATOM 984 CD PRO A 75 -18.846 2.880 -1.141 1.00 0.00 C ATOM 0 HA PRO A 75 -20.115 5.635 -0.722 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -21.450 3.403 -2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -20.784 4.908 -2.932 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -19.424 2.616 -3.198 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -18.583 4.120 -2.881 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -19.032 1.809 -1.058 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.775 3.030 -1.001 1.00 0.00 H new ATOM 992 N SER A 76 -22.544 5.838 -0.326 1.00 0.00 N ATOM 993 CA SER A 76 -23.873 6.051 0.231 1.00 0.00 C ATOM 994 C SER A 76 -24.925 6.047 -0.872 1.00 0.00 C ATOM 995 O SER A 76 -25.244 7.090 -1.444 1.00 0.00 O ATOM 996 CB SER A 76 -23.925 7.375 0.995 1.00 0.00 C ATOM 997 OG SER A 76 -22.907 7.437 1.979 1.00 0.00 O ATOM 0 H SER A 76 -22.178 6.630 -0.854 1.00 0.00 H new ATOM 0 HA SER A 76 -24.087 5.235 0.921 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.812 8.205 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 76 -24.900 7.487 1.469 1.00 0.00 H new ATOM 0 HG SER A 76 -22.961 8.294 2.452 1.00 0.00 H new ATOM 1003 N ILE A 77 -25.464 4.869 -1.162 1.00 0.00 N ATOM 1004 CA ILE A 77 -26.471 4.725 -2.206 1.00 0.00 C ATOM 1005 C ILE A 77 -27.787 5.379 -1.800 1.00 0.00 C ATOM 1006 O ILE A 77 -27.960 5.790 -0.652 1.00 0.00 O ATOM 1007 CB ILE A 77 -26.732 3.244 -2.533 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -27.274 2.515 -1.302 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -25.458 2.581 -3.033 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -28.037 1.251 -1.633 1.00 0.00 C ATOM 0 H ILE A 77 -25.220 3.999 -0.688 1.00 0.00 H new ATOM 0 HA ILE A 77 -26.078 5.225 -3.091 1.00 0.00 H new ATOM 0 HB ILE A 77 -27.481 3.187 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -26.443 2.265 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -27.928 3.190 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -25.658 1.534 -3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -25.113 3.088 -3.934 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -24.689 2.645 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -28.391 0.788 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -28.889 1.496 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -27.381 0.557 -2.159 1.00 0.00 H new ATOM 1022 N SER A 78 -28.711 5.471 -2.750 1.00 0.00 N ATOM 1023 CA SER A 78 -30.014 6.071 -2.492 1.00 0.00 C ATOM 1024 C SER A 78 -31.019 5.013 -2.054 1.00 0.00 C ATOM 1025 O SER A 78 -31.112 3.944 -2.656 1.00 0.00 O ATOM 1026 CB SER A 78 -30.525 6.793 -3.740 1.00 0.00 C ATOM 1027 OG SER A 78 -29.453 7.326 -4.497 1.00 0.00 O ATOM 0 H SER A 78 -28.582 5.138 -3.705 1.00 0.00 H new ATOM 0 HA SER A 78 -29.900 6.796 -1.686 1.00 0.00 H new ATOM 0 HB2 SER A 78 -31.099 6.100 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 78 -31.202 7.596 -3.448 1.00 0.00 H new ATOM 0 HG SER A 78 -29.807 7.781 -5.290 1.00 0.00 H new ATOM 1033 N ASN A 79 -31.764 5.317 -0.999 1.00 0.00 N ATOM 1034 CA ASN A 79 -32.759 4.391 -0.471 1.00 0.00 C ATOM 1035 C ASN A 79 -32.084 3.169 0.138 1.00 0.00 C ATOM 1036 O ASN A 79 -32.671 2.088 0.199 1.00 0.00 O ATOM 1037 CB ASN A 79 -33.742 3.950 -1.564 1.00 0.00 C ATOM 1038 CG ASN A 79 -33.897 4.958 -2.673 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -33.903 6.221 -2.305 1.00 0.00 O flip ATOM 1040 ND2 ASN A 79 -34.017 4.602 -3.846 1.00 0.00 N flip ATOM 0 H ASN A 79 -31.698 6.199 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 79 -33.317 4.914 0.305 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -33.403 3.005 -1.987 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -34.717 3.765 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -34.006 3.610 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -34.127 5.300 -4.582 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.849 3.349 0.588 1.00 0.00 N ATOM 1048 CA GLY A 80 -30.114 2.252 1.190 1.00 0.00 C ATOM 1049 C GLY A 80 -28.812 2.698 1.825 1.00 0.00 C ATOM 1050 O GLY A 80 -28.551 3.894 1.954 1.00 0.00 O ATOM 0 H GLY A 80 -30.343 4.234 0.547 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.737 1.774 1.946 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.904 1.500 0.429 1.00 0.00 H new ATOM 1054 N ARG A 81 -27.997 1.729 2.228 1.00 0.00 N ATOM 1055 CA ARG A 81 -26.718 2.017 2.864 1.00 0.00 C ATOM 1056 C ARG A 81 -25.886 0.750 3.003 1.00 0.00 C ATOM 1057 O ARG A 81 -26.279 -0.319 2.539 1.00 0.00 O ATOM 1058 CB ARG A 81 -26.940 2.643 4.241 1.00 0.00 C ATOM 1059 CG ARG A 81 -28.161 2.107 4.968 1.00 0.00 C ATOM 1060 CD ARG A 81 -28.555 3.009 6.124 1.00 0.00 C ATOM 1061 NE ARG A 81 -28.389 2.347 7.415 1.00 0.00 N ATOM 1062 CZ ARG A 81 -29.279 1.505 7.931 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -30.393 1.226 7.268 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -29.055 0.943 9.111 1.00 0.00 N ATOM 0 H ARG A 81 -28.201 0.735 2.125 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.177 2.722 2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -26.057 2.469 4.856 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.041 3.722 4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -28.994 2.022 4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -27.954 1.104 5.341 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -27.949 3.915 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -29.594 3.318 6.006 1.00 0.00 H new ATOM 0 HE ARG A 81 -27.543 2.541 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -30.568 