USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 862 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 67 THR OG1 : rot 180:sc= 0.0745 USER MOD Set 1.2: A 69 SER OG : rot 45:sc= 0.00455 USER MOD Set 2.1: A 52 THR OG1 : rot 153:sc= -0.731 USER MOD Set 2.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 51 LYS NZ :NH3+ -175:sc= 0.228 (180deg=0.165) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.0381 USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= -0.417 USER MOD Set 4.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 27:sc= 0.692 USER MOD Single : A 9 MET CE :methyl -141:sc= -0.15 (180deg=-2.37) USER MOD Single : A 10 MET CE :methyl 142:sc= -0.142 (180deg=-1.64!) USER MOD Single : A 16 GLN : amide:sc= -0.633 X(o=-0.63,f=-0.63) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00509 USER MOD Single : A 22 HIS : no HD1:sc= 0.0368 K(o=0.037,f=-2.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.13) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-5.6!) USER MOD Single : A 38 GLN : amide:sc= -0.303 X(o=-0.3,f=-0.0037) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0251 X(o=-0.025,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.085 K(o=-0.085,f=-1.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.8 K(o=-1.8,f=-3.4!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 66 THR OG1 : rot 21:sc= 1.09 USER MOD Single : A 70 TYR OH : rot 165:sc= 0.00989 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.46) USER MOD Single : A 79 THR OG1 : rot 80:sc= 1.27 USER MOD Single : A 81 TYR OH : rot 30:sc= 0 USER MOD Single : A 84 SER OG : rot 76:sc= 0.0144 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 82:sc= 0.309 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.236 USER MOD Single : A 97 SER OG : rot -94:sc= -1.53! USER MOD Single : A 98 MET CE :methyl -129:sc= -0.0605 (180deg=-0.45) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.017) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.267 USER MOD Single : A 104 THR OG1 : rot 165:sc= 0.413 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.184 -3.433 18.035 1.00 0.00 N ATOM 2 CA GLY A 1 3.073 -4.576 18.120 1.00 0.00 C ATOM 3 C GLY A 1 3.999 -4.503 19.318 1.00 0.00 C ATOM 4 O GLY A 1 4.735 -3.530 19.484 1.00 0.00 O ATOM 0 H1 GLY A 1 1.572 -3.531 17.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.596 -3.386 18.892 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.746 -2.562 17.953 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.481 -5.489 18.178 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.667 -4.638 17.209 1.00 0.00 H new ATOM 8 N SER A 2 3.962 -5.533 20.157 1.00 0.00 N ATOM 9 CA SER A 2 4.800 -5.579 21.349 1.00 0.00 C ATOM 10 C SER A 2 6.231 -5.162 21.024 1.00 0.00 C ATOM 11 O SER A 2 6.785 -5.552 19.996 1.00 0.00 O ATOM 12 CB SER A 2 4.791 -6.986 21.951 1.00 0.00 C ATOM 13 OG SER A 2 5.152 -7.956 20.983 1.00 0.00 O ATOM 0 H SER A 2 3.360 -6.347 20.033 1.00 0.00 H new ATOM 0 HA SER A 2 4.392 -4.877 22.077 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.484 -7.030 22.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.799 -7.211 22.344 1.00 0.00 H new ATOM 0 HG SER A 2 5.141 -8.846 21.392 1.00 0.00 H new ATOM 19 N SER A 3 6.824 -4.366 21.908 1.00 0.00 N ATOM 20 CA SER A 3 8.189 -3.891 21.714 1.00 0.00 C ATOM 21 C SER A 3 9.196 -4.997 22.014 1.00 0.00 C ATOM 22 O SER A 3 9.119 -5.659 23.048 1.00 0.00 O ATOM 23 CB SER A 3 8.462 -2.680 22.608 1.00 0.00 C ATOM 24 OG SER A 3 9.446 -1.836 22.036 1.00 0.00 O ATOM 0 H SER A 3 6.381 -4.036 22.765 1.00 0.00 H new ATOM 0 HA SER A 3 8.300 -3.595 20.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.539 -2.119 22.758 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.793 -3.016 23.590 1.00 0.00 H new ATOM 0 HG SER A 3 9.601 -1.069 22.625 1.00 0.00 H new ATOM 30 N GLY A 4 10.143 -5.191 21.101 1.00 0.00 N ATOM 31 CA GLY A 4 11.152 -6.217 21.285 1.00 0.00 C ATOM 32 C GLY A 4 12.554 -5.645 21.354 1.00 0.00 C ATOM 33 O GLY A 4 12.752 -4.444 21.173 1.00 0.00 O ATOM 0 H GLY A 4 10.229 -4.656 20.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.942 -6.768 22.202 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.094 -6.931 20.463 1.00 0.00 H new ATOM 37 N SER A 5 13.531 -6.507 21.619 1.00 0.00 N ATOM 38 CA SER A 5 14.922 -6.080 21.717 1.00 0.00 C ATOM 39 C SER A 5 15.468 -5.688 20.348 1.00 0.00 C ATOM 40 O SER A 5 15.827 -4.533 20.118 1.00 0.00 O ATOM 41 CB SER A 5 15.778 -7.195 22.320 1.00 0.00 C ATOM 42 OG SER A 5 16.881 -6.662 23.034 1.00 0.00 O ATOM 0 H SER A 5 13.385 -7.505 21.770 1.00 0.00 H new ATOM 0 HA SER A 5 14.963 -5.207 22.368 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.169 -7.805 22.987 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.137 -7.851 21.527 1.00 0.00 H new ATOM 0 HG SER A 5 17.411 -7.395 23.411 1.00 0.00 H new ATOM 48 N SER A 6 15.527 -6.659 19.441 1.00 0.00 N ATOM 49 CA SER A 6 16.033 -6.417 18.095 1.00 0.00 C ATOM 50 C SER A 6 14.911 -6.523 17.066 1.00 0.00 C ATOM 51 O SER A 6 14.339 -7.593 16.863 1.00 0.00 O ATOM 52 CB SER A 6 17.144 -7.414 17.759 1.00 0.00 C ATOM 53 OG SER A 6 16.647 -8.740 17.727 1.00 0.00 O ATOM 0 H SER A 6 15.231 -7.620 19.614 1.00 0.00 H new ATOM 0 HA SER A 6 16.439 -5.406 18.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.582 -7.163 16.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.941 -7.339 18.499 1.00 0.00 H new ATOM 0 HG SER A 6 15.693 -8.727 17.502 1.00 0.00 H new ATOM 59 N GLY A 7 14.602 -5.403 16.420 1.00 0.00 N ATOM 60 CA GLY A 7 13.550 -5.390 15.420 1.00 0.00 C ATOM 61 C GLY A 7 14.021 -4.835 14.090 1.00 0.00 C ATOM 62 O GLY A 7 14.859 -3.935 14.031 1.00 0.00 O ATOM 0 H GLY A 7 15.061 -4.505 16.571 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.178 -6.404 15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.714 -4.792 15.784 1.00 0.00 H new ATOM 66 N PRO A 8 13.477 -5.379 12.992 1.00 0.00 N ATOM 67 CA PRO A 8 13.833 -4.949 11.636 1.00 0.00 C ATOM 68 C PRO A 8 13.317 -3.549 11.318 1.00 0.00 C ATOM 69 O PRO A 8 12.699 -2.899 12.161 1.00 0.00 O ATOM 70 CB PRO A 8 13.148 -5.987 10.744 1.00 0.00 C ATOM 71 CG PRO A 8 12.009 -6.494 11.558 1.00 0.00 C ATOM 72 CD PRO A 8 12.472 -6.455 12.988 1.00 0.00 C ATOM 0 HA PRO A 8 14.912 -4.893 11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.801 -5.541 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.832 -6.792 10.476 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.123 -5.875 11.418 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.739 -7.508 11.263 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.650 -6.240 13.671 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.902 -7.408 13.297 1.00 0.00 H new ATOM 80 N MET A 9 13.574 -3.093 10.097 1.00 0.00 N ATOM 81 CA MET A 9 13.134 -1.770 9.668 1.00 0.00 C ATOM 82 C MET A 9 11.697 -1.507 10.107 1.00 0.00 C ATOM 83 O MET A 9 10.857 -2.405 10.084 1.00 0.00 O ATOM 84 CB MET A 9 13.247 -1.640 8.147 1.00 0.00 C ATOM 85 CG MET A 9 14.669 -1.409 7.661 1.00 0.00 C ATOM 86 SD MET A 9 15.115 0.337 7.624 1.00 0.00 S ATOM 87 CE MET A 9 14.212 0.887 6.179 1.00 0.00 C ATOM 0 H MET A 9 14.084 -3.619 9.387 1.00 0.00 H new ATOM 0 HA MET A 9 13.781 -1.029 10.138 1.00 0.00 H new ATOM 0 HB2 MET A 9 12.856 -2.545 7.683 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.619 -0.814 7.813 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.362 -1.943 8.311 1.00 0.00 H new ATOM 0 HG3 MET A 9 14.780 -1.830 6.662 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.818 1.601 5.621 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.984 0.030 5.545 1.00 0.00 H new ATOM 0 HE3 MET A 9 13.283 1.365 6.490 1.00 0.00 H new ATOM 97 N MET A 10 11.423 -0.269 10.506 1.00 0.00 N ATOM 98 CA MET A 10 10.086 0.112 10.949 1.00 0.00 C ATOM 99 C MET A 10 9.226 0.549 9.768 1.00 0.00 C ATOM 100 O MET A 10 9.551 1.494 9.048 1.00 0.00 O ATOM 101 CB MET A 10 10.170 1.239 11.980 1.00 0.00 C ATOM 102 CG MET A 10 10.985 0.878 13.211 1.00 0.00 C ATOM 103 SD MET A 10 12.762 0.934 12.909 1.00 0.00 S ATOM 104 CE MET A 10 13.324 -0.414 13.945 1.00 0.00 C ATOM 0 H MET A 10 12.108 0.487 10.532 1.00 0.00 H new ATOM 0 HA MET A 10 9.621 -0.759 11.411 1.00 0.00 H new ATOM 0 HB2 MET A 10 10.609 2.119 11.509 1.00 0.00 H new ATOM 0 HB3 MET A 10 9.161 1.513 12.290 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.736 1.564 14.021 1.00 0.00 H new ATOM 0 HG3 MET A 10 10.708 -0.122 13.545 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.132 -0.946 13.443 1.00 0.00 H new ATOM 0 HE2 MET A 10 13.685 -0.017 14.894 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.497 -1.100 14.129 1.00 0.00 H new ATOM 114 N PRO A 11 8.101 -0.152 9.562 1.00 0.00 N ATOM 115 CA PRO A 11 7.172 0.147 8.469 1.00 0.00 C ATOM 116 C PRO A 11 6.429 1.461 8.682 1.00 0.00 C ATOM 117 O PRO A 11 6.429 2.032 9.773 1.00 0.00 O ATOM 118 CB PRO A 11 6.194 -1.031 8.502 1.00 0.00 C ATOM 119 CG PRO A 11 6.243 -1.523 9.908 1.00 0.00 C ATOM 120 CD PRO A 11 7.651 -1.290 10.380 1.00 0.00 C ATOM 0 HA PRO A 11 7.689 0.264 7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.187 -0.718 8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.489 -1.810 7.799 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.528 -0.988 10.534 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.984 -2.580 9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.685 -1.058 11.444 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.277 -2.169 10.225 1.00 0.00 H new ATOM 128 N PRO A 12 5.779 1.955 7.618 1.00 0.00 N ATOM 129 CA PRO A 12 5.020 3.208 7.664 1.00 0.00 C ATOM 130 C PRO A 12 3.752 3.086 8.504 1.00 0.00 C ATOM 131 O PRO A 12 3.451 2.019 9.040 1.00 0.00 O ATOM 132 CB PRO A 12 4.667 3.464 6.197 1.00 0.00 C ATOM 133 CG PRO A 12 4.678 2.115 5.564 1.00 0.00 C ATOM 134 CD PRO A 12 5.737 1.328 6.286 1.00 0.00 C ATOM 0 HA PRO A 12 5.591 4.014 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.690 3.938 6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.391 4.128 5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.704 1.634 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.901 2.185 4.499 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.480 0.271 6.348 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.701 1.393 5.781 1.00 0.00 H new ATOM 142 N VAL A 13 3.013 4.185 8.613 1.00 0.00 N ATOM 143 CA VAL A 13 1.776 4.200 9.386 1.00 0.00 C ATOM 144 C VAL A 13 0.704 5.032 8.692 1.00 0.00 C ATOM 145 O VAL A 13 0.908 5.527 7.584 1.00 0.00 O ATOM 146 CB VAL A 13 2.007 4.760 10.803 1.00 0.00 C ATOM 147 CG1 VAL A 13 2.929 3.845 11.595 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.573 6.170 10.732 1.00 0.00 C ATOM 0 H VAL A 13 3.249 5.076 8.176 1.00 0.00 H new ATOM 0 HA VAL A 13 1.437 3.167 9.462 1.00 0.00 H new ATOM 0 HB VAL A 13 1.048 4.804 11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.081 4.257 12.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.479 2.856 11.675 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.889 3.766 11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.730 6.550 11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.523 6.154 10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.872 6.817 10.205 1.00 0.00 H new ATOM 158 N GLY A 14 -0.440 5.184 9.352 1.00 0.00 N ATOM 159 CA GLY A 14 -1.528 5.957 8.782 1.00 0.00 C ATOM 160 C GLY A 14 -1.893 5.502 7.383 1.00 0.00 C ATOM 161 O GLY A 14 -2.362 6.295 6.567 1.00 0.00 O ATOM 0 H GLY A 14 -0.633 4.786 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.403 5.876 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.247 7.010 8.756 1.00 0.00 H new ATOM 165 N VAL A 15 -1.676 4.220 7.104 1.00 0.00 N ATOM 166 CA VAL A 15 -1.985 3.661 5.794 1.00 0.00 C ATOM 167 C VAL A 15 -3.491 3.597 5.564 1.00 0.00 C ATOM 168 O VAL A 15 -4.176 2.736 6.115 1.00 0.00 O ATOM 169 CB VAL A 15 -1.392 2.248 5.633 1.00 0.00 C ATOM 170 CG1 VAL A 15 -1.662 1.711 4.236 1.00 0.00 C ATOM 171 CG2 VAL A 15 0.100 2.260 5.929 1.00 0.00 C ATOM 0 H VAL A 15 -1.288 3.550 7.768 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.535 4.323 5.054 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.877 1.586 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.236 0.712 4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.738 1.664 4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.206 2.371 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.503 1.254 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.603 2.936 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.265 2.599 6.952 1.00 0.00 H new ATOM 181 N GLN A 16 -3.999 4.514 4.747 1.00 0.00 N ATOM 182 CA GLN A 16 -5.424 4.561 4.445 1.00 0.00 C ATOM 183 C GLN A 16 -5.661 4.591 2.939 1.00 0.00 C ATOM 184 O GLN A 16 -4.730 4.788 2.158 1.00 0.00 O ATOM 185 CB GLN A 16 -6.065 5.787 5.098 1.00 0.00 C ATOM 186 CG GLN A 16 -6.523 5.545 6.527 1.00 0.00 C ATOM 187 CD GLN A 16 -7.255 4.227 6.691 1.00 0.00 C ATOM 188 OE1 GLN A 16 -6.902 3.409 7.541 1.00 0.00 O ATOM 189 NE2 GLN A 16 -8.281 4.015 5.875 1.00 0.00 N ATOM 0 H GLN A 16 -3.445 5.234 4.283 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.885 3.660 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.349 6.609 5.