1.658 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -31.075 0.580 7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -28.199 1.157 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -29.738 0.297 9.506 1.00 0.00 H new ATOM 1078 N HIS A 82 -24.738 0.877 3.654 1.00 0.00 N ATOM 1079 CA HIS A 82 -23.853 -0.260 3.867 1.00 0.00 C ATOM 1080 C HIS A 82 -24.104 -0.897 5.231 1.00 0.00 C ATOM 1081 O HIS A 82 -24.915 -0.405 6.015 1.00 0.00 O ATOM 1082 CB HIS A 82 -22.393 0.173 3.753 1.00 0.00 C ATOM 1083 CG HIS A 82 -22.057 1.368 4.588 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.057 1.347 5.967 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -21.711 2.629 4.233 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -21.725 2.542 6.424 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -21.509 3.336 5.392 1.00 0.00 N ATOM 0 H HIS A 82 -24.398 1.756 4.044 1.00 0.00 H new ATOM 0 HA HIS A 82 -24.064 -1.001 3.096 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -21.752 -0.658 4.048 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -22.169 0.394 2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -21.613 3.007 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.644 2.821 7.464 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -21.236 4.317 5.447 1.00 0.00 H new ATOM 1096 N ASN A 83 -23.408 -1.996 5.505 1.00 0.00 N ATOM 1097 CA ASN A 83 -23.558 -2.699 6.776 1.00 0.00 C ATOM 1098 C ASN A 83 -22.228 -2.793 7.513 1.00 0.00 C ATOM 1099 O ASN A 83 -22.040 -3.664 8.362 1.00 0.00 O ATOM 1100 CB ASN A 83 -24.107 -4.107 6.546 1.00 0.00 C ATOM 1101 CG ASN A 83 -25.139 -4.159 5.437 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -25.089 -5.215 4.634 1.00 0.00 O flip ATOM 1103 ND2 ASN A 83 -25.973 -3.263 5.306 1.00 0.00 N flip ATOM 0 H ASN A 83 -22.735 -2.419 4.866 1.00 0.00 H new ATOM 0 HA ASN A 83 -24.259 -2.129 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.284 -4.778 6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -24.554 -4.474 7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -25.974 -2.470 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -26.663 -3.314 4.557 1.00 0.00 H new ATOM 1110 N GLY A 84 -21.302 -1.904 7.177 1.00 0.00 N ATOM 1111 CA GLY A 84 -19.999 -1.925 7.809 1.00 0.00 C ATOM 1112 C GLY A 84 -20.085 -1.923 9.322 1.00 0.00 C ATOM 1113 O GLY A 84 -21.035 -1.391 9.897 1.00 0.00 O ATOM 0 H GLY A 84 -21.430 -1.171 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.454 -2.810 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -19.426 -1.058 7.480 1.00 0.00 H new ATOM 1117 N TYR A 85 -19.090 -2.521 9.968 1.00 0.00 N ATOM 1118 CA TYR A 85 -19.048 -2.580 11.423 1.00 0.00 C ATOM 1119 C TYR A 85 -17.974 -1.648 11.964 1.00 0.00 C ATOM 1120 O TYR A 85 -18.084 -1.129 13.075 1.00 0.00 O ATOM 1121 CB TYR A 85 -18.778 -4.012 11.885 1.00 0.00 C ATOM 1122 CG TYR A 85 -19.623 -5.045 11.176 1.00 0.00 C ATOM 1123 CD1 TYR A 85 -19.249 -5.540 9.933 1.00 0.00 C ATOM 1124 CD2 TYR A 85 -20.794 -5.524 11.748 1.00 0.00 C ATOM 1125 CE1 TYR A 85 -20.019 -6.484 9.281 1.00 0.00 C ATOM 1126 CE2 TYR A 85 -21.570 -6.468 11.102 1.00 0.00 C ATOM 1127 CZ TYR A 85 -21.178 -6.944 9.869 1.00 0.00 C ATOM 1128 OH TYR A 85 -21.947 -7.884 9.222 1.00 0.00 O ATOM 0 H TYR A 85 -18.301 -2.972 9.505 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.015 -2.259 11.809 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.725 -4.244 11.725 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -18.960 -4.079 12.958 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -18.342 -5.181 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -21.104 -5.153 12.714 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -19.714 -6.860 8.315 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -22.478 -6.831 11.561 1.00 0.00 H new ATOM 0 HH TYR A 85 -22.728 -8.102 9.772 1.00 0.00 H new ATOM 1138 N GLU A 86 -16.940 -1.435 11.161 1.00 0.00 N ATOM 1139 CA GLU A 86 -15.842 -0.561 11.537 1.00 0.00 C ATOM 1140 C GLU A 86 -16.077 0.852 11.015 1.00 0.00 C ATOM 1141 O GLU A 86 -17.149 1.160 10.493 1.00 0.00 O ATOM 1142 CB GLU A 86 -14.526 -1.112 10.987 1.00 0.00 C ATOM 1143 CG GLU A 86 -13.742 -1.930 11.999 1.00 0.00 C ATOM 1144 CD GLU A 86 -12.361 -1.364 12.263 1.00 0.00 C ATOM 1145 OE1 GLU A 86 -11.393 -1.842 11.634 1.00 0.00 O ATOM 1146 OE2 GLU A 86 -12.247 -0.443 13.099 1.00 0.00 O ATOM 0 H GLU A 86 -16.841 -1.860 10.239 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.786 -0.521 12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.737 -1.732 10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.908 -0.282 10.646 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.298 -1.972 12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.648 -2.954 11.638 1.00 0.00 H new ATOM 1153 N ASP A 87 -15.071 1.707 11.154 1.00 0.00 N ATOM 1154 CA ASP A 87 -15.173 3.086 10.688 1.00 0.00 C ATOM 1155 C ASP A 87 -14.324 3.309 9.442 1.00 0.00 C ATOM 1156 O ASP A 87 -14.569 4.238 8.672 1.00 0.00 O ATOM 1157 CB ASP A 87 -14.747 4.057 11.791 1.00 0.00 C ATOM 1158 CG ASP A 87 -15.926 4.587 12.584 1.00 0.00 C ATOM 1159 OD1 ASP A 87 -16.455 5.657 12.219 1.00 0.00 O ATOM 1160 OD2 ASP A 87 -16.321 3.930 13.571 1.00 0.00 O ATOM 0 H ASP A 87 -14.177 1.471 11.585 1.00 0.00 H new ATOM 0 HA ASP A 87 -16.215 3.275 10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -14.055 3.554 12.467 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -14.207 4.893 11.346 1.00 0.00 H new ATOM 1165 N PHE A 88 -13.331 2.450 9.243 1.00 0.00 N ATOM 1166 CA PHE A 88 -12.448 2.562 8.090 1.00 0.00 C ATOM 1167 C PHE A 88 -12.143 1.191 7.495 1.00 0.00 C ATOM 1168 O PHE A 88 -12.449 0.159 8.092 1.00 0.00 O ATOM 1169 CB PHE A 88 -11.146 3.257 8.488 1.00 0.00 C ATOM 1170 CG PHE A 88 -11.152 4.731 8.227 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -10.549 5.243 7.092 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -11.759 5.604 9.113 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -10.551 6.599 6.844 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -11.764 6.963 8.872 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.159 7.463 7.735 1.00 0.00 C ATOM 0 H PHE A 88 -13.118 1.670 9.864 1.00 0.00 H new ATOM 0 HA PHE A 88 -12.958 3.158 7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.961 3.085 9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.319 2.803 7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.071 4.573 6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.234 5.218 10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.078 6.986 5.954 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.240 7.635 9.571 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.161 8.526 7.543 1.00 0.00 H new ATOM 1185 N TYR A 89 -11.537 1.195 6.313 1.00 0.00 N ATOM 1186 CA TYR A 89 -11.187 -0.040 5.623 1.00 0.00 C ATOM 1187 C TYR A 89 -9.876 0.124 4.860 1.00 0.00 C ATOM 1188 O TYR A 89 -9.357 1.233 4.733 1.00 0.00 O ATOM 1189 CB TYR A 89 -12.305 -0.442 4.659 1.00 0.00 C ATOM 1190 CG TYR A 89 -13.637 -0.671 5.336 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -14.401 0.396 5.794 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -14.131 -1.957 5.517 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -15.622 0.187 6.407 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -15.348 -2.173 6.133 1.00 0.00 C ATOM 1195 CZ TYR A 89 -16.089 -1.099 6.576 1.00 0.00 C ATOM 1196 OH TYR A 89 -17.301 -1.311 7.190 1.00 0.00 O ATOM 0 H TYR A 89 -11.277 2.044 5.811 1.00 0.00 H new ATOM 0 HA TYR A 89 -11.060 -0.825 6.368 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -12.420 0.336 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -12.012 -1.352 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -14.035 1.404 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -13.554 -2.801 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -16.207 1.027 6.752 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -15.717 -3.179 6.267 1.00 0.00 H new ATOM 0 HH TYR A 89 -17.371 -2.251 7.459 1.00 0.00 H new ATOM 1206 N THR A 90 -9.345 -0.984 4.353 1.00 0.00 N ATOM 1207 CA THR A 90 -8.092 -0.952 3.608 1.00 0.00 C ATOM 1208 C THR A 90 -8.199 -1.754 2.315 1.00 0.00 C ATOM 1209 O THR A 90 -9.217 -2.394 2.050 1.00 0.00 O ATOM 1210 CB THR A 90 -6.950 -1.498 4.467 1.00 0.00 C ATOM 1211 OG1 THR A 90 -7.338 -2.697 5.114 1.00 0.00 O ATOM 1212 CG2 THR A 90 -6.486 -0.528 5.532 1.00 0.00 C ATOM 0 H THR A 90 -9.761 -1.911 4.444 1.00 0.00 H new ATOM 0 HA THR A 90 -7.882 0.086 3.350 1.00 0.00 H new ATOM 0 HB THR A 90 -6.126 -1.673 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.594 -3.031 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.675 -0.977 6.105 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.132 0.389 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.316 -0.296 6.199 1.00 0.00 H new ATOM 1220 N ASP A 91 -7.140 -1.711 1.513 1.00 0.00 N ATOM 1221 CA ASP A 91 -7.108 -2.428 0.247 1.00 0.00 C ATOM 1222 C ASP A 91 -7.276 -3.921 0.462 1.00 0.00 C ATOM 1223 O ASP A 91 -6.314 -4.641 0.729 1.00 0.00 O ATOM 1224 CB ASP A 91 -5.800 -2.153 -0.494 1.00 0.00 C ATOM 1225 CG ASP A 91 -4.582 -2.355 0.386 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -3.451 -2.232 -0.129 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -4.759 -2.635 1.590 1.00 0.00 O ATOM 0 H ASP A 91 -6.291 -1.185 1.720 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.940 -2.070 -0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.732 -2.811 -1.360 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.807 -1.130 -0.870 1.00 0.00 H new ATOM 1232 N GLY A 92 -8.512 -4.373 0.343 1.00 0.00 N ATOM 1233 CA GLY A 92 -8.807 -5.783 0.497 1.00 0.00 C ATOM 1234 C GLY A 92 -9.925 -6.055 1.488 1.00 0.00 C ATOM 1235 O GLY A 92 -9.965 -7.118 2.107 1.00 0.00 O ATOM 0 H GLY A 92 -9.322 -3.787 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.081 -6.198 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.906 -6.303 0.824 1.00 0.00 H new ATOM 1239 N SER A 93 -10.839 -5.101 1.637 1.00 0.00 N ATOM 1240 CA SER A 93 -11.965 -5.262 2.549 1.00 0.00 C ATOM 1241 C SER A 93 -13.268 -5.415 1.773 1.00 0.00 C ATOM 1242 O SER A 93 -13.325 -5.125 0.578 1.00 0.00 O ATOM 1243 CB SER A 93 -12.058 -4.067 3.499 1.00 0.00 C ATOM 1244 OG SER A 93 -10.820 -3.383 3.583 1.00 0.00 O ATOM 0 H SER A 93 -10.822 -4.211 1.139 1.00 0.00 H new ATOM 0 HA SER A 93 -11.801 -6.166 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.832 -3.382 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.356 -4.409 4.490 1.00 0.00 H new ATOM 0 HG SER A 93 -10.695 -2.834 2.781 1.00 0.00 H new ATOM 1250 N VAL A 94 -14.313 -5.874 2.453 1.00 0.00 N ATOM 1251 CA VAL A 94 -15.607 -6.067 1.814 1.00 0.00 C ATOM 1252 C VAL A 94 -16.745 -5.602 2.717 1.00 0.00 C ATOM 1253 O VAL A 94 -16.614 -5.574 3.941 1.00 0.00 O ATOM 1254 CB VAL A 94 -15.827 -7.544 1.426 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -14.754 -7.999 0.451 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -17.213 -7.748 0.831 1.00 0.00 C ATOM 0 H VAL A 94 -14.289 -6.118 3.443 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.607 -5.462 0.907 1.00 0.00 H new ATOM 0 HB VAL A 94 -15.755 -8.150 2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -14.922 -9.043 0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -14.796 -7.385 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.773 -7.896 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -17.344 -8.797 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -17.969 -7.462 1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.320 -7.132 -0.062 1.00 0.00 H new ATOM 1266 N VAL A 95 -17.864 -5.242 2.097 1.00 0.00 N ATOM 1267 CA VAL A 95 -19.036 -4.783 2.831 1.00 0.00 C ATOM 1268 C VAL A 95 -20.314 -5.075 2.057 1.00 0.00 C ATOM 1269 O VAL A 95 -20.323 -5.067 0.827 1.00 0.00 O ATOM 1270 CB VAL A 95 -18.970 -3.273 3.119 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -20.097 -2.854 4.047 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -17.623 -2.898 3.709 1.00 0.00 C ATOM 0 H VAL A 95 -17.983 -5.260 1.084 1.00 0.00 H new ATOM 0 HA VAL A 95 -19.045 -5.326 3.776 1.00 0.00 H new ATOM 0 HB VAL A 95 -19.089 -2.741 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -20.032 -1.783 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.056 -3.082 3.581 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.013 -3.396 4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.597 -1.826 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.470 -3.441 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -16.832 -3.157 3.005 1.00 0.00 H new ATOM 1282 N THR A 96 -21.394 -5.324 2.787 1.00 0.00 N ATOM 1283 CA THR A 96 -22.684 -5.597 2.173 1.00 0.00 C ATOM 1284 C THR A 96 -23.600 -4.387 2.307 1.00 0.00 C ATOM 1285 O THR A 96 -23.571 -3.686 3.319 1.00 0.00 O ATOM 1286 CB THR A 96 -23.331 -6.822 2.818 1.00 0.00 C ATOM 1287 OG1 THR A 96 -22.736 -7.099 4.074 1.00 0.00 O ATOM 1288 CG2 THR A 96 -23.224 -8.072 1.972 1.00 0.00 C ATOM 0 H THR A 96 -21.400 -5.342 3.807 1.00 0.00 H new ATOM 0 HA THR A 96 -22.528 -5.802 1.114 1.00 0.00 H new ATOM 0 HB THR A 96 -24.385 -6.568 2.927 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.233 -6.636 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.703 -8.903 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 96 -23.718 -7.907 1.015 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.173 -8.308 1.802 1.00 0.00 H new ATOM 1296 N TYR A 97 -24.397 -4.133 1.278 1.00 0.00 N ATOM 1297 CA TYR A 97 -25.304 -2.994 1.287 1.00 0.00 C ATOM 1298 C TYR A 97 -26.729 -3.425 1.605 1.00 0.00 C ATOM 1299 O TYR A 97 -27.109 -4.573 1.376 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.268 -2.277 -0.060 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.196 -1.221 -0.160 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -24.500 0.057 -0.604 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -22.877 -1.507 0.169 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -23.521 1.025 -0.708 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -21.894 -0.546 0.069 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.221 0.719 -0.368 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.243 1.678 -0.477 1.00 0.00 O ATOM 0 H TYR A 97 -24.434 -4.698 0.430 1.00 0.00 H new ATOM 0 HA TYR A 97 -24.971 -2.310 2.068 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.114 -3.013 -0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.238 -1.814 -0.241 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -25.518 0.299 -0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -22.617 -2.499 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -23.773 2.017 -1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -20.874 -0.783 0.332 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.491 2.461 0.058 1.00 0.00 H new ATOM 1317 N SER A 98 -27.512 -2.492 2.129 1.00 0.00 N ATOM 1318 CA SER A 98 -28.900 -2.771 2.483 1.00 0.00 C ATOM 1319 C SER A 98 -29.771 -1.529 2.318 1.00 0.00 C ATOM 1320 O SER A 98 -29.345 -0.414 2.620 1.00 0.00 O ATOM 1321 CB SER A 98 -28.987 -3.278 3.924 1.00 0.00 C ATOM 1322 OG SER A 98 -28.196 -4.440 4.105 1.00 0.00 O ATOM 0 H SER A 98 -27.212 -1.536 2.319 1.00 0.00 H new ATOM 0 HA SER A 98 -29.270 -3.542 1.807 1.00 0.00 H new ATOM 0 HB2 SER A 98 -28.654 -2.497 4.608 1.00 0.00 H new ATOM 0 HB3 SER A 98 -30.025 -3.499 4.173 1.00 0.00 H new ATOM 0 HG SER A 98 -28.268 -4.743 5.034 1.00 0.00 H new ATOM 1328 N CYS A 99 -30.996 -1.732 1.841 1.00 0.00 N ATOM 1329 CA CYS A 99 -31.934 -0.631 1.641 1.00 0.00 C ATOM 1330 C CYS A 99 -32.458 -0.117 2.979 1.00 0.00 C ATOM 1331 O CYS A 99 -32.354 -0.798 3.999 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.097 -1.079 0.758 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.586 -1.680 -0.885 1.00 0.00 S ATOM 0 H CYS A 99 -31.363 -2.649 1.586 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.405 0.182 1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.645 -1.870 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.787 -0.244 0.631 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.020 1.089 2.969 1.00 0.00 N ATOM 1339 CA ASN A 100 -33.542 1.696 4.186 1.00 0.00 C ATOM 1340 C ASN A 100 -35.027 1.390 4.367 1.00 0.00 C ATOM 1341 O ASN A 100 -35.410 0.634 5.259 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.321 3.209 4.154 1.00 0.00 C ATOM 1343 CG ASN A 100 -31.904 3.581 3.761 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -30.938 3.030 4.287 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.774 4.523 2.833 1.00 0.00 N ATOM 0 H ASN A 100 -33.125 1.663 2.132 1.00 0.00 H new ATOM 0 HA ASN A 100 -33.003 1.269 