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.920 6.102 4.500 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.657 5.560 7.189 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.176 6.360 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.538 4.721 5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.812 3.146 5.938 1.00 0.00 H new ATOM 198 N ALA A 17 -6.912 4.394 2.537 1.00 0.00 N ATOM 199 CA ALA A 17 -7.271 4.400 1.125 1.00 0.00 C ATOM 200 C ALA A 17 -8.340 5.448 0.834 1.00 0.00 C ATOM 201 O ALA A 17 -9.298 5.598 1.593 1.00 0.00 O ATOM 202 CB ALA A 17 -7.751 3.021 0.696 1.00 0.00 C ATOM 0 H ALA A 17 -7.694 4.228 3.170 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.381 4.658 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.016 3.041 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.956 2.293 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.625 2.741 1.284 1.00 0.00 H new ATOM 208 N SER A 18 -8.169 6.172 -0.268 1.00 0.00 N ATOM 209 CA SER A 18 -9.118 7.209 -0.656 1.00 0.00 C ATOM 210 C SER A 18 -9.923 6.780 -1.878 1.00 0.00 C ATOM 211 O SER A 18 -9.402 6.735 -2.993 1.00 0.00 O ATOM 212 CB SER A 18 -8.382 8.518 -0.949 1.00 0.00 C ATOM 213 OG SER A 18 -9.231 9.636 -0.754 1.00 0.00 O ATOM 0 H SER A 18 -7.382 6.059 -0.907 1.00 0.00 H new ATOM 0 HA SER A 18 -9.807 7.365 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.510 8.602 -0.300 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.015 8.511 -1.975 1.00 0.00 H new ATOM 0 HG SER A 18 -8.736 10.460 -0.946 1.00 0.00 H new ATOM 219 N ILE A 19 -11.195 6.466 -1.660 1.00 0.00 N ATOM 220 CA ILE A 19 -12.073 6.041 -2.744 1.00 0.00 C ATOM 221 C ILE A 19 -12.492 7.225 -3.608 1.00 0.00 C ATOM 222 O ILE A 19 -13.408 7.970 -3.258 1.00 0.00 O ATOM 223 CB ILE A 19 -13.334 5.341 -2.205 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.950 4.239 -1.216 1.00 0.00 C ATOM 225 CG2 ILE A 19 -14.154 4.769 -3.352 1.00 0.00 C ATOM 226 CD1 ILE A 19 -11.939 3.258 -1.768 1.00 0.00 C ATOM 0 H ILE A 19 -11.641 6.498 -0.743 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.507 5.334 -3.351 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.943 6.077 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.545 4.697 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.848 3.696 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -15.042 4.277 -2.955 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.454 5.575 -4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.554 4.044 -3.902 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.713 2.505 -1.013 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.349 2.773 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.025 3.789 -2.035 1.00 0.00 H new ATOM 238 N LEU A 20 -11.817 7.393 -4.740 1.00 0.00 N ATOM 239 CA LEU A 20 -12.120 8.486 -5.657 1.00 0.00 C ATOM 240 C LEU A 20 -13.037 8.015 -6.781 1.00 0.00 C ATOM 241 O LEU A 20 -13.947 8.734 -7.196 1.00 0.00 O ATOM 242 CB LEU A 20 -10.828 9.058 -6.244 1.00 0.00 C ATOM 243 CG LEU A 20 -9.719 9.377 -5.241 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.419 9.692 -5.964 1.00 0.00 C ATOM 245 CD2 LEU A 20 -10.127 10.537 -4.344 1.00 0.00 C ATOM 0 H LEU A 20 -11.056 6.786 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.634 9.266 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.438 8.348 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.072 9.971 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.559 8.499 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.642 9.916 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.118 8.832 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.565 10.554 -6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.325 10.750 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.316 11.420 -4.954 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.032 10.273 -3.797 1.00 0.00 H new ATOM 257 N SER A 21 -12.793 6.803 -7.269 1.00 0.00 N ATOM 258 CA SER A 21 -13.596 6.236 -8.346 1.00 0.00 C ATOM 259 C SER A 21 -13.747 4.728 -8.176 1.00 0.00 C ATOM 260 O SER A 21 -13.273 4.151 -7.196 1.00 0.00 O ATOM 261 CB SER A 21 -12.961 6.547 -9.702 1.00 0.00 C ATOM 262 OG SER A 21 -12.709 7.934 -9.842 1.00 0.00 O ATOM 0 H SER A 21 -12.045 6.195 -6.935 1.00 0.00 H new ATOM 0 HA SER A 21 -14.586 6.689 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.028 5.993 -9.806 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.622 6.212 -10.502 1.00 0.00 H new ATOM 0 HG SER A 21 -12.302 8.106 -10.717 1.00 0.00 H new ATOM 268 N HIS A 22 -14.411 4.093 -9.137 1.00 0.00 N ATOM 269 CA HIS A 22 -14.625 2.651 -9.095 1.00 0.00 C ATOM 270 C HIS A 22 -13.303 1.902 -9.237 1.00 0.00 C ATOM 271 O HIS A 22 -13.137 0.809 -8.695 1.00 0.00 O ATOM 272 CB HIS A 22 -15.588 2.224 -10.203 1.00 0.00 C ATOM 273 CG HIS A 22 -15.173 2.684 -11.567 1.00 0.00 C ATOM 274 ND1 HIS A 22 -15.294 3.992 -11.989 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.636 2.003 -12.605 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.850 4.094 -13.229 1.00 0.00 C ATOM 277 NE2 HIS A 22 -14.444 2.902 -13.626 1.00 0.00 N ATOM 0 H HIS A 22 -14.810 4.555 -9.954 1.00 0.00 H new ATOM 0 HA HIS A 22 -15.062 2.401 -8.128 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.669 1.137 -10.204 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.580 2.617 -9.982 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.402 0.949 -12.627 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.824 4.999 -13.818 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -14.052 2.684 -14.542 1.00 0.00 H new ATOM 286 N ASP A 23 -12.368 2.496 -9.969 1.00 0.00 N ATOM 287 CA ASP A 23 -11.061 1.885 -10.182 1.00 0.00 C ATOM 288 C ASP A 23 -9.942 2.880 -9.889 1.00 0.00 C ATOM 289 O ASP A 23 -8.879 2.837 -10.511 1.00 0.00 O ATOM 290 CB ASP A 23 -10.941 1.373 -11.618 1.00 0.00 C ATOM 291 CG ASP A 23 -11.743 0.107 -11.849 1.00 0.00 C ATOM 292 OD1 ASP A 23 -12.356 -0.392 -10.882 1.00 0.00 O ATOM 293 OD2 ASP A 23 -11.758 -0.385 -12.997 1.00 0.00 O ATOM 0 H ASP A 23 -12.490 3.400 -10.425 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.965 1.044 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -11.282 2.146 -12.306 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.892 1.182 -11.847 1.00 0.00 H new ATOM 298 N THR A 24 -10.187 3.777 -8.939 1.00 0.00 N ATOM 299 CA THR A 24 -9.202 4.784 -8.565 1.00 0.00 C ATOM 300 C THR A 24 -9.146 4.964 -7.052 1.00 0.00 C ATOM 301 O THR A 24 -10.160 5.249 -6.414 1.00 0.00 O ATOM 302 CB THR A 24 -9.511 6.142 -9.221 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.818 5.958 -10.608 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.331 7.092 -9.080 1.00 0.00 C ATOM 0 H THR A 24 -11.060 3.826 -8.414 1.00 0.00 H new ATOM 0 HA THR A 24 -8.235 4.428 -8.921 1.00 0.00 H new ATOM 0 HB THR A 24 -10.371 6.578 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.015 6.826 -11.017 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.573 8.045 -9.551 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.118 7.253 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.456 6.659 -9.565 1.00 0.00 H new ATOM 312 N ILE A 25 -7.957 4.796 -6.485 1.00 0.00 N ATOM 313 CA ILE A 25 -7.770 4.942 -5.047 1.00 0.00 C ATOM 314 C ILE A 25 -6.391 5.509 -4.726 1.00 0.00 C ATOM 315 O ILE A 25 -5.390 5.104 -5.316 1.00 0.00 O ATOM 316 CB ILE A 25 -7.942 3.596 -4.317 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.318 3.000 -4.618 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.754 3.779 -2.818 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.504 1.602 -4.071 1.00 0.00 C ATOM 0 H ILE A 25 -7.109 4.559 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.535 5.636 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 25 -7.181 2.904 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.086 3.650 -4.199 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.469 2.982 -5.697 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.879 2.820 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.754 4.164 -2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.495 4.484 -2.442 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.502 1.243 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.759 0.938 -4.509 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.385 1.616 -2.988 1.00 0.00 H new ATOM 331 N ARG A 26 -6.347 6.447 -3.786 1.00 0.00 N ATOM 332 CA ARG A 26 -5.091 7.070 -3.386 1.00 0.00 C ATOM 333 C ARG A 26 -4.610 6.514 -2.049 1.00 0.00 C ATOM 334 O ARG A 26 -5.279 6.666 -1.026 1.00 0.00 O ATOM 335 CB ARG A 26 -5.257 8.588 -3.290 1.00 0.00 C ATOM 336 CG ARG A 26 -3.947 9.332 -3.090 1.00 0.00 C ATOM 337 CD ARG A 26 -4.129 10.833 -3.253 1.00 0.00 C ATOM 338 NE ARG A 26 -2.852 11.542 -3.260 1.00 0.00 N ATOM 339 CZ ARG A 26 -1.991 11.494 -4.271 1.00 0.00 C ATOM 340 NH1 ARG A 26 -2.270 10.777 -5.350 1.00 0.00 N ATOM 341 NH2 ARG A 26 -0.849 12.167 -4.203 1.00 0.00 N ATOM 0 H ARG A 26 -7.167 6.792 -3.287 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.343 6.841 -4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.736 8.951 -4.199 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.927 8.820 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.554 9.118 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.210 8.973 -3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.661 11.035 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.750 11.213 -2.442 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.608 12.104 -2.445 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.148 10.260 -5.406 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.607 10.742 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.632 12.721 -3.375 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.188 12.130 -4.979 1.00 0.00 H new ATOM 355 N ILE A 27 -3.448 5.870 -2.065 1.00 0.00 N ATOM 356 CA ILE A 27 -2.878 5.293 -0.854 1.00 0.00 C ATOM 357 C ILE A 27 -1.795 6.194 -0.272 1.00 0.00 C ATOM 358 O ILE A 27 -0.682 6.265 -0.796 1.00 0.00 O ATOM 359 CB ILE A 27 -2.281 3.898 -1.122 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.323 2.991 -1.780 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.776 3.281 0.173 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.507 2.686 -0.889 1.00 0.00 C ATOM 0 H ILE A 27 -2.883 5.735 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.693 5.199 -0.136 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.438 4.005 -1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.679 3.465 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.846 2.055 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.357 2.296 -0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.006 3.920 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.603 3.184 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.205 2.039 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.162 2.184 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.008 3.616 -0.619 1.00 0.00 H new ATOM 374 N THR A 28 -2.126 6.882 0.816 1.00 0.00 N ATOM 375 CA THR A 28 -1.182 7.779 1.470 1.00 0.00 C ATOM 376 C THR A 28 -0.765 7.239 2.834 1.00 0.00 C ATOM 377 O THR A 28 -1.584 6.686 3.569 1.00 0.00 O ATOM 378 CB THR A 28 -1.777 9.188 1.649 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.935 9.128 2.488 1.00 0.00 O ATOM 380 CG2 THR A 28 -2.150 9.792 0.303 1.00 0.00 C ATOM 0 H THR A 28 -3.042 6.835 1.263 1.00 0.00 H new ATOM 0 HA THR A 28 -0.307 7.842 0.824 1.00 0.00 H new ATOM 0 HB THR A 28 -1.023 9.820 2.117 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.306 10.028 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.568 10.787 0.454 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.260 9.863 -0.323 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.889 9.159 -0.188 1.00 0.00 H new ATOM 388 N TRP A 29 0.510 7.403 3.165 1.00 0.00 N ATOM 389 CA TRP A 29 1.034 6.932 4.442 1.00 0.00 C ATOM 390 C TRP A 29 2.089 7.890 4.984 1.00 0.00 C ATOM 391 O TRP A 29 2.425 8.885 4.342 1.00 0.00 O ATOM 392 CB TRP A 29 1.631 5.532 4.287 1.00 0.00 C ATOM 393 CG TRP A 29 2.767 5.475 3.312 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.094 5.639 3.590 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.676 5.241 1.902 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.834 5.520 2.438 1.00 0.00 N ATOM 397 CE2 TRP A 29 3.988 5.275 1.389 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.615 5.003 1.025 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.263 5.081 0.038 1.00 0.00 C ATOM 400 CZ3 TRP A 29 1.890 4.812 -0.316 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.205 4.851 -0.799 1.00 0.00 C ATOM 0 H TRP A 29 1.200 7.858 2.568 1.00 0.00 H new ATOM 0 HA TRP A 29 0.208 6.891 5.152 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.979 5.183 5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.849 4.845 3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.502 5.834 4.571 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.849 5.601 2.374 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.598 4.969 1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.276 5.111 -0.