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -34.020 3.660 3.450 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -33.544 3.626 5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.845 4.816 2.530 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -32.603 4.953 2.423 1.00 0.00 H new ATOM 1352 N SER A 101 -35.861 1.993 3.524 1.00 0.00 N ATOM 1353 CA SER A 101 -37.305 1.796 3.604 1.00 0.00 C ATOM 1354 C SER A 101 -37.680 0.344 3.324 1.00 0.00 C ATOM 1355 O SER A 101 -38.742 -0.122 3.739 1.00 0.00 O ATOM 1356 CB SER A 101 -38.020 2.717 2.613 1.00 0.00 C ATOM 1357 OG SER A 101 -37.938 4.071 3.023 1.00 0.00 O ATOM 0 H SER A 101 -35.562 2.621 2.778 1.00 0.00 H new ATOM 0 HA SER A 101 -37.621 2.042 4.618 1.00 0.00 H new ATOM 0 HB2 SER A 101 -37.576 2.606 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 101 -39.066 2.422 2.528 1.00 0.00 H new ATOM 0 HG SER A 101 -38.401 4.639 2.372 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.809 -0.363 2.614 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.074 -1.752 2.288 1.00 0.00 C ATOM 1365 C GLY A 102 -37.070 -2.008 0.794 1.00 0.00 C ATOM 1366 O GLY A 102 -37.812 -2.857 0.300 1.00 0.00 O ATOM 0 H GLY A 102 -35.925 0.000 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -36.323 -2.383 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.041 -2.041 2.700 1.00 0.00 H new ATOM 1370 N TYR A 103 -36.234 -1.269 0.072 1.00 0.00 N ATOM 1371 CA TYR A 103 -36.127 -1.419 -1.368 1.00 0.00 C ATOM 1372 C TYR A 103 -35.471 -2.745 -1.724 1.00 0.00 C ATOM 1373 O TYR A 103 -35.148 -3.548 -0.849 1.00 0.00 O ATOM 1374 CB TYR A 103 -35.310 -0.266 -1.957 1.00 0.00 C ATOM 1375 CG TYR A 103 -36.126 0.969 -2.260 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -36.293 1.963 -1.304 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -36.724 1.145 -3.501 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -37.034 3.097 -1.576 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -37.468 2.276 -3.781 1.00 0.00 C ATOM 1380 CZ TYR A 103 -37.620 3.248 -2.814 1.00 0.00 C ATOM 1381 OH TYR A 103 -38.361 4.375 -3.088 1.00 0.00 O ATOM 0 H TYR A 103 -35.619 -0.557 0.467 1.00 0.00 H new ATOM 0 HA TYR A 103 -37.132 -1.402 -1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -34.516 -0.003 -1.259 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -34.829 -0.606 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -35.836 1.847 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -36.606 0.386 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -37.153 3.861 -0.822 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -37.927 2.398 -4.751 1.00 0.00 H new ATOM 0 HH TYR A 103 -38.704 4.326 -4.005 1.00 0.00 H new ATOM 1391 N SER A 104 -35.266 -2.958 -3.015 1.00 0.00 N ATOM 1392 CA SER A 104 -34.618 -4.170 -3.498 1.00 0.00 C ATOM 1393 C SER A 104 -33.215 -3.852 -3.999 1.00 0.00 C ATOM 1394 O SER A 104 -33.044 -3.324 -5.098 1.00 0.00 O ATOM 1395 CB SER A 104 -35.441 -4.807 -4.618 1.00 0.00 C ATOM 1396 OG SER A 104 -36.830 -4.648 -4.386 1.00 0.00 O ATOM 0 H SER A 104 -35.540 -2.306 -3.750 1.00 0.00 H new ATOM 0 HA SER A 104 -34.548 -4.877 -2.671 1.00 0.00 H new ATOM 0 HB2 SER A 104 -35.175 -4.353 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 104 -35.201 -5.868 -4.692 1.00 0.00 H new ATOM 0 HG SER A 104 -37.333 -5.063 -5.117 1.00 0.00 H new ATOM 1402 N LEU A 105 -32.211 -4.160 -3.181 1.00 0.00 N ATOM 1403 CA LEU A 105 -30.829 -3.871 -3.530 1.00 0.00 C ATOM 1404 C LEU A 105 -30.508 -4.291 -4.953 1.00 0.00 C ATOM 1405 O LEU A 105 -30.704 -5.442 -5.342 1.00 0.00 O ATOM 1406 CB LEU A 105 -29.864 -4.543 -2.565 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.675 -3.667 -2.179 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -28.889 -3.063 -0.804 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.380 -4.457 -2.238 1.00 0.00 C ATOM 0 H LEU A 105 -32.332 -4.609 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 105 -30.706 -2.791 -3.456 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -30.405 -4.825 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.495 -5.464 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 105 -28.597 -2.852 -2.899 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.033 -2.441 -0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.792 -2.453 -0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -28.996 -3.861 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -26.547 -3.812 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -27.435 -5.298 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -27.227 -4.829 -3.251 1.00 0.00 H new ATOM 1421 N ILE A 106 -30.009 -3.336 -5.716 1.00 0.00 N ATOM 1422 CA ILE A 106 -29.632 -3.572 -7.097 1.00 0.00 C ATOM 1423 C ILE A 106 -28.168 -3.993 -7.181 1.00 0.00 C ATOM 1424 O ILE A 106 -27.363 -3.633 -6.327 1.00 0.00 O ATOM 1425 CB ILE A 106 -29.867 -2.309 -7.949 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -31.360 -1.990 -8.004 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -29.307 -2.483 -9.355 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -32.201 -3.133 -8.523 1.00 0.00 C ATOM 0 H ILE A 106 -29.854 -2.379 -5.398 1.00 0.00 H new ATOM 0 HA ILE A 106 -30.255 -4.376 -7.489 1.00 0.00 H new ATOM 0 HB ILE A 106 -29.341 -1.476 -7.482 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -31.703 -1.721 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -31.514 -1.118 -8.640 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -29.487 -1.577 -9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -28.235 -2.670 -9.299 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -29.798 -3.327 -9.840 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -33.250 -2.837 -8.535 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -31.884 -3.388 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -32.076 -4.000 -7.875 1.00 0.00 H new ATOM 1440 N GLY A 107 -27.832 -4.763 -8.206 1.00 0.00 N ATOM 1441 CA GLY A 107 -26.467 -5.222 -8.362 1.00 0.00 C ATOM 1442 C GLY A 107 -26.072 -6.221 -7.294 1.00 0.00 C ATOM 1443 O GLY A 107 -26.766 -7.212 -7.072 1.00 0.00 O ATOM 0 H GLY A 107 -28.478 -5.077 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -26.349 -5.678 -9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -25.792 -4.367 -8.325 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.960 -5.950 -6.628 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.467 -6.823 -5.569 1.00 0.00 C ATOM 1449 C ASN A 108 -24.250 -6.043 -4.276 1.00 0.00 C ATOM 1450 O ASN A 108 -23.648 -4.969 -4.283 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.160 -7.492 -5.999 1.00 0.00 C ATOM 1452 CG ASN A 108 -23.188 -7.936 -7.449 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -23.035 -6.985 -8.362 1.00 0.00 O flip ATOM 1454 ND2 ASN A 108 -23.345 -9.121 -7.744 1.00 0.00 N flip ATOM 0 H ASN A 108 -24.379 -5.130 -6.802 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.219 -7.591 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -22.333 -6.797 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -22.970 -8.355 -5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -23.459 -9.819 -7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -23.361 -9.405 -8.724 1.00 0.00 H new ATOM 1461 N SER A 109 -24.745 -6.586 -3.168 1.00 0.00 N ATOM 1462 CA SER A 109 -24.600 -5.937 -1.870 1.00 0.00 C ATOM 1463 C SER A 109 -23.129 -5.824 -1.483 1.00 0.00 C ATOM 1464 O SER A 109 -22.718 -4.859 -0.838 1.00 0.00 O ATOM 1465 CB SER A 109 -25.369 -6.710 -0.796 1.00 0.00 C ATOM 1466 OG SER A 109 -24.806 -6.504 0.488 1.00 0.00 O ATOM 0 H SER A 109 -25.249 -7.472 -3.143 1.00 0.00 H new ATOM 0 HA SER A 109 -25.016 -4.932 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.412 -6.393 -0.793 1.00 0.00 H new ATOM 0 HB3 SER A 109 -25.360 -7.774 -1.033 1.00 0.00 H new ATOM 0 HG SER A 109 -25.521 -6.331 1.135 1.00 0.00 H new ATOM 1472 N GLY A 110 -22.341 -6.809 -1.895 1.00 0.00 N ATOM 1473 CA GLY A 110 -20.924 -6.809 -1.581 1.00 0.00 C ATOM 1474 C GLY A 110 -20.173 -5.675 -2.254 1.00 0.00 C ATOM 1475 O GLY A 110 -20.425 -5.358 -3.417 1.00 0.00 O ATOM 0 H GLY A 110 -22.658 -7.609 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.796 -6.733 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.488 -7.760 -1.888 1.00 0.00 H new ATOM 1479 N VAL A 111 -19.247 -5.065 -1.520 1.00 0.00 N ATOM 1480 CA VAL A 111 -18.443 -3.967 -2.048 1.00 0.00 C ATOM 1481 C VAL A 111 -16.981 -4.131 -1.652 1.00 0.00 C ATOM 1482 O VAL A 111 -16.654 -4.165 -0.467 1.00 0.00 O ATOM 1483 CB VAL A 111 -18.940 -2.604 -1.549 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.407 -1.486 -2.430 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.458 -2.571 -1.491 1.00 0.00 C ATOM 0 H VAL A 111 -19.034 -5.314 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.540 -4.000 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 111 -18.562 -2.451 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.770 -0.527 -2.060 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.317 -1.494 -2.409 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.751 -1.634 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -20.787 -1.595 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -20.864 -2.750 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -20.813 -3.345 -0.810 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.106 -4.234 -2.646 1.00 0.00 N ATOM 1496 CA LEU A 112 -14.682 -4.412 -2.388 1.00 0.00 C ATOM 1497 C LEU A 112 -14.010 -3.092 -2.038 1.00 0.00 C ATOM 1498 O LEU A 112 -14.122 -2.110 -2.772 1.00 0.00 O ATOM 1499 CB LEU A 112 -13.988 -5.030 -3.606 1.00 0.00 C ATOM 1500 CG LEU A 112 -12.454 -5.023 -3.553 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -11.871 -5.596 -4.836 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -11.961 -5.804 -2.345 1.00 0.00 C ATOM 0 H LEU A 112 -16.356 -4.198 -3.634 1.00 0.00 H new ATOM 0 HA LEU A 112 -14.588 -5.085 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.328 -6.060 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.308 -4.493 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.117 -3.991 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.783 -5.582 -4.779 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.215 -6.622 -4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.197 -4.994 -5.684 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.871 -5.789 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -12.349 -5.348 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -12.309 -6.835 -2.412 1.00 0.00 H new ATOM 1514 N CYS A 113 -13.281 -3.087 -0.928 1.00 0.00 N ATOM 1515 CA CYS A 113 -12.527 -1.915 -0.519 1.00 0.00 C ATOM 1516 C CYS A 113 -11.110 -2.014 -1.063 1.00 0.00 C ATOM 1517 O CYS A 113 -10.294 -2.783 -0.552 1.00 0.00 O ATOM 1518 CB CYS A 113 -12.494 -1.800 1.002 1.00 0.00 C ATOM 1519 SG CYS A 113 -11.359 -0.520 1.634 1.00 0.00 S ATOM 0 H CYS A 113 -13.198 -3.884 -0.297 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.012 -1.025 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -13.501 -1.585 1.360 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -12.205 -2.764 1.421 1.00 0.00 H new ATOM 1524 N SER A 114 -10.839 -1.280 -2.131 1.00 0.00 N ATOM 1525 CA SER A 114 -9.531 -1.325 -2.768 1.00 0.00 C ATOM 1526 C SER A 114 -9.129 0.040 -3.308 1.00 0.00 C ATOM 1527 O SER A 114 -9.964 0.930 -3.471 1.00 0.00 O ATOM 1528 CB SER A 114 -9.536 -2.353 -3.903 1.00 0.00 C ATOM 1529 OG SER A 114 -9.905 -1.755 -5.133 1.00 0.00 O ATOM 0 H SER A 114 -11.505 -0.647 -2.574 1.00 0.00 H new ATOM 0 HA SER A 114 -8.801 -1.619 -2.014 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.547 -2.801 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.230 -3.159 -3.664 1.00 0.00 H new ATOM 0 HG SER A 114 -9.899 -2.433 -5.841 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.839 0.195 -3.583 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.331 1.450 -4.108 1.00 0.00 C ATOM 1537 C GLY A 115 -7.839 2.656 -3.341 1.00 0.00 C ATOM 1538 O GLY A 115 -7.967 3.745 -3.899 1.00 0.00 O ATOM 0 H GLY A 115 -7.133 -0.529 -3.451 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.242 1.437 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.618 1.544 -5.155 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.125 2.463 -2.058 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.633 3.550 -1.242 1.00 0.00 C ATOM 1544 C GLY A 116 -10.049 3.942 -1.618 1.00 0.00 C ATOM 1545 O GLY A 116 -10.522 5.016 -1.247 1.00 0.00 O ATOM 0 H GLY A 116 -8.014 1.575 -1.569 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.607 3.256 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.979 4.416 -1.347 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.726 3.070 -2.359 1.00 0.00 N ATOM 1550 CA GLU A 117 -12.095 3.325 -2.783 1.00 0.00 C ATOM 1551 C GLU A 117 -12.920 2.046 -2.733 1.00 0.00 C ATOM 1552 O GLU A 117 -12.424 0.989 -2.341 1.00 0.00 O ATOM 1553 CB GLU A 117 -12.115 3.901 -4.198 1.00 0.00 C ATOM 1554 CG GLU A 117 -11.688 2.907 -5.264 1.00 0.00 C ATOM 1555 CD GLU A 117 -11.576 3.537 -6.638 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -12.115 2.956 -7.604 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -10.950 4.612 -6.750 1.00 0.00 O ATOM 0 H GLU A 117 -10.346 2.179 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.534 4.051 -2.098 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -13.121 4.254 -4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.457 4.769 -4.238 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.727 2.474 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.407 2.089 -5.301 1.00 0.00 H new ATOM 1564 N TRP A 118 -14.177 2.146 -3.143 1.00 0.00 N ATOM 1565 CA TRP A 118 -15.074 1.004 -3.132 1.00 0.00 C ATOM 1566 C TRP A 118 -15.526 0.648 -4.544 1.00 0.00 C ATOM 1567 O TRP A 118 -15.756 1.529 -5.373 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.280 1.311 -2.253 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.933 1.426 -0.802 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.587 2.564 -0.131 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -15.877 0.363 0.154 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.333 2.274 1.187 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -15.502 0.929 1.385 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.112 -1.013 0.089 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -15.357 0.169 2.541 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -15.967 -1.767 1.238 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -15.598 -1.173 2.451 1.00 0.00 C ATOM 0 H TRP A 118 -14.597 3.009 -3.488 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.539 0.146 -2.726 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.738 2.243 -2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -17.025 0.526 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.523 3.548 -0.572 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.063 2.950 1.902 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -16.401 -1.478 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -15.064 0.623 3.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -16.141 -2.832 1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -15.502 -1.788 3.334 1.00 0.00 H new ATOM 1588 N SER A 119 -15.644 -0.648 -4.813 1.00 0.00 N ATOM 1589 CA SER A 119 -16.052 -1.119 -6.131 1.00 0.00 C ATOM 1590 C SER A 119 -17.264 -2.040 -6.038 1.00 0.00 C ATOM 1591 O SER A 119 -17.451 -2.743 -5.045 1.00 0.00 O ATOM 1592 CB SER A 119 -14.893 -1.853 -6.809 1.00 0.00 C ATOM 1593 OG SER A 119 -13.786 -1.978 -5.934 1.00 0.00 O ATOM 0 H SER A 119 -15.463 -1.390 -4.137 1.00 0.00 H new ATOM 0 HA SER A 119 -16.329 -0.250 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 119 -15.222 -2.842 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 119 -14.592 -1.313 -7.706 1.00 0.00 H new ATOM 0 HG SER A 119 -13.060 -2.452 -6.391 1.00 0.00 H new ATOM 1599 N ASP A 120 -18.079 -2.032 -7.088 1.00 0.00 N ATOM 1600 CA ASP A 120 -19.270 -2.872 -7.148 1.00 0.00 C ATOM 1601 C ASP A 120 -20.351 -2.405 -6.173 1.00 0.00 C ATOM 1602 O ASP A 120 -20.960 -3.220 -5.480 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.900 -4.323 -6.850 1.00 0.00 C ATOM 1604 CG ASP A 120 -19.686 -5.307 -7.695 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -20.021 -6.395 -7.181 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -19.966 -4.989 -8.870 1.00 0.00 O ATOM 0 H ASP A 120 -17.935 -1.450 -7.913 1.00 0.00 H new ATOM 0 HA ASP A 120 -19.676 -2.792 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -17.834 -4.467 -7.027 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -19.079 -4.531 -5.795 1.00 0.00 H new ATOM 