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.077 4.630 -1.004 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.387 4.697 -1.852 1.00 0.00 H new ATOM 412 N ALA A 30 2.609 7.584 6.168 1.00 0.00 N ATOM 413 CA ALA A 30 3.627 8.417 6.795 1.00 0.00 C ATOM 414 C ALA A 30 4.696 7.564 7.469 1.00 0.00 C ATOM 415 O ALA A 30 4.413 6.473 7.964 1.00 0.00 O ATOM 416 CB ALA A 30 2.990 9.362 7.803 1.00 0.00 C ATOM 0 H ALA A 30 2.341 6.764 6.713 1.00 0.00 H new ATOM 0 HA ALA A 30 4.108 9.007 6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.763 9.978 8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.269 10.003 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.481 8.783 8.573 1.00 0.00 H new ATOM 422 N ASP A 31 5.926 8.067 7.483 1.00 0.00 N ATOM 423 CA ASP A 31 7.038 7.351 8.097 1.00 0.00 C ATOM 424 C ASP A 31 7.640 8.160 9.241 1.00 0.00 C ATOM 425 O ASP A 31 8.487 9.026 9.023 1.00 0.00 O ATOM 426 CB ASP A 31 8.112 7.043 7.053 1.00 0.00 C ATOM 427 CG ASP A 31 9.112 6.011 7.538 1.00 0.00 C ATOM 428 OD1 ASP A 31 8.706 5.097 8.287 1.00 0.00 O ATOM 429 OD2 ASP A 31 10.300 6.118 7.169 1.00 0.00 O ATOM 0 H ASP A 31 6.178 8.968 7.076 1.00 0.00 H new ATOM 0 HA ASP A 31 6.656 6.414 8.501 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.636 6.683 6.141 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.639 7.962 6.796 1.00 0.00 H new ATOM 434 N ASN A 32 7.197 7.872 10.461 1.00 0.00 N ATOM 435 CA ASN A 32 7.691 8.575 11.639 1.00 0.00 C ATOM 436 C ASN A 32 9.200 8.787 11.553 1.00 0.00 C ATOM 437 O ASN A 32 9.692 9.900 11.739 1.00 0.00 O ATOM 438 CB ASN A 32 7.347 7.791 12.907 1.00 0.00 C ATOM 439 CG ASN A 32 5.854 7.571 13.064 1.00 0.00 C ATOM 440 OD1 ASN A 32 5.063 8.507 12.956 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.464 6.328 13.319 1.00 0.00 N ATOM 0 H ASN A 32 6.497 7.157 10.659 1.00 0.00 H new ATOM 0 HA ASN A 32 7.206 9.551 11.679 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.853 6.826 12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.726 8.328 13.777 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.472 6.118 13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.156 5.583 13.400 1.00 0.00 H new ATOM 448 N SER A 33 9.928 7.712 11.270 1.00 0.00 N ATOM 449 CA SER A 33 11.381 7.779 11.162 1.00 0.00 C ATOM 450 C SER A 33 11.815 9.076 10.485 1.00 0.00 C ATOM 451 O SER A 33 12.728 9.758 10.953 1.00 0.00 O ATOM 452 CB SER A 33 11.911 6.578 10.377 1.00 0.00 C ATOM 453 OG SER A 33 13.327 6.533 10.409 1.00 0.00 O ATOM 0 H SER A 33 9.536 6.784 11.111 1.00 0.00 H new ATOM 0 HA SER A 33 11.798 7.758 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.505 5.657 10.797 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.569 6.635 9.344 1.00 0.00 H new ATOM 0 HG SER A 33 13.641 5.756 9.902 1.00 0.00 H new ATOM 459 N LEU A 34 11.157 9.409 9.381 1.00 0.00 N ATOM 460 CA LEU A 34 11.474 10.623 8.638 1.00 0.00 C ATOM 461 C LEU A 34 11.541 11.830 9.569 1.00 0.00 C ATOM 462 O LEU A 34 10.924 11.858 10.634 1.00 0.00 O ATOM 463 CB LEU A 34 10.429 10.865 7.547 1.00 0.00 C ATOM 464 CG LEU A 34 10.506 9.945 6.328 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.347 10.215 5.381 1.00 0.00 C ATOM 466 CD2 LEU A 34 11.836 10.122 5.610 1.00 0.00 C ATOM 0 H LEU A 34 10.400 8.855 8.980 1.00 0.00 H new ATOM 0 HA LEU A 34 12.451 10.490 8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.439 10.764 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.521 11.896 7.206 1.00 0.00 H new ATOM 0 HG LEU A 34 10.435 8.913 6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.419 9.551 4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.405 10.037 5.899 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.386 11.251 5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.874 9.460 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.936 11.156 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.652 9.877 6.290 1.00 0.00 H new ATOM 478 N PRO A 35 12.307 12.852 9.159 1.00 0.00 N ATOM 479 CA PRO A 35 12.471 14.081 9.941 1.00 0.00 C ATOM 480 C PRO A 35 11.198 14.920 9.976 1.00 0.00 C ATOM 481 O PRO A 35 10.112 14.433 9.660 1.00 0.00 O ATOM 482 CB PRO A 35 13.582 14.827 9.199 1.00 0.00 C ATOM 483 CG PRO A 35 13.511 14.321 7.800 1.00 0.00 C ATOM 484 CD PRO A 35 13.070 12.887 7.901 1.00 0.00 C ATOM 0 HA PRO A 35 12.702 13.872 10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.429 15.905 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.557 14.627 9.643 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.806 14.905 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.480 14.398 7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 35 12.455 12.595 7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.921 12.206 7.928 1.00 0.00 H new ATOM 492 N LYS A 36 11.338 16.184 10.362 1.00 0.00 N ATOM 493 CA LYS A 36 10.200 17.092 10.437 1.00 0.00 C ATOM 494 C LYS A 36 9.692 17.445 9.043 1.00 0.00 C ATOM 495 O LYS A 36 8.486 17.455 8.794 1.00 0.00 O ATOM 496 CB LYS A 36 10.588 18.368 11.188 1.00 0.00 C ATOM 497 CG LYS A 36 9.416 19.052 11.870 1.00 0.00 C ATOM 498 CD LYS A 36 8.703 20.008 10.927 1.00 0.00 C ATOM 499 CE LYS A 36 9.465 21.317 10.780 1.00 0.00 C ATOM 500 NZ LYS A 36 9.048 22.066 9.562 1.00 0.00 N ATOM 0 H LYS A 36 12.229 16.603 10.628 1.00 0.00 H new ATOM 0 HA LYS A 36 9.400 16.587 10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.341 18.124 11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.048 19.066 10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.713 18.300 12.228 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.771 19.598 12.744 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.590 19.540 9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.700 20.210 11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.298 21.936 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.534 21.112 10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.589 22.952 9.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.230 21.486 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.033 22.284 9.619 1.00 0.00 H new ATOM 514 N HIS A 37 10.620 17.733 8.135 1.00 0.00 N ATOM 515 CA HIS A 37 10.266 18.084 6.765 1.00 0.00 C ATOM 516 C HIS A 37 10.056 16.831 5.920 1.00 0.00 C ATOM 517 O HIS A 37 10.183 16.869 4.696 1.00 0.00 O ATOM 518 CB HIS A 37 11.357 18.957 6.142 1.00 0.00 C ATOM 519 CG HIS A 37 12.727 18.676 6.677 1.00 0.00 C ATOM 520 ND1 HIS A 37 13.280 17.413 6.705 1.00 0.00 N ATOM 521 CD2 HIS A 37 13.659 19.504 7.204 1.00 0.00 C ATOM 522 CE1 HIS A 37 14.491 17.476 7.229 1.00 0.00 C ATOM 523 NE2 HIS A 37 14.745 18.734 7.540 1.00 0.00 N ATOM 0 H HIS A 37 11.622 17.730 8.324 1.00 0.00 H new ATOM 0 HA HIS A 37 9.332 18.645 6.789 1.00 0.00 H new ATOM 0 HB2 HIS A 37 11.359 18.806 5.063 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.116 20.006 6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 37 13.566 20.572 7.336 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.159 16.641 7.378 1.00 0.00 H new ATOM 0 HE2 HIS A 37 15.608 19.078 7.961 1.00 0.00 H new ATOM 532 N GLN A 38 9.735 15.724 6.581 1.00 0.00 N ATOM 533 CA GLN A 38 9.509 14.460 5.890 1.00 0.00 C ATOM 534 C GLN A 38 10.402 14.345 4.660 1.00 0.00 C ATOM 535 O GLN A 38 9.997 13.798 3.634 1.00 0.00 O ATOM 536 CB GLN A 38 8.040 14.333 5.483 1.00 0.00 C ATOM 537 CG GLN A 38 7.072 14.473 6.646 1.00 0.00 C ATOM 538 CD GLN A 38 7.130 13.296 7.599 1.00 0.00 C ATOM 539 OE1 GLN A 38 7.242 13.470 8.813 1.00 0.00 O ATOM 540 NE2 GLN A 38 7.054 12.088 7.053 1.00 0.00 N ATOM 0 H GLN A 38 9.626 15.676 7.594 1.00 0.00 H new ATOM 0 HA GLN A 38 9.760 13.650 6.575 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.811 15.094 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.886 13.364 5.007 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.297 15.389 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.058 14.573 6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.962 11.990 6.042 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.088 11.258 7.645 1.00 0.00 H new ATOM 549 N LYS A 39 11.620 14.866 4.768 1.00 0.00 N ATOM 550 CA LYS A 39 12.573 14.822 3.665 1.00 0.00 C ATOM 551 C LYS A 39 13.255 13.460 3.590 1.00 0.00 C ATOM 552 O LYS A 39 13.979 13.067 4.506 1.00 0.00 O ATOM 553 CB LYS A 39 13.623 15.923 3.827 1.00 0.00 C ATOM 554 CG LYS A 39 13.181 17.270 3.283 1.00 0.00 C ATOM 555 CD LYS A 39 13.541 17.424 1.815 1.00 0.00 C ATOM 556 CE LYS A 39 12.532 16.725 0.917 1.00 0.00 C ATOM 557 NZ LYS A 39 12.519 17.301 -0.456 1.00 0.00 N ATOM 0 H LYS A 39 11.971 15.324 5.609 1.00 0.00 H new ATOM 0 HA LYS A 39 12.025 14.986 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 39 13.865 16.029 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.538 15.618 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.104 17.378 3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.650 18.068 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.585 18.483 1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.534 17.012 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.769 15.662 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.537 16.808 1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.819 16.798 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.268 18.309 -0.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.461 17.199 -0.884 1.00 0.00 H new ATOM 571 N ILE A 40 13.022 12.746 2.494 1.00 0.00 N ATOM 572 CA ILE A 40 13.617 11.429 2.299 1.00 0.00 C ATOM 573 C ILE A 40 15.129 11.529 2.128 1.00 0.00 C ATOM 574 O ILE A 40 15.625 11.814 1.038 1.00 0.00 O ATOM 575 CB ILE A 40 13.019 10.717 1.072 1.00 0.00 C ATOM 576 CG1 ILE A 40 11.536 10.418 1.301 1.00 0.00 C ATOM 577 CG2 ILE A 40 13.784 9.435 0.779 1.00 0.00 C ATOM 578 CD1 ILE A 40 10.794 10.041 0.038 1.00 0.00 C ATOM 0 H ILE A 40 12.425 13.057 1.727 1.00 0.00 H new ATOM 0 HA ILE A 40 13.392 10.846 3.192 1.00 0.00 H new ATOM 0 HB ILE A 40 13.108 11.376 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.444 9.606 2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.061 11.293 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 13.350 8.943 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 40 14.829 9.673 0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.723 8.770 1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.749 9.843 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.854 10.861 -0.678 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.243 9.147 -0.395 1.00 0.00 H new ATOM 590 N THR A 41 15.859 11.292 3.214 1.00 0.00 N ATOM 591 CA THR A 41 17.315 11.354 3.185 1.00 0.00 C ATOM 592 C THR A 41 17.910 10.064 2.631 1.00 0.00 C ATOM 593 O THR A 41 18.977 10.075 2.018 1.00 0.00 O ATOM 594 CB THR A 41 17.894 11.612 4.588 1.00 0.00 C ATOM 595 OG1 THR A 41 17.377 10.652 5.516 1.00 0.00 O ATOM 596 CG2 THR A 41 17.557 13.017 5.064 1.00 0.00 C ATOM 0 H THR A 41 15.465 11.055 4.125 1.00 0.00 H new ATOM 0 HA THR A 41 17.583 12.184 2.531 1.00 0.00 H new ATOM 0 HB THR A 41 18.978 11.515 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.752 10.822 6.405 1.00 0.00 H new ATOM 0 HG21 THR A 41 17.977 13.175 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 41 17.978 13.746 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 41 16.474 13.138 5.104 1.00 0.00 H new ATOM 604 N ASP A 42 17.212 8.955 2.850 1.00 0.00 N ATOM 605 CA ASP A 42 17.671 7.656 2.370 1.00 0.00 C ATOM 606 C ASP A 42 16.994 7.294 1.052 1.00 0.00 C ATOM 607 O ASP A 42 15.814 7.579 0.849 1.00 0.00 O ATOM 608 CB ASP A 42 17.391 6.576 3.416 1.00 0.00 C ATOM 609 CG ASP A 42 17.962 6.924 4.776 1.00 0.00 C ATOM 610 OD1 ASP A 42 18.934 7.706 4.829 1.00 0.00 O ATOM 611 OD2 ASP A 42 17.436 6.416 5.788 1.00 0.00 O ATOM 0 H ASP A 42 16.327 8.929 3.356 1.00 0.00 H new ATOM 0 HA ASP A 42 18.746 7.717 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.314 6.430 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 42 17.814 5.630 3.079 1.00 0.00 H new ATOM 616 N SER A 43 17.750 6.664 0.158 1.00 0.00 N ATOM 617 CA SER A 43 17.225 6.267 -1.143 1.00 0.00 C ATOM 618 C SER A 43 16.673 4.846 -1.095 1.00 0.00 C ATOM 619 O SER A 43 17.275 3.916 -1.632 1.00 0.00 O ATOM 620 CB SER A 43 18.318 6.366 -2.209 1.00 0.00 C ATOM 621 OG SER A 43 17.761 6.361 -3.512 1.00 0.00 O ATOM 0 H SER A 43 18.728 6.418 0.311 1.00 0.00 H new ATOM 0 HA SER A 43 16.412 6.945 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.894 7.279 -2.060 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.011 5.531 -2.103 1.00 0.00 H new ATOM 0 HG SER A 43 18.480 6.427 -4.175 1.00 0.00 H new ATOM 627 N ARG A 44 15.523 4.686 -0.448 1.00 0.00 N ATOM 628 CA ARG A 44 14.889 3.379 -0.328 1.00 0.00 C ATOM 629 C ARG A 44 13.722 3.249 -1.303 1.00 0.00 C ATOM 630 O ARG A 44 13.189 4.248 -1.785 1.00 0.00 O ATOM 631 CB ARG A 44 14.398 3.156 1.104 1.00 0.00 C ATOM 632 CG ARG A 44 13.366 4.174 1.559 1.00 0.00 C ATOM 633 CD ARG A 44 14.021 5.361 2.249 1.00 0.00 C ATOM 634 NE ARG A 44 13.176 5.916 3.303 1.00 0.00 N ATOM 635 CZ ARG A 44 13.180 5.476 4.556 1.00 0.00 C ATOM 636 NH1 ARG A 44 13.981 4.481 4.910 1.00 0.00 N ATOM 637 NH2 ARG A 44 12.382 6.033 5.459 1.00 0.00 N ATOM 0 H ARG A 44 15.011 5.446 0.001 1.00 0.00 H new ATOM 0 HA ARG A 44 15.631 2.619 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 44 13.969 2.157 1.181 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.252 3.189 1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.793 4.522 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.661 3.699 2.241 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.975 5.051 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 