1611 N PRO A 121 -20.633 -1.090 -6.127 1.00 0.00 N ATOM 1612 CA PRO A 121 -21.667 -0.539 -5.250 1.00 0.00 C ATOM 1613 C PRO A 121 -23.070 -0.759 -5.817 1.00 0.00 C ATOM 1614 O PRO A 121 -23.306 -0.531 -7.004 1.00 0.00 O ATOM 1615 CB PRO A 121 -21.332 0.949 -5.212 1.00 0.00 C ATOM 1616 CG PRO A 121 -20.705 1.220 -6.537 1.00 0.00 C ATOM 1617 CD PRO A 121 -19.971 -0.039 -6.923 1.00 0.00 C ATOM 0 HA PRO A 121 -21.676 -1.012 -4.268 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -22.226 1.554 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -20.650 1.182 -4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -21.461 1.473 -7.280 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.021 2.066 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -20.051 -0.237 -7.992 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.908 0.030 -6.690 1.00 0.00 H new ATOM 1625 N PRO A 122 -24.022 -1.206 -4.981 1.00 0.00 N ATOM 1626 CA PRO A 122 -25.385 -1.479 -5.417 1.00 0.00 C ATOM 1627 C PRO A 122 -26.302 -0.272 -5.324 1.00 0.00 C ATOM 1628 O PRO A 122 -25.871 0.841 -5.024 1.00 0.00 O ATOM 1629 CB PRO A 122 -25.848 -2.551 -4.439 1.00 0.00 C ATOM 1630 CG PRO A 122 -25.073 -2.303 -3.185 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.834 -1.524 -3.557 1.00 0.00 C ATOM 0 HA PRO A 122 -25.414 -1.770 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -26.921 -2.482 -4.258 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -25.654 -3.550 -4.830 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.675 -1.745 -2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.803 -3.246 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.737 -0.620 -2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.930 -2.112 -3.396 1.00 0.00 H new ATOM 1639 N THR A 123 -27.576 -0.523 -5.575 1.00 0.00 N ATOM 1640 CA THR A 123 -28.602 0.508 -5.500 1.00 0.00 C ATOM 1641 C THR A 123 -29.781 0.008 -4.682 1.00 0.00 C ATOM 1642 O THR A 123 -29.654 -0.948 -3.919 1.00 0.00 O ATOM 1643 CB THR A 123 -29.069 0.902 -6.904 1.00 0.00 C ATOM 1644 OG1 THR A 123 -28.197 0.373 -7.888 1.00 0.00 O ATOM 1645 CG2 THR A 123 -29.146 2.399 -7.112 1.00 0.00 C ATOM 0 H THR A 123 -27.929 -1.444 -5.836 1.00 0.00 H new ATOM 0 HA THR A 123 -28.178 1.387 -5.015 1.00 0.00 H new ATOM 0 HB THR A 123 -30.073 0.488 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 123 -28.512 0.634 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 123 -29.483 2.608 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 123 -29.850 2.830 -6.400 1.00 0.00 H new ATOM 0 HG23 THR A 123 -28.160 2.839 -6.959 1.00 0.00 H new ATOM 1653 N CYS A 124 -30.928 0.649 -4.846 1.00 0.00 N ATOM 1654 CA CYS A 124 -32.125 0.241 -4.129 1.00 0.00 C ATOM 1655 C CYS A 124 -33.377 0.625 -4.899 1.00 0.00 C ATOM 1656 O CYS A 124 -33.908 1.724 -4.743 1.00 0.00 O ATOM 1657 CB CYS A 124 -32.154 0.863 -2.733 1.00 0.00 C ATOM 1658 SG CYS A 124 -31.215 -0.075 -1.485 1.00 0.00 S ATOM 0 H CYS A 124 -31.055 1.449 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 124 -32.102 -0.844 -4.029 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -31.754 1.875 -2.789 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -33.190 0.948 -2.405 1.00 0.00 H new ATOM 1663 N GLN A 125 -33.841 -0.294 -5.734 1.00 0.00 N ATOM 1664 CA GLN A 125 -35.031 -0.068 -6.531 1.00 0.00 C ATOM 1665 C GLN A 125 -36.075 -1.138 -6.250 1.00 0.00 C ATOM 1666 O GLN A 125 -35.753 -2.229 -5.780 1.00 0.00 O ATOM 1667 CB GLN A 125 -34.676 -0.063 -8.016 1.00 0.00 C ATOM 1668 CG GLN A 125 -34.179 1.284 -8.513 1.00 0.00 C ATOM 1669 CD GLN A 125 -33.142 1.156 -9.611 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -33.458 0.780 -10.739 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -31.893 1.471 -9.285 1.00 0.00 N ATOM 0 H GLN A 125 -33.407 -1.206 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 125 -35.447 0.903 -6.261 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -33.910 -0.816 -8.201 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -35.554 -0.353 -8.593 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -35.024 1.865 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -33.752 1.840 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -31.675 1.778 -8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -31.152 1.405 -9.983 1.00 0.00 H new ATOM 1680 N ILE A 126 -37.325 -0.815 -6.537 1.00 0.00 N ATOM 1681 CA ILE A 126 -38.422 -1.745 -6.314 1.00 0.00 C ATOM 1682 C ILE A 126 -38.622 -2.651 -7.523 1.00 0.00 C ATOM 1683 O ILE A 126 -39.676 -2.634 -8.160 1.00 0.00 O ATOM 1684 CB ILE A 126 -39.735 -1.004 -6.008 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -39.553 -0.082 -4.803 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -40.858 -1.997 -5.757 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -39.400 -0.823 -3.492 1.00 0.00 C ATOM 0 H ILE A 126 -37.607 0.085 -6.925 1.00 0.00 H new ATOM 0 HA ILE A 126 -38.155 -2.353 -5.450 1.00 0.00 H new ATOM 0 HB ILE A 126 -40.003 -0.396 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -38.674 0.542 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -40.411 0.587 -4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -41.780 -1.457 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -40.999 -2.618 -6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -40.601 -2.629 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -39.275 -0.106 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -40.289 -1.426 -3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -38.525 -1.472 -3.541 1.00 0.00 H new TER 1699 ILE A 126