14.237 6.135 1.512 1.00 0.00 H new ATOM 0 HE ARG A 44 12.548 6.684 3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 44 14.596 4.051 4.219 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.982 4.145 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.765 6.800 5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.386 5.694 6.421 1.00 0.00 H new ATOM 651 N TYR A 45 13.332 2.012 -1.589 1.00 0.00 N ATOM 652 CA TYR A 45 12.231 1.750 -2.509 1.00 0.00 C ATOM 653 C TYR A 45 11.036 1.154 -1.772 1.00 0.00 C ATOM 654 O TYR A 45 11.155 0.129 -1.099 1.00 0.00 O ATOM 655 CB TYR A 45 12.683 0.804 -3.622 1.00 0.00 C ATOM 656 CG TYR A 45 12.822 -0.634 -3.175 1.00 0.00 C ATOM 657 CD1 TYR A 45 14.001 -1.091 -2.598 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.777 -1.535 -3.331 1.00 0.00 C ATOM 659 CE1 TYR A 45 14.133 -2.404 -2.188 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.900 -2.849 -2.923 1.00 0.00 C ATOM 661 CZ TYR A 45 13.080 -3.279 -2.353 1.00 0.00 C ATOM 662 OH TYR A 45 13.207 -4.588 -1.947 1.00 0.00 O ATOM 0 H TYR A 45 13.762 1.174 -1.197 1.00 0.00 H new ATOM 0 HA TYR A 45 11.926 2.699 -2.950 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.967 0.853 -4.442 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.640 1.148 -4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.828 -0.408 -2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.852 -1.203 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.056 -2.743 -1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.076 -3.536 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 45 12.375 -5.071 -2.133 1.00 0.00 H new ATOM 672 N TYR A 46 9.884 1.802 -1.905 1.00 0.00 N ATOM 673 CA TYR A 46 8.666 1.338 -1.251 1.00 0.00 C ATOM 674 C TYR A 46 7.936 0.318 -2.120 1.00 0.00 C ATOM 675 O TYR A 46 7.825 0.485 -3.335 1.00 0.00 O ATOM 676 CB TYR A 46 7.743 2.519 -0.947 1.00 0.00 C ATOM 677 CG TYR A 46 8.197 3.356 0.228 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.840 3.015 1.527 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.981 4.487 0.039 1.00 0.00 C ATOM 680 CE1 TYR A 46 8.252 3.776 2.604 1.00 0.00 C ATOM 681 CE2 TYR A 46 9.399 5.253 1.110 1.00 0.00 C ATOM 682 CZ TYR A 46 9.031 4.894 2.390 1.00 0.00 C ATOM 683 OH TYR A 46 9.444 5.656 3.459 1.00 0.00 O ATOM 0 H TYR A 46 9.768 2.650 -2.460 1.00 0.00 H new ATOM 0 HA TYR A 46 8.948 0.856 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.676 3.154 -1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.739 2.143 -0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.230 2.140 1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 46 9.269 4.772 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.966 3.497 3.607 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.010 6.128 0.946 1.00 0.00 H new ATOM 0 HH TYR A 46 9.986 6.406 3.136 1.00 0.00 H new ATOM 693 N THR A 47 7.440 -0.741 -1.487 1.00 0.00 N ATOM 694 CA THR A 47 6.721 -1.789 -2.200 1.00 0.00 C ATOM 695 C THR A 47 5.284 -1.906 -1.703 1.00 0.00 C ATOM 696 O THR A 47 5.042 -2.290 -0.559 1.00 0.00 O ATOM 697 CB THR A 47 7.418 -3.154 -2.046 1.00 0.00 C ATOM 698 OG1 THR A 47 8.772 -3.066 -2.505 1.00 0.00 O ATOM 699 CG2 THR A 47 6.681 -4.230 -2.829 1.00 0.00 C ATOM 0 H THR A 47 7.523 -0.895 -0.482 1.00 0.00 H new ATOM 0 HA THR A 47 6.717 -1.508 -3.253 1.00 0.00 H new ATOM 0 HB THR A 47 7.409 -3.425 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.209 -3.937 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.192 -5.185 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.659 -4.314 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.663 -3.963 -3.886 1.00 0.00 H new ATOM 707 N VAL A 48 4.334 -1.575 -2.571 1.00 0.00 N ATOM 708 CA VAL A 48 2.920 -1.645 -2.220 1.00 0.00 C ATOM 709 C VAL A 48 2.244 -2.831 -2.898 1.00 0.00 C ATOM 710 O VAL A 48 2.094 -2.858 -4.120 1.00 0.00 O ATOM 711 CB VAL A 48 2.180 -0.353 -2.613 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.711 -0.440 -2.226 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.839 0.856 -1.966 1.00 0.00 C ATOM 0 H VAL A 48 4.517 -1.256 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 48 2.868 -1.770 -1.138 1.00 0.00 H new ATOM 0 HB VAL A 48 2.240 -0.236 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.204 0.482 -2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.249 -1.282 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.626 -0.582 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.303 1.760 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.812 0.748 -0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.875 0.927 -2.298 1.00 0.00 H new ATOM 723 N ARG A 49 1.837 -3.810 -2.097 1.00 0.00 N ATOM 724 CA ARG A 49 1.177 -5.001 -2.620 1.00 0.00 C ATOM 725 C ARG A 49 -0.335 -4.910 -2.432 1.00 0.00 C ATOM 726 O ARG A 49 -0.815 -4.379 -1.431 1.00 0.00 O ATOM 727 CB ARG A 49 1.713 -6.254 -1.925 1.00 0.00 C ATOM 728 CG ARG A 49 1.175 -6.447 -0.517 1.00 0.00 C ATOM 729 CD ARG A 49 1.593 -7.792 0.059 1.00 0.00 C ATOM 730 NE ARG A 49 1.071 -7.995 1.408 1.00 0.00 N ATOM 731 CZ ARG A 49 1.424 -9.012 2.186 1.00 0.00 C ATOM 732 NH1 ARG A 49 2.294 -9.913 1.752 1.00 0.00 N ATOM 733 NH2 ARG A 49 0.906 -9.129 3.402 1.00 0.00 N ATOM 0 H ARG A 49 1.952 -3.802 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 49 1.391 -5.066 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.460 -7.128 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.801 -6.200 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.539 -5.646 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.087 -6.377 -0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.238 -8.591 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.681 -7.856 0.078 1.00 0.00 H new ATOM 0 HE ARG A 49 0.399 -7.319 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.695 -9.827 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.563 -10.693 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.236 -8.438 3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.177 -9.910 3.999 1.00 0.00 H new ATOM 747 N TRP A 50 -1.078 -5.432 -3.402 1.00 0.00 N ATOM 748 CA TRP A 50 -2.535 -5.410 -3.344 1.00 0.00 C ATOM 749 C TRP A 50 -3.125 -6.659 -3.989 1.00 0.00 C ATOM 750 O TRP A 50 -2.500 -7.280 -4.849 1.00 0.00 O ATOM 751 CB TRP A 50 -3.074 -4.159 -4.039 1.00 0.00 C ATOM 752 CG TRP A 50 -2.809 -4.138 -5.514 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.647 -4.567 -6.504 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.624 -3.666 -6.165 1.00 0.00 C ATOM 755 NE1 TRP A 50 -3.054 -4.390 -7.731 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.814 -3.837 -7.550 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.423 -3.112 -5.713 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.846 -3.477 -8.484 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.536 -2.755 -6.641 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.321 -2.938 -8.013 1.00 0.00 C ATOM 0 H TRP A 50 -0.696 -5.875 -4.237 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.832 -5.391 -2.295 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.149 -4.092 -3.869 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.624 -3.277 -3.584 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.631 -4.984 -6.346 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -3.470 -4.631 -8.631 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.248 -2.966 -4.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -1.010 -3.618 -9.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.468 -2.327 -6.303 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.091 -2.648 -8.713 1.00 0.00 H new ATOM 771 N LYS A 51 -4.331 -7.023 -3.569 1.00 0.00 N ATOM 772 CA LYS A 51 -5.007 -8.198 -4.106 1.00 0.00 C ATOM 773 C LYS A 51 -6.502 -8.150 -3.808 1.00 0.00 C ATOM 774 O LYS A 51 -6.988 -7.221 -3.162 1.00 0.00 O ATOM 775 CB LYS A 51 -4.400 -9.474 -3.519 1.00 0.00 C ATOM 776 CG LYS A 51 -4.789 -9.723 -2.072 1.00 0.00 C ATOM 777 CD LYS A 51 -4.816 -11.208 -1.750 1.00 0.00 C ATOM 778 CE LYS A 51 -5.601 -11.488 -0.477 1.00 0.00 C ATOM 779 NZ LYS A 51 -4.984 -10.833 0.710 1.00 0.00 N ATOM 0 H LYS A 51 -4.861 -6.521 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.870 -8.202 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.713 -10.326 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.314 -9.415 -3.590 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.082 -9.219 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.770 -9.290 -1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.262 -11.754 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.796 -11.576 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.625 -11.134 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.653 -12.564 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.498 -11.116 1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.989 -11.125 0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.034 -9.800 0.601 1.00 0.00 H new ATOM 793 N THR A 52 -7.228 -9.158 -4.282 1.00 0.00 N ATOM 794 CA THR A 52 -8.668 -9.231 -4.066 1.00 0.00 C ATOM 795 C THR A 52 -9.011 -10.251 -2.987 1.00 0.00 C ATOM 796 O THR A 52 -8.326 -11.261 -2.834 1.00 0.00 O ATOM 797 CB THR A 52 -9.412 -9.602 -5.363 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.873 -10.811 -5.908 1.00 0.00 O ATOM 799 CG2 THR A 52 -9.303 -8.483 -6.388 1.00 0.00 C ATOM 0 H THR A 52 -6.842 -9.935 -4.818 1.00 0.00 H new ATOM 0 HA THR A 52 -8.990 -8.241 -3.742 1.00 0.00 H new ATOM 0 HB THR A 52 -10.465 -9.751 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.563 -11.270 -6.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.836 -8.768 -7.295 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.741 -7.572 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.254 -8.306 -6.624 1.00 0.00 H new ATOM 807 N ASN A 53 -10.077 -9.980 -2.240 1.00 0.00 N ATOM 808 CA ASN A 53 -10.511 -10.876 -1.174 1.00 0.00 C ATOM 809 C ASN A 53 -11.280 -12.065 -1.742 1.00 0.00 C ATOM 810 O ASN A 53 -11.524 -13.049 -1.045 1.00 0.00 O ATOM 811 CB ASN A 53 -11.385 -10.121 -0.170 1.00 0.00 C ATOM 812 CG ASN A 53 -11.423 -10.798 1.186 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.465 -11.294 1.616 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.284 -10.822 1.868 1.00 0.00 N ATOM 0 H ASN A 53 -10.656 -9.148 -2.353 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.624 -11.251 -0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -11.007 -9.105 -0.055 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.399 -10.042 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.249 -11.264 2.787 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.444 -10.399 1.473 1.00 0.00 H new ATOM 821 N ILE A 54 -11.658 -11.966 -3.012 1.00 0.00 N ATOM 822 CA ILE A 54 -12.397 -13.033 -3.674 1.00 0.00 C ATOM 823 C ILE A 54 -11.973 -13.173 -5.133 1.00 0.00 C ATOM 824 O ILE A 54 -12.045 -12.228 -5.919 1.00 0.00 O ATOM 825 CB ILE A 54 -13.916 -12.787 -3.614 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.428 -12.970 -2.184 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.643 -13.725 -4.567 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.771 -12.318 -1.935 1.00 0.00 C ATOM 0 H ILE A 54 -11.464 -11.157 -3.603 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.165 -13.955 -3.141 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.115 -11.761 -3.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.505 -14.036 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.698 -12.556 -1.489 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.716 -13.539 -4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.295 -13.551 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.440 -14.758 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.072 -12.488 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.695 -11.246 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.515 -12.749 -2.605 1.00 0.00 H new ATOM 840 N PRO A 55 -11.523 -14.380 -5.505 1.00 0.00 N ATOM 841 CA PRO A 55 -11.433 -15.512 -4.577 1.00 0.00 C ATOM 842 C PRO A 55 -10.341 -15.319 -3.531 1.00 0.00 C ATOM 843 O PRO A 55 -9.450 -14.487 -3.697 1.00 0.00 O ATOM 844 CB PRO A 55 -11.096 -16.693 -5.491 1.00 0.00 C ATOM 845 CG PRO A 55 -10.424 -16.080 -6.670 1.00 0.00 C ATOM 846 CD PRO A 55 -11.066 -14.733 -6.859 1.00 0.00 C ATOM 0 HA PRO A 55 -12.352 -15.645 -4.006 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.443 -17.407 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.995 -17.235 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.352 -15.981 -6.500 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.550 -16.700 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.358 -14.001 -7.248 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.896 -14.779 -7.564 1.00 0.00 H new ATOM 854 N ALA A 56 -10.417 -16.093 -2.453 1.00 0.00 N ATOM 855 CA ALA A 56 -9.433 -16.008 -1.381 1.00 0.00 C ATOM 856 C ALA A 56 -8.014 -16.112 -1.929 1.00 0.00 C ATOM 857 O ALA A 56 -7.164 -15.270 -1.641 1.00 0.00 O ATOM 858 CB ALA A 56 -9.683 -17.097 -0.348 1.00 0.00 C ATOM 0 H ALA A 56 -11.150 -16.786 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.538 -15.035 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.941 -17.022 0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.681 -16.976 0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.607 -18.075 -0.824 1.00 0.00 H new ATOM 864 N ASN A 57 -7.764 -17.150 -2.720 1.00 0.00 N ATOM 865 CA ASN A 57 -6.446 -17.365 -3.307 1.00 0.00 C ATOM 866 C ASN A 57 -6.339 -16.680 -4.667 1.00 0.00 C ATOM 867 O ASN A 57 -6.887 -17.158 -5.661 1.00 0.00 O ATOM 868 CB ASN A 57 -6.168 -18.862 -3.454 1.00 0.00 C ATOM 869 CG ASN A 57 -4.684 -19.171 -3.510 1.00 0.00 C ATOM 870 OD1 ASN A 57 -3.853 -18.349 -3.124 1.00 0.00 O ATOM 871 ND2 ASN A 57 -4.346 -20.362 -3.991 1.00 0.00 N ATOM 0 H ASN A 57 -8.457 -17.856 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.702 -16.929 -2.640 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -6.616 -19.396 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.648 -19.231 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.363 -20.627 -4.052 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.069 -21.012 -4.299 1.00 0.00 H new ATOM 878 N THR A 58 -5.628 -15.557 -4.703 1.00 0.00 N ATOM 879 CA THR A 58 -5.448 -14.806 -5.939 1.00 0.00 C ATOM 880 C THR A 58 -3.995 -14.383 -6.119 1.00 0.00 C ATOM 881 O THR A 58 -3.160 -14.603 -5.241 1.00 0.00 O ATOM 882 CB THR A 58 -6.343 -13.553 -5.970 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.145 -12.779 -4.782 1.00 0.00 O ATOM 884 CG2 THR A 58 -7.810 -13.939 -6.091 1.00 0.00 C ATOM 0 H THR A 58 -5.168 -15.148 -3.890 1.00 0.00 H new ATOM 0 HA THR A 58 -5.734 -15.469 -6.756 1.00 0.00 H new ATOM 0 HB THR A 58 -6.067 -12.958 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.717 -11.984 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.423 -13.038 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.963 -14.503 -7.011 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.096 -14.554 -5.237 1.00 0.00 H new ATOM 892 N LYS A 59 -3.698 -13.774 -7.262 1.00 0.00 N ATOM 893 CA LYS A 59 -2.345 -13.317 -7.557 1.00 0.00 C ATOM 894 C LYS A 59 -2.027 -12.032 -6.800 1.00 0.00 C ATOM 895 O LYS A 59 -2.898 -11.184 -6.603 1.00 0.00 O ATOM 896 CB LYS A 59 -2.179 -13.089 -9.061 1.00 0.00 C ATOM 897 CG LYS A 59 -2.117 -14.374 -9.868 1.00 0.00 C ATOM 898 CD LYS A 59 -1.390 -14.171 -11.187 1.00 0.00 C ATOM 899 CE LYS A 59 -0.779 -15.469 -11.692 1.00 0.00 C ATOM 900 NZ LYS A 59 0.546 -15.739 -11.067 1.00 0.00 N ATOM 0 H LYS A 59 -4.377 -13.585 -8.000 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.649 -14.090 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.010 -12.483 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.268 -12.516 -9.235 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.610 -15.145 -9.287 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.128 -14.733 -10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.085 -13.781 -11.931 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.607 -13.424 -11.061 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.456 -16.296 -11.479 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.666 -15.420 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.929 -16.632 -11.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.200 -14.962 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.435 -15.811 -10.035 1.00 0.00 H new ATOM 914 N TYR A 60 -0.775 -11.893 -6.378 1.00 0.00 N ATOM 915 CA TYR A 60 -0.343 -10.712 -5.641 1.00 0.00 C ATOM 916 C TYR A 60 0.347 -9.715 -6.567 1.00 0.00 C ATOM 917 O TYR A 60 1.339 -10.038 -7.220 1.00 0.00 O ATOM 918 CB TYR A 60 0.603 -11.110 -4.507 1.00 0.00 C ATOM 919 CG TYR A 60 -0.106 -11.424 -3.209 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.932 -10.486 -2.601 1.00 0.00 C ATOM 921 CD2 TYR A 60 0.049 -12.658 -2.590 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.581 -10.768 -1.415 1.00 0.00 C ATOM 923 CE2 TYR A 60 -0.598 -12.949 -1.405 1.00 0.00 C ATOM 924 CZ TYR A 60 -1.411 -12.001 -0.821 1.00 0.00 C ATOM 925 OH TYR A 60 -2.057 -12.287 0.360 1.00 0.00 O ATOM 0 H TYR A 60 -0.041 -12.584 -6.534 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.227 -10.236 -5.217 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.180 -11.981 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.313 -10.301 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.069 -9.520 -3.064 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.686 -13.403 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.218 -10.027 -0.955 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.468 -13.914 -0.938 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.831 -13.197 0.644 1.00 0.00 H new ATOM 935 N LYS A 61 -0.186 -8.499 -6.618 1.00 0.00 N ATOM 936 CA LYS A 61 0.377 -7.451 -7.461 1.00 0.00 C ATOM 937 C LYS A 61 1.031 -6.364 -6.615 1.00 0.00 C ATOM 938 O LYS A 61 0.417 -5.827 -5.694 1.00 0.00 O ATOM 939 CB LYS A 61 -0.713 -6.837 -8.344 1.00 0.00 C ATOM 940 CG LYS A 61 -0.881 -7.541 -9.680 1.00 0.00 C ATOM 941 CD LYS A 61 -1.390 -6.591 -10.750 1.00 0.00 C ATOM 942 CE LYS A 61 -1.479 -7.274 -12.106 1.00 0.00 C ATOM 943 NZ LYS A 61 -1.862 -6.321 -13.184 1.00 0.00 N ATOM 0 H LYS A 61 -1.008 -8.215 -6.085 1.00 0.00 H new ATOM 0 HA LYS A 61 1.140 -7.902 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.661 -6.863 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.476 -5.788 -8.523 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.074 -7.964 -9.992 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.577 -8.372 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.373 -6.215 -10.466 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.726 -5.729 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.518 -7.728 -12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.210 -8.081 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.912 -6.826 -14.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.791 -5.906 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.151 -5.564 -13.247 1.00 0.00 H new ATOM 957 N ASN A 62 2.281 -6.044 -6.934 1.00 0.00 N ATOM 958 CA ASN A 62 3.018 -5.020 -6.202 1.00 0.00 C ATOM 959 C ASN A 62 3.369 -3.847 -7.113 1.00 0.00 C ATOM 960 O ASN A 62 3.249 -3.939 -8.334 1.00 0.00 O ATOM 961 CB ASN A 62 4.294 -5.612 -5.601 1.00 0.00 C ATOM 962 CG ASN A 62 4.034 -6.906 -4.854 1.00 0.00 C ATOM 963 OD1 ASN A 62 3.916 -6.916 -3.628 1.00 0.00 O ATOM 964 ND2 ASN A 62 3.944 -8.007 -5.591 1.00 0.00 N ATOM 0 H ASN A 62 2.804 -6.479 -7.694 1.00 0.00 H new ATOM 0 HA ASN A 62 2.381 -4.655 -5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.017 -5.794 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.743 -4.887 -4.922 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.771 -8.907 -5.144 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.048 -7.952 -6.604 1.00 0.00 H new ATOM 971 N ALA A 63 3.805 -2.746 -6.510 1.00 0.00 N ATOM 972 CA ALA A 63 4.176 -1.556 -7.266 1.00 0.00 C ATOM 973 C ALA A 63 5.431 -0.909 -6.690 1.00 0.00 C ATOM 974 O ALA A 63 5.552 -0.738 -5.478 1.00 0.00 O ATOM 975 CB ALA A 63 3.026 -0.560 -7.281 1.00 0.00 C ATOM 0 H ALA A 63 3.910 -2.653 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 63 4.392 -1.859 -8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.317 0.324 -7.849 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.153 -1.019 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.782 -0.270 -6.259 1.00 0.00 H new ATOM 981 N ASN A 64 6.363 -0.553 -7.568 1.00 0.00 N ATOM 982 CA ASN A 64 7.610 0.074 -7.145 1.00 0.00 C ATOM 983 C ASN A 64 7.538 1.590 -7.304 1.00 0.00 C ATOM 984 O ASN A 64 7.418 2.103 -8.417 1.00 0.00 O ATOM 985 CB ASN A 64 8.784 -0.479 -7.956 1.00 0.00 C ATOM 986 CG ASN A 64 8.961 -1.974 -7.770 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.828 -2.493 -6.661 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.264 -2.674 -8.857 1.00 0.00 N ATOM 0 H ASN A 64 6.279 -0.688 -8.576 1.00 0.00 H new ATOM 0 HA ASN A 64 7.764 -0.157 -6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.626 -0.263 -9.013 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.700 0.032 -7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.396 -3.683 -8.793 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.364 -2.202 -9.756 1.00 0.00 H new ATOM 995 N ALA A 65 7.612 2.301 -6.184 1.00 0.00 N ATOM 996 CA ALA A 65 7.558 3.758 -6.199 1.00 0.00 C ATOM 997 C ALA A 65 8.148 4.342 -4.920 1.00 0.00 C ATOM 998 O ALA A 65 7.642 4.102 -3.824 1.00 0.00 O ATOM 999 CB ALA A 65 6.124 4.231 -6.385 1.00 0.00 C ATOM 0 H ALA A 65 7.710 1.892 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 65 8.157 4.111 -7.039 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.099 5.321 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.735 3.851 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.509 3.861 -5.564 1.00 0.00 H new ATOM 1005 N THR A 66 9.223 5.112 -5.067 1.00 0.00 N ATOM 1006 CA THR A 66 9.883 5.729 -3.924 1.00 0.00 C ATOM 1007 C THR A 66 9.237 7.064 -3.571 1.00 0.00 C ATOM 1008 O THR A 66 9.552 8.095 -4.166 1.00 0.00 O ATOM 1009 CB THR A 66 11.382 5.953 -4.195 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.557 7.012 -5.143 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.033 4.682 -4.722 1.00 0.00 C ATOM 0 H THR A 66 9.654 5.322 -5.967 1.00 0.00 H new ATOM 0 HA THR A 66 9.772 5.042 -3.086 1.00 0.00 H new ATOM 0 HB THR A 66 11.861 6.225 -3.254 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.751 7.570 -5.163 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.092 4.865 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.925 3.886 -3.986 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.549 4.384 -5.652 1.00 0.00 H new ATOM 1019 N THR A 67 8.331 7.039 -2.599 1.00 0.00 N ATOM 1020 CA THR A 67 7.640 8.247 -2.167 1.00 0.00 C ATOM 1021 C THR A 67 6.738 7.967 -0.970 1.00 0.00 C ATOM 1022 O THR A 67 6.723 6.856 -0.437 1.00 0.00 O ATOM 1023 CB THR A 67 6.792 8.847 -3.304 1.00 0.00 C ATOM 1024 OG1 THR A 67 6.321 10.147 -2.931 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.610 7.947 -3.630 1.00 0.00 C ATOM 0 H THR A 67 8.059 6.195 -2.096 1.00 0.00 H new ATOM 0 HA THR A 67 8.409 8.964 -1.880 1.00 0.00 H new ATOM 0 HB THR A 67 7.420 8.930 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.784 10.522 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.026 8.391 -4.436 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.973 6.968 -3.942 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.983 7.836 -2.746 1.00 0.00 H new ATOM 1033 N LEU A 68 5.988 8.980 -0.551 1.00 0.00 N ATOM 1034 CA LEU A 68 5.081 8.842 0.584 1.00 0.00 C ATOM 1035 C LEU A 68 3.627 8.945 0.136 1.00 0.00 C ATOM 1036 O LEU A 68 2.759 9.361 0.902 1.00 0.00 O ATOM 1037 CB LEU A 68 5.380 9.914 1.634 1.00 0.00 C ATOM 1038 CG LEU A 68 6.717 9.783 2.365 1.00 0.00 C ATOM 1039 CD1 LEU A 68 7.101 11.103 3.015 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.650 8.674 3.405 1.00 0.00 C ATOM 0 H LEU A 68 5.990 9.906 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 68 5.237 7.857 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.348 10.889 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.581 9.901 2.375 1.00 0.00 H new ATOM 0 HG LEU A 68 7.484 9.524 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.055 10.991 3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.191 11.873 2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.333 11.392 3.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.610 8.595 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.871 8.903 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.421 7.728 2.914 1.00 0.00 H new ATOM 1052 N SER A 69 3.369 8.561 -1.111 1.00 0.00 N ATOM 1053 CA SER A 69 2.020 8.612 -1.662 1.00 0.00 C ATOM 1054 C SER A 69 1.937 7.826 -2.967 1.00 0.00 C ATOM 1055 O SER A 69 2.569 8.184 -3.962 1.00 0.00 O ATOM 1056 CB SER A 69 1.598 10.063 -1.899 1.00 0.00 C ATOM 1057 OG SER A 69 2.671 10.829 -2.418 1.00 0.00 O ATOM 0 H SER A 69 4.076 8.212 -1.758 1.00 0.00 H new ATOM 0 HA SER A 69 1.341 8.157 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.758 10.092 -2.593 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.253 10.502 -0.963 1.00 0.00 H new ATOM 0 HG SER A 69 3.123 10.322 -3.124 1.00 0.00 H new ATOM 1063 N TYR A 70 1.154 6.754 -2.956 1.00 0.00 N ATOM 1064 CA TYR A 70 0.989 5.915 -4.137 1.00 0.00 C ATOM 1065 C TYR A 70 -0.487 5.760 -4.493 1.00 0.00 C ATOM 1066 O TYR A 70 -1.310 5.418 -3.644 1.00 0.00 O ATOM 1067 CB TYR A 70 1.616 4.539 -3.903 1.00 0.00 C ATOM 1068 CG TYR A 70 1.239 3.516 -4.950 1.00 0.00 C ATOM 1069 CD1 TYR A 70 1.275 3.832 -6.303 1.00 0.00 C ATOM 1070 CD2 TYR A 70 0.849 2.233 -4.587 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.930 2.900 -7.263 1.00 0.00 C ATOM 1072 CE2 TYR A 70 0.504 1.294 -5.540 1.00 0.00 C ATOM 1073 CZ TYR A 70 0.546 1.633 -6.877 1.00 0.00 C ATOM 1074 OH TYR A 70 0.204 0.701 -7.830 1.00 0.00 O ATOM 0 H TYR A 70 0.623 6.445 -2.142 1.00 0.00 H new ATOM 0 HA TYR A 70 1.496 6.401 -4.970 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.701 4.642 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.312 4.172 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.578 4.823 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.815 1.965 -3.541 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.961 3.162 -8.310 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.203 0.301 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 70 0.192 -0.191 -7.425 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.813 6.013 -5.756 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.189 5.902 -6.228 1.00 0.00 C ATOM 1086 C LEU A 71 -2.383 4.627 -7.043 1.00 0.00 C ATOM 1087 O LEU A 71 -1.783 4.459 -8.104 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.560 7.122 -7.072 1.00 0.00 C ATOM 1089 CG LEU A 71 -4.043 7.491 -7.103 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.226 8.934 -7.547 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.809 6.548 -8.020 1.00 0.00 C ATOM 0 H LEU A 71 -0.143 6.296 -6.471 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.844 5.858 -5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.000 7.980 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.229 6.945 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.443 7.390 -6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.288 9.178 -7.563 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.712 9.597 -6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.809 9.063 -8.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.863 6.826 -8.029 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.407 6.617 -9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.707 5.525 -7.657 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.228 3.732 -6.540 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.504 2.474 -7.222 1.00 0.00 C ATOM 1105 C VAL A 72 -4.493 2.675 -8.365 1.00 0.00 C ATOM 1106 O VAL A 72 -5.513 3.347 -8.209 1.00 0.00 O ATOM 1107 CB VAL A 72 -4.067 1.420 -6.251 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.973 0.029 -6.858 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -3.335 1.479 -4.918 1.00 0.00 C ATOM 0 H VAL A 72 -3.733 3.856 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.556 2.117 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.119 1.642 -6.073 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.376 -0.702 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.546 -0.003 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.930 -0.206 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.746 0.727 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.274 1.284 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.460 2.468 -4.478 1.00 0.00 H new ATOM 1119 N THR A 73 -4.186 2.086 -9.517 1.00 0.00 N ATOM 1120 CA THR A 73 -5.046 2.200 -10.688 1.00 0.00 C ATOM 1121 C THR A 73 -5.212 0.854 -11.382 1.00 0.00 C ATOM 1122 O THR A 73 -4.317 0.011 -11.344 1.00 0.00 O ATOM 1123 CB THR A 73 -4.489 3.221 -11.698 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.158 2.856 -12.079 1.00 0.00 O ATOM 1125 CG2 THR A 73 -4.486 4.622 -11.105 1.00 0.00 C ATOM 0 H THR A 73 -3.347 1.525 -9.664 1.00 0.00 H new ATOM 0 HA THR A 73 -6.017 2.545 -10.333 1.00 0.00 H new ATOM 0 HB THR A 73 -5.132 3.217 -12.578 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.811 3.509 -12.722 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.089 5.326 -11.836 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.504 4.908 -10.842 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.863 4.637 -10.211 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.363 0.658 -12.018 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.624 -0.589 -12.713 1.00 0.00 C ATOM 1135 C GLY A 74 -7.180 -1.659 -11.794 1.00 0.00 C ATOM 1136 O GLY A 74 -6.617 -2.750 -11.687 1.00 0.00 O ATOM 0 H GLY A 74 -7.119 1.341 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.329 -0.409 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.701 -0.948 -13.167 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.287 -1.349 -11.129 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.919 -2.292 -10.213 1.00 0.00 C ATOM 1142 C LEU A 75 -10.321 -2.657 -10.689 1.00 0.00 C ATOM 1143 O LEU A 75 -10.750 -2.246 -11.768 1.00 0.00 O ATOM 1144 CB LEU A 75 -8.985 -1.699 -8.804 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.671 -1.157 -8.242 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.939 -0.111 -7.172 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.823 -2.290 -7.682 1.00 0.00 C ATOM 0 H LEU A 75 -8.766 -0.452 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.315 -3.199 -10.191 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.717 -0.891 -8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.358 -2.466 -8.126 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.119 -0.683 -9.054 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.992 0.263 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.506 0.714 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.512 -0.559 -6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.891 -1.886 -7.286 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.369 -2.793 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.601 -3.004 -8.475 1.00 0.00 H new ATOM 1159 N LYS A 76 -11.034 -3.431 -9.878 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.390 -3.850 -10.213 1.00 0.00 C ATOM 1161 C LYS A 76 -13.409 -3.169 -9.306 1.00 0.00 C ATOM 1162 O LYS A 76 -13.184 -2.980 -8.110 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.520 -5.370 -10.094 1.00 0.00 C ATOM 1164 CG LYS A 76 -11.927 -6.126 -11.271 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.947 -6.319 -12.380 1.00 0.00 C ATOM 1166 CE LYS A 76 -12.354 -7.080 -13.556 1.00 0.00 C ATOM 1167 NZ LYS A 76 -13.401 -7.507 -14.525 1.00 0.00 N ATOM 0 H LYS A 76 -10.695 -3.781 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.591 -3.554 -11.243 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.028 -5.698 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.574 -5.630 -10.000 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.066 -5.581 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.565 -7.098 -10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.810 -6.861 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.307 -5.347 -12.718 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.623 -6.451 -14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.820 -7.956 -13.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.957 -8.022 -15.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.084 -8.128 -14.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.894 -6.669 -14.895 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.559 -2.792 -9.885 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.637 -2.128 -9.146 1.00 0.00 C ATOM 1183 C PRO A 77 -16.327 -3.065 -8.161 1.00 0.00 C ATOM 1184 O PRO A 77 -16.321 -4.282 -8.340 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.610 -1.699 -10.248 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.360 -2.651 -11.366 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.895 -2.985 -11.306 1.00 0.00 C ATOM 0 HA PRO A 77 -15.267 -1.301 -8.540 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.644 -1.752 -9.906 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.429 -0.669 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.969 -3.548 -11.258 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.619 -2.203 -12.325 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.703 -4.008 -11.629 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.307 -2.331 -11.950 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.922 -2.489 -7.121 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.616 -3.273 -6.107 1.00 0.00 C ATOM 1197 C ASN A 78 -16.855 -4.559 -5.797 1.00 0.00 C ATOM 1198 O ASN A 78 -17.423 -5.651 -5.817 1.00 0.00 O ATOM 1199 CB ASN A 78 -19.035 -3.608 -6.574 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.851 -4.294 -5.496 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -20.326 -5.415 -5.681 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.018 -3.623 -4.362 1.00 0.00 N ATOM 0 H ASN A 78 -16.937 -1.482 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.671 -2.676 -5.197 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.540 -2.692 -6.880 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.983 -4.252 -7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.558 -4.034 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -19.606 -2.696 -4.252 1.00 0.00 H new ATOM 1209 N THR A 79 -15.564 -4.421 -5.512 1.00 0.00 N ATOM 1210 CA THR A 79 -14.723 -5.570 -5.198 1.00 0.00 C ATOM 1211 C THR A 79 -13.722 -5.235 -4.099 1.00 0.00 C ATOM 1212 O THR A 79 -12.982 -4.255 -4.196 1.00 0.00 O ATOM 1213 CB THR A 79 -13.959 -6.062 -6.442 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.873 -6.291 -7.520 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.197 -7.343 -6.136 1.00 0.00 C ATOM 0 H THR A 79 -15.078 -3.525 -5.492 1.00 0.00 H new ATOM 0 HA THR A 79 -15.386 -6.362 -4.851 1.00 0.00 H new ATOM 0 HB THR A 79 -13.244 -5.292 -6.731 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.097 -5.437 -7.946 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.665 -7.672 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.482 -7.158 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.898 -8.118 -5.825 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.702 -6.055 -3.054 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.789 -5.846 -1.935 1.00 0.00 C ATOM 1225 C LEU A 80 -11.340 -6.043 -2.371 1.00 0.00 C ATOM 1226 O LEU A 80 -11.009 -7.023 -3.037 1.00 0.00 O ATOM 1227 CB LEU A 80 -13.124 -6.806 -0.792 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.817 -6.302 0.619 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.325 -6.384 0.901 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.317 -4.876 0.797 1.00 0.00 C ATOM 0 H LEU A 80 -14.307 -6.870 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.909 -4.820 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.185 -7.048 -0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.576 -7.735 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.337 -6.940 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.125 -6.021 1.909 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.995 -7.419 0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.784 -5.770 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.090 -4.534 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.825 -4.225 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.395 -4.846 0.638 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.481 -5.105 -1.987 1.00 0.00 N ATOM 1243 CA TYR A 81 -9.067 -5.175 -2.338 1.00 0.00 C ATOM 1244 C TYR A 81 -8.190 -4.927 -1.115 1.00 0.00 C ATOM 1245 O TYR A 81 -8.657 -4.420 -0.096 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.740 -4.154 -3.430 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.927 -4.687 -4.832 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.950 -5.472 -5.434 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -10.078 -4.405 -5.557 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -8.116 -5.960 -6.715 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.253 -4.891 -6.838 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.269 -5.668 -7.413 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.438 -6.152 -8.690 1.00 0.00 O ATOM 0 H TYR A 81 -10.739 -4.288 -1.433 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.861 -6.177 -2.714 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.373 -3.276 -3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.708 -3.824 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.046 -5.704 -4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.850 -3.795 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.347 -6.567 -7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.155 -4.664 -7.386 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.962 -7.004 -8.783 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.915 -5.287 -1.227 1.00 0.00 N ATOM 1264 CA GLU A 82 -5.971 -5.104 -0.130 1.00 0.00 C ATOM 1265 C GLU A 82 -4.909 -4.070 -0.493 1.00 0.00 C ATOM 1266 O GLU A 82 -4.520 -3.946 -1.655 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.304 -6.434 0.225 1.00 0.00 C ATOM 1268 CG GLU A 82 -3.939 -6.276 0.875 1.00 0.00 C ATOM 1269 CD GLU A 82 -3.392 -7.586 1.408 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -4.183 -8.379 1.960 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -2.172 -7.817 1.274 1.00 0.00 O ATOM 0 H GLU A 82 -6.512 -5.706 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.525 -4.741 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.956 -6.989 0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.199 -7.031 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.240 -5.864 0.148 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.010 -5.557 1.691 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.445 -3.331 0.508 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.429 -2.307 0.296 1.00 0.00 C ATOM 1280 C PHE A 83 -2.463 -2.245 1.476 1.00 0.00 C ATOM 1281 O PHE A 83 -2.882 -2.177 2.631 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.086 -0.941 0.088 1.00 0.00 C ATOM 1283 CG PHE A 83 -5.082 -0.920 -1.036 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.729 -1.362 -2.301 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.372 -0.458 -0.828 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.643 -1.343 -3.337 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.291 -0.437 -1.861 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.926 -0.881 -3.116 1.00 0.00 C ATOM 0 H PHE A 83 -4.756 -3.422 1.475 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.865 -2.571 -0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.584 -0.642 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.311 -0.200 -0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.728 -1.726 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.663 -0.110 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.355 -1.689 -4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.293 -0.074 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.642 -0.867 -3.924 1.00 0.00 H new ATOM 1298 N SER A 84 -1.168 -2.270 1.175 1.00 0.00 N ATOM 1299 CA SER A 84 -0.142 -2.221 2.210 1.00 0.00 C ATOM 1300 C SER A 84 1.113 -1.523 1.698 1.00 0.00 C ATOM 1301 O SER A 84 1.308 -1.377 0.491 1.00 0.00 O ATOM 1302 CB SER A 84 0.203 -3.634 2.682 1.00 0.00 C ATOM 1303 OG SER A 84 0.610 -3.633 4.040 1.00 0.00 O ATOM 0 H SER A 84 -0.805 -2.324 0.223 1.00 0.00 H new ATOM 0 HA SER A 84 -0.536 -1.651 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.664 -4.284 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.999 -4.044 2.061 1.00 0.00 H new ATOM 0 HG SER A 84 -0.175 -3.527 4.617 1.00 0.00 H new ATOM 1309 N VAL A 85 1.963 -1.092 2.624 1.00 0.00 N ATOM 1310 CA VAL A 85 3.202 -0.409 2.268 1.00 0.00 C ATOM 1311 C VAL A 85 4.355 -0.864 3.156 1.00 0.00 C ATOM 1312 O VAL A 85 4.206 -0.983 4.371 1.00 0.00 O ATOM 1313 CB VAL A 85 3.053 1.119 2.382 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.142 1.823 1.587 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.673 1.556 1.915 1.00 0.00 C ATOM 0 H VAL A 85 1.817 -1.204 3.627 1.00 0.00 H new ATOM 0 HA VAL A 85 3.420 -0.669 1.232 1.00 0.00 H new ATOM 0 HB VAL A 85 3.163 1.400 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.020 2.902 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.119 1.534 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.068 1.538 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.585 2.639 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.531 1.263 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.912 1.079 2.533 1.00 0.00 H new ATOM 1325 N MET A 86 5.505 -1.117 2.539 1.00 0.00 N ATOM 1326 CA MET A 86 6.685 -1.558 3.274 1.00 0.00 C ATOM 1327 C MET A 86 7.951 -0.940 2.690 1.00 0.00 C ATOM 1328 O MET A 86 8.024 -0.664 1.492 1.00 0.00 O ATOM 1329 CB MET A 86 6.788 -3.084 3.247 1.00 0.00 C ATOM 1330 CG MET A 86 7.143 -3.645 1.880 1.00 0.00 C ATOM 1331 SD MET A 86 7.444 -5.422 1.915 1.00 0.00 S ATOM 1332 CE MET A 86 9.193 -5.462 2.301 1.00 0.00 C ATOM 0 H MET A 86 5.645 -1.024 1.533 1.00 0.00 H new ATOM 0 HA MET A 86 6.584 -1.227 4.308 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.541 -3.402 3.968 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.838 -3.510 3.570 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.333 -3.431 1.182 1.00 0.00 H new ATOM 0 HG3 MET A 86 8.031 -3.137 1.503 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.530 -6.497 2.357 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.750 -4.941 1.522 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.365 -4.972 3.259 1.00 0.00 H new ATOM 1342 N VAL A 87 8.947 -0.724 3.543 1.00 0.00 N ATOM 1343 CA VAL A 87 10.211 -0.140 3.111 1.00 0.00 C ATOM 1344 C VAL A 87 11.335 -1.169 3.153 1.00 0.00 C ATOM 1345 O VAL A 87 11.331 -2.077 3.984 1.00 0.00 O ATOM 1346 CB VAL A 87 10.601 1.066 3.986 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.732 0.648 5.443 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.892 1.693 3.484 1.00 0.00 C ATOM 0 H VAL A 87 8.903 -0.945 4.538 1.00 0.00 H new ATOM 0 HA VAL A 87 10.069 0.197 2.084 1.00 0.00 H new ATOM 0 HB VAL A 87 9.811 1.814 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 87 11.008 1.513 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.780 0.250 5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.502 -0.118 5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.152 2.544 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.693 0.955 3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.757 2.030 2.456 1.00 0.00 H new ATOM 1358 N THR A 88 12.300 -1.020 2.250 1.00 0.00 N ATOM 1359 CA THR A 88 13.432 -1.936 2.183 1.00 0.00 C ATOM 1360 C THR A 88 14.740 -1.181 1.983 1.00 0.00 C ATOM 1361 O THR A 88 14.875 -0.387 1.052 1.00 0.00 O ATOM 1362 CB THR A 88 13.262 -2.956 1.041 1.00 0.00 C ATOM 1363 OG1 THR A 88 12.095 -3.755 1.268 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.485 -3.855 0.931 1.00 0.00 C ATOM 0 H THR A 88 12.320 -0.274 1.555 1.00 0.00 H new ATOM 0 HA THR A 88 13.465 -2.467 3.134 1.00 0.00 H new ATOM 0 HB THR A 88 13.150 -2.407 0.106 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.993 -4.400 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.341 -4.567 0.118 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.367 -3.247 0.729 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.624 -4.396 1.867 1.00 0.00 H new ATOM 1372 N LYS A 89 15.704 -1.432 2.863 1.00 0.00 N ATOM 1373 CA LYS A 89 17.004 -0.777 2.783 1.00 0.00 C ATOM 1374 C LYS A 89 18.083 -1.762 2.345 1.00 0.00 C ATOM 1375 O LYS A 89 19.064 -1.980 3.055 1.00 0.00 O ATOM 1376 CB LYS A 89 17.375 -0.167 4.136 1.00 0.00 C ATOM 1377 CG LYS A 89 18.311 1.025 4.030 1.00 0.00 C ATOM 1378 CD LYS A 89 18.925 1.372 5.376 1.00 0.00 C ATOM 1379 CE LYS A 89 17.992 2.238 6.208 1.00 0.00 C ATOM 1380 NZ LYS A 89 18.384 2.255 7.644 1.00 0.00 N ATOM 0 H LYS A 89 15.609 -2.085 3.641 1.00 0.00 H new ATOM 0 HA LYS A 89 16.938 0.017 2.039 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.464 0.142 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.844 -0.933 4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 89 19.103 0.805 3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.764 1.886 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.154 0.455 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.869 1.896 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.997 3.256 5.818 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.972 1.866 6.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.724 2.856 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 18.355 1.287 8.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 19.348 2.634 7.736 1.00 0.00 H new ATOM 1394 N GLY A 90 17.896 -2.354 1.168 1.00 0.00 N ATOM 1395 CA GLY A 90 18.863 -3.307 0.656 1.00 0.00 C ATOM 1396 C GLY A 90 18.689 -4.688 1.255 1.00 0.00 C ATOM 1397 O GLY A 90 17.880 -5.483 0.775 1.00 0.00 O ATOM 0 H GLY A 90 17.093 -2.190 0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 90 18.768 -3.370 -0.428 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.870 -2.947 0.867 1.00 0.00 H new ATOM 1401 N ARG A 91 19.451 -4.977 2.305 1.00 0.00 N ATOM 1402 CA ARG A 91 19.379 -6.273 2.968 1.00 0.00 C ATOM 1403 C ARG A 91 18.295 -6.275 4.041 1.00 0.00 C ATOM 1404 O ARG A 91 17.700 -7.312 4.335 1.00 0.00 O ATOM 1405 CB ARG A 91 20.730 -6.626 3.592 1.00 0.00 C ATOM 1406 CG ARG A 91 20.752 -7.987 4.269 1.00 0.00 C ATOM 1407 CD ARG A 91 21.040 -9.099 3.272 1.00 0.00 C ATOM 1408 NE ARG A 91 20.504 -10.383 3.717 1.00 0.00 N ATOM 1409 CZ ARG A 91 21.115 -11.170 4.596 1.00 0.00 C ATOM 1410 NH1 ARG A 91 22.276 -10.805 5.122 1.00 0.00 N ATOM 1411 NH2 ARG A 91 20.565 -12.324 4.950 1.00 0.00 N ATOM 0 H ARG A 91 20.125 -4.331 2.715 1.00 0.00 H new ATOM 0 HA ARG A 91 19.126 -7.023 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.496 -6.603 2.817 1.00 0.00 H new ATOM 0 HB3 ARG A 91 20.994 -5.862 4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 91 21.510 -7.993 5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 91 19.793 -8.170 4.753 1.00 0.00 H new ATOM 0 HD2 ARG A 91 20.608 -8.841 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.117 -9.186 3.126 1.00 0.00 H new ATOM 0 HE ARG A 91 19.612 -10.692 3.332 1.00 0.00 H new ATOM 0 HH11 ARG A 91 22.702 -9.918 4.852 1.00 0.00 H new ATOM 0 HH12 ARG A 91 22.743 -11.411 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.672 -12.608 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 91 21.035 -12.927 5.625 1.00 0.00 H new ATOM 1425 N ARG A 92 18.043 -5.107 4.623 1.00 0.00 N ATOM 1426 CA ARG A 92 17.031 -4.975 5.665 1.00 0.00 C ATOM 1427 C ARG A 92 15.658 -4.704 5.057 1.00 0.00 C ATOM 1428 O ARG A 92 15.550 -4.146 3.966 1.00 0.00 O ATOM 1429 CB ARG A 92 17.406 -3.847 6.628 1.00 0.00 C ATOM 1430 CG ARG A 92 18.739 -4.060 7.327 1.00 0.00 C ATOM 1431 CD ARG A 92 19.886 -3.455 6.533 1.00 0.00 C ATOM 1432 NE ARG A 92 21.146 -3.502 7.271 1.00 0.00 N ATOM 1433 CZ ARG A 92 21.451 -2.668 8.258 1.00 0.00 C ATOM 1434 NH1 ARG A 92 20.592 -1.727 8.625 1.00 0.00 N ATOM 1435 NH2 ARG A 92 22.618 -2.774 8.881 1.00 0.00 N ATOM 0 H ARG A 92 18.525 -4.239 4.391 1.00 0.00 H new ATOM 0 HA ARG A 92 16.986 -5.915 6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.440 -2.907 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.623 -3.747 7.380 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.706 -3.612 8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.913 -5.127 7.464 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.997 -3.991 5.591 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.649 -2.420 6.285 1.00 0.00 H new ATOM 0 HE ARG A 92 21.829 -4.215 7.014 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.694 -1.642 8.149 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.829 -1.088 9.384 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.281 -3.497 8.602 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.851 -2.133 9.639 1.00 0.00 H new ATOM 1449 N SER A 93 14.611 -5.106 5.772 1.00 0.00 N ATOM 1450 CA SER A 93 13.245 -4.911 5.302 1.00 0.00 C ATOM 1451 C SER A 93 12.292 -4.700 6.475 1.00 0.00 C ATOM 1452 O SER A 93 12.622 -5.005 7.620 1.00 0.00 O ATOM 1453 CB SER A 93 12.792 -6.114 4.472 1.00 0.00 C ATOM 1454 OG SER A 93 12.951 -7.322 5.196 1.00 0.00 O ATOM 0 H SER A 93 14.683 -5.568 6.678 1.00 0.00 H new ATOM 0 HA SER A 93 13.226 -4.019 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.747 -5.991 4.188 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.369 -6.161 3.549 1.00 0.00 H new ATOM 0 HG SER A 93 12.653 -8.075 4.645 1.00 0.00 H new ATOM 1460 N SER A 94 11.107 -4.175 6.179 1.00 0.00 N ATOM 1461 CA SER A 94 10.106 -3.918 7.208 1.00 0.00 C ATOM 1462 C SER A 94 8.821 -4.690 6.921 1.00 0.00 C ATOM 1463 O SER A 94 8.355 -4.742 5.782 1.00 0.00 O ATOM 1464 CB SER A 94 9.806 -2.421 7.296 1.00 0.00 C ATOM 1465 OG SER A 94 9.008 -1.995 6.205 1.00 0.00 O ATOM 0 H SER A 94 10.817 -3.919 5.235 1.00 0.00 H new ATOM 0 HA SER A 94 10.508 -4.257 8.163 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.292 -2.204 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.740 -1.860 7.308 1.00 0.00 H new ATOM 0 HG SER A 94 8.067 -2.198 6.389 1.00 0.00 H new ATOM 1471 N THR A 95 8.253 -5.289 7.962 1.00 0.00 N ATOM 1472 CA THR A 95 7.023 -6.059 7.823 1.00 0.00 C ATOM 1473 C THR A 95 5.937 -5.240 7.134 1.00 0.00 C ATOM 1474 O THR A 95 6.099 -4.041 6.910 1.00 0.00 O ATOM 1475 CB THR A 95 6.500 -6.534 9.192 1.00 0.00 C ATOM 1476 OG1 THR A 95 5.399 -7.432 9.011 1.00 0.00 O ATOM 1477 CG2 THR A 95 6.064 -5.353 10.045 1.00 0.00 C ATOM 0 H THR A 95 8.625 -5.256 8.911 1.00 0.00 H new ATOM 0 HA THR A 95 7.262 -6.929 7.211 1.00 0.00 H new ATOM 0 HB THR A 95 7.310 -7.052 9.706 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.073 -7.731 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.699 -5.714 11.006 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.912 -4.687 10.206 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.268 -4.810 9.535 1.00 0.00 H new ATOM 1485 N TRP A 96 4.831 -5.896 6.800 1.00 0.00 N ATOM 1486 CA TRP A 96 3.718 -5.228 6.137 1.00 0.00 C ATOM 1487 C TRP A 96 2.869 -4.457 7.141 1.00 0.00 C ATOM 1488 O TRP A 96 2.313 -5.038 8.073 1.00 0.00 O ATOM 1489 CB TRP A 96 2.852 -6.249 5.396 1.00 0.00 C ATOM 1490 CG TRP A 96 3.565 -6.918 4.260 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.997 -8.213 4.213 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.928 -6.326 3.008 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.608 -8.461 3.008 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.578 -7.321 2.250 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.767 -5.054 2.453 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 5.066 -7.079 0.969 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.251 -4.817 1.181 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.894 -5.825 0.450 1.00 0.00 C ATOM 0 H TRP A 96 4.682 -6.889 6.978 1.00 0.00 H new ATOM 0 HA TRP A 96 4.129 -4.520 5.418 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.514 -7.008 6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.961 -5.750 5.014 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.876 -8.936 5.006 1.00 0.00 H new ATOM 0 HE1 TRP A 96 5.018 -9.351 2.724 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.273 -4.270 3.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.563 -7.854 0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.132 -3.837 0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.261 -5.608 -0.542 1.00 0.00 H new ATOM 1509 N SER A 97 2.772 -3.146 6.945 1.00 0.00 N ATOM 1510 CA SER A 97 1.993 -2.294 7.837 1.00 0.00 C ATOM 1511 C SER A 97 0.512 -2.656 7.776 1.00 0.00 C ATOM 1512 O SER A 97 0.092 -3.457 6.942 1.00 0.00 O ATOM 1513 CB SER A 97 2.186 -0.822 7.468 1.00 0.00 C ATOM 1514 OG SER A 97 1.606 -0.531 6.209 1.00 0.00 O ATOM 0 H SER A 97 3.223 -2.650 6.176 1.00 0.00 H new ATOM 0 HA SER A 97 2.347 -2.455 8.855 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.736 -0.190 8.234 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.250 -0.586 7.445 1.00 0.00 H new ATOM 0 HG SER A 97 2.288 -0.606 5.509 1.00 0.00 H new ATOM 1520 N MET A 98 -0.273 -2.058 8.666 1.00 0.00 N ATOM 1521 CA MET A 98 -1.708 -2.316 8.714 1.00 0.00 C ATOM 1522 C MET A 98 -2.314 -2.275 7.315 1.00 0.00 C ATOM 1523 O MET A 98 -2.168 -1.289 6.592 1.00 0.00 O ATOM 1524 CB MET A 98 -2.402 -1.291 9.613 1.00 0.00 C ATOM 1525 CG MET A 98 -2.316 0.133 9.090 1.00 0.00 C ATOM 1526 SD MET A 98 -2.524 1.365 10.390 1.00 0.00 S ATOM 1527 CE MET A 98 -0.818 1.677 10.838 1.00 0.00 C ATOM 0 H MET A 98 0.060 -1.392 9.363 1.00 0.00 H new ATOM 0 HA MET A 98 -1.859 -3.313 9.128 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.451 -1.567 9.722 1.00 0.00 H new ATOM 0 HB3 MET A 98 -1.957 -1.332 10.607 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.350 0.280 8.606 1.00 0.00 H new ATOM 0 HG3 MET A 98 -3.080 0.283 8.328 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.703 1.587 11.918 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.173 0.951 10.342 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.538 2.683 10.526 1.00 0.00 H new ATOM 1537 N THR A 99 -2.994 -3.354 6.938 1.00 0.00 N ATOM 1538 CA THR A 99 -3.621 -3.442 5.625 1.00 0.00 C ATOM 1539 C THR A 99 -4.882 -2.587 5.559 1.00 0.00 C ATOM 1540 O THR A 99 -5.827 -2.799 6.319 1.00 0.00 O ATOM 1541 CB THR A 99 -3.982 -4.897 5.272 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.798 -5.700 5.235 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.690 -4.967 3.927 1.00 0.00 C ATOM 0 H THR A 99 -3.124 -4.179 7.524 1.00 0.00 H new ATOM 0 HA THR A 99 -2.895 -3.070 4.902 1.00 0.00 H new ATOM 0 HB THR A 99 -4.655 -5.278 6.040 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.036 -6.624 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.935 -6.004 3.698 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.606 -4.378 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.036 -4.569 3.151 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.889 -1.621 4.647 1.00 0.00 N ATOM 1552 CA ALA A 100 -6.035 -0.736 4.480 1.00 0.00 C ATOM 1553 C ALA A 100 -7.045 -1.323 3.500 1.00 0.00 C ATOM 1554 O ALA A 100 -6.743 -1.511 2.321 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.578 0.637 4.011 1.00 0.00 C ATOM 0 H ALA A 100 -4.114 -1.431 4.012 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.526 -0.632 5.448 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.444 1.287 3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.901 1.067 4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.060 0.542 3.057 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.244 -1.613 3.994 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.298 -2.180 3.161 1.00 0.00 C ATOM 1563 C HIS A 101 -10.156 -1.078 2.546 1.00 0.00 C ATOM 1564 O HIS A 101 -10.826 -0.329 3.256 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.174 -3.125 3.983 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.557 -4.471 4.206 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.526 -5.090 5.439 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.947 -5.319 3.346 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.921 -6.259 5.327 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.561 -6.423 4.067 1.00 0.00 N ATOM 0 H HIS A 101 -8.510 -1.465 4.967 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.827 -2.743 2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.383 -2.666 4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -11.131 -3.252 3.477 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.792 -5.158 2.289 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.750 -6.961 6.129 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -8.075 -7.237 3.690 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.129 -0.984 1.220 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.907 0.029 0.532 1.00 0.00 C ATOM 1581 C GLY A 102 -11.804 -0.557 -0.541 1.00 0.00 C ATOM 1582 O GLY A 102 -11.322 -1.081 -1.546 1.00 0.00 O ATOM 0 H GLY A 102 -9.582 -1.592 0.610 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.517 0.568 1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.232 0.756 0.080 1.00 0.00 H new ATOM 1586 N THR A 103 -13.113 -0.471 -0.328 1.00 0.00 N ATOM 1587 CA THR A 103 -14.079 -0.999 -1.282 1.00 0.00 C ATOM 1588 C THR A 103 -14.485 0.062 -2.299 1.00 0.00 C ATOM 1589 O THR A 103 -15.108 1.065 -1.950 1.00 0.00 O ATOM 1590 CB THR A 103 -15.342 -1.522 -0.572 1.00 0.00 C ATOM 1591 OG1 THR A 103 -14.977 -2.441 0.464 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.273 -2.209 -1.560 1.00 0.00 C ATOM 0 H THR A 103 -13.529 -0.040 0.498 1.00 0.00 H new ATOM 0 HA THR A 103 -13.592 -1.826 -1.799 1.00 0.00 H new ATOM 0 HB THR A 103 -15.865 -0.671 -0.135 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.785 -2.767 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.158 -2.570 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.573 -1.499 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.757 -3.050 -2.022 1.00 0.00 H new ATOM 1600 N THR A 104 -14.127 -0.165 -3.559 1.00 0.00 N ATOM 1601 CA THR A 104 -14.453 0.772 -4.627 1.00 0.00 C ATOM 1602 C THR A 104 -15.957 0.827 -4.870 1.00 0.00 C ATOM 1603 O THR A 104 -16.703 -0.038 -4.410 1.00 0.00 O ATOM 1604 CB THR A 104 -13.746 0.394 -5.942 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.717 -1.030 -6.090 1.00 0.00 O ATOM 1606 CG2 THR A 104 -12.327 0.941 -5.969 1.00 0.00 C ATOM 0 H THR A 104 -13.611 -0.990 -3.865 1.00 0.00 H new ATOM 0 HA THR A 104 -14.103 1.753 -4.304 1.00 0.00 H new ATOM 0 HB THR A 104 -14.304 0.833 -6.769 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.486 -1.258 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.847 0.662 -6.907 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.354 2.027 -5.885 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.761 0.526 -5.135 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.398 1.849 -5.596 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.814 2.016 -5.900 1.00 0.00 C ATOM 1616 C PHE A 105 -18.238 1.096 -7.042 1.00 0.00 C ATOM 1617 O PHE A 105 -17.398 0.548 -7.754 1.00 0.00 O ATOM 1618 CB PHE A 105 -18.110 3.472 -6.267 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.742 4.449 -5.187 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.414 4.447 -3.975 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.725 5.369 -5.384 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.077 5.345 -2.979 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.384 6.268 -4.392 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.062 6.257 -3.188 1.00 0.00 C ATOM 0 H PHE A 105 -15.795 2.574 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.385 1.749 -5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -17.567 3.727 -7.177 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -19.172 3.573 -6.491 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -19.210 3.736 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.193 5.384 -6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.607 5.333 -2.038 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -15.588 6.979 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 105 -16.798 6.960 -2.412 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.547 0.933 -7.207 1.00 0.00 N ATOM 1635 CA GLU A 106 -20.082 0.078 -8.260 1.00 0.00 C ATOM 1636 C GLU A 106 -20.034 0.785 -9.611 1.00 0.00 C ATOM 1637 O GLU A 106 -20.330 1.977 -9.712 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.521 -0.329 -7.936 1.00 0.00 C ATOM 1639 CG GLU A 106 -22.514 0.818 -8.030 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.901 0.429 -7.558 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.001 -0.369 -6.602 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -24.887 0.923 -8.144 1.00 0.00 O ATOM 0 H GLU A 106 -20.255 1.381 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.463 -0.817 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.828 -1.121 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.554 -0.745 -6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -22.153 1.656 -7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.569 1.162 -9.063 1.00 0.00 H new ATOM 1649 N LEU A 107 -19.659 0.044 -10.648 1.00 0.00 N ATOM 1650 CA LEU A 107 -19.571 0.598 -11.994 1.00 0.00 C ATOM 1651 C LEU A 107 -20.687 0.054 -12.881 1.00 0.00 C ATOM 1652 O LEU A 107 -21.439 0.817 -13.487 1.00 0.00 O ATOM 1653 CB LEU A 107 -18.210 0.276 -12.612 1.00 0.00 C ATOM 1654 CG LEU A 107 -18.061 0.578 -14.104 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -17.969 2.078 -14.338 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -16.839 -0.129 -14.672 1.00 0.00 C ATOM 0 H LEU A 107 -19.411 -0.943 -10.582 1.00 0.00 H new ATOM 0 HA LEU A 107 -19.683 1.680 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.446 0.835 -12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.003 -0.782 -12.454 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.945 0.204 -14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.863 2.274 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.874 2.560 -13.968 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.104 2.476 -13.809 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.749 0.097 -15.734 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.945 0.214 -14.151 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.946 -1.205 -14.538 1.00 0.00 H new ATOM 1668 N SER A 108 -20.789 -1.269 -12.950 1.00 0.00 N ATOM 1669 CA SER A 108 -21.811 -1.916 -13.764 1.00 0.00 C ATOM 1670 C SER A 108 -23.053 -2.224 -12.933 1.00 0.00 C ATOM 1671 O SER A 108 -22.957 -2.550 -11.750 1.00 0.00 O ATOM 1672 CB SER A 108 -21.263 -3.204 -14.380 1.00 0.00 C ATOM 1673 OG SER A 108 -22.200 -3.780 -15.275 1.00 0.00 O ATOM 0 H SER A 108 -20.176 -1.914 -12.452 1.00 0.00 H new ATOM 0 HA SER A 108 -22.091 -1.230 -14.564 1.00 0.00 H new ATOM 0 HB2 SER A 108 -20.334 -2.991 -14.908 1.00 0.00 H new ATOM 0 HB3 SER A 108 -21.025 -3.916 -13.590 1.00 0.00 H new ATOM 0 HG SER A 108 -21.825 -4.601 -15.657 1.00 0.00 H new ATOM 1679 N GLY A 109 -24.220 -2.117 -13.561 1.00 0.00 N ATOM 1680 CA GLY A 109 -25.464 -2.387 -12.865 1.00 0.00 C ATOM 1681 C GLY A 109 -26.635 -2.552 -13.814 1.00 0.00 C ATOM 1682 O GLY A 109 -26.888 -3.637 -14.338 1.00 0.00 O ATOM 0 H GLY A 109 -24.326 -1.848 -14.539 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -25.354 -3.292 -12.268 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -25.674 -1.572 -12.172 1.00 0.00 H new ATOM 1686 N PRO A 110 -27.373 -1.457 -14.045 1.00 0.00 N ATOM 1687 CA PRO A 110 -28.537 -1.461 -14.937 1.00 0.00 C ATOM 1688 C PRO A 110 -28.144 -1.625 -16.402 1.00 0.00 C ATOM 1689 O PRO A 110 -27.195 -0.999 -16.874 1.00 0.00 O ATOM 1690 CB PRO A 110 -29.167 -0.085 -14.704 1.00 0.00 C ATOM 1691 CG PRO A 110 -28.042 0.773 -14.238 1.00 0.00 C ATOM 1692 CD PRO A 110 -27.129 -0.130 -13.455 1.00 0.00 C ATOM 0 HA PRO A 110 -29.208 -2.294 -14.727 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -29.611 0.307 -15.619 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -29.962 -0.134 -13.960 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -27.518 1.221 -15.082 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -28.407 1.592 -13.618 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -26.086 0.169 -13.556 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -27.364 -0.114 -12.391 1.00 0.00 H new ATOM 1700 N SER A 111 -28.880 -2.471 -17.115 1.00 0.00 N ATOM 1701 CA SER A 111 -28.605 -2.721 -18.526 1.00 0.00 C ATOM 1702 C SER A 111 -29.837 -3.287 -19.227 1.00 0.00 C ATOM 1703 O SER A 111 -30.354 -4.337 -18.846 1.00 0.00 O ATOM 1704 CB SER A 111 -27.430 -3.688 -18.675 1.00 0.00 C ATOM 1705 OG SER A 111 -27.089 -3.869 -20.039 1.00 0.00 O ATOM 0 H SER A 111 -29.671 -2.995 -16.740 1.00 0.00 H new ATOM 0 HA SER A 111 -28.346 -1.771 -18.994 1.00 0.00 H new ATOM 0 HB2 SER A 111 -26.568 -3.305 -18.129 1.00 0.00 H new ATOM 0 HB3 SER A 111 -27.687 -4.649 -18.230 1.00 0.00 H new ATOM 0 HG SER A 111 -26.334 -4.490 -20.108 1.00 0.00 H new ATOM 1711 N SER A 112 -30.301 -2.582 -20.254 1.00 0.00 N ATOM 1712 CA SER A 112 -31.474 -3.011 -21.007 1.00 0.00 C ATOM 1713 C SER A 112 -31.280 -4.419 -21.560 1.00 0.00 C ATOM 1714 O SER A 112 -30.220 -4.749 -22.090 1.00 0.00 O ATOM 1715 CB SER A 112 -31.756 -2.035 -22.151 1.00 0.00 C ATOM 1716 OG SER A 112 -32.375 -0.854 -21.673 1.00 0.00 O ATOM 0 H SER A 112 -29.883 -1.712 -20.584 1.00 0.00 H new ATOM 0 HA SER A 112 -32.327 -3.021 -20.329 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.823 -1.782 -22.655 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.399 -2.513 -22.890 1.00 0.00 H new ATOM 0 HG SER A 112 -32.543 -0.246 -22.423 1.00 0.00 H new ATOM 1722 N GLY A 113 -32.313 -5.247 -21.431 1.00 0.00 N ATOM 1723 CA GLY A 113 -32.236 -6.610 -21.922 1.00 0.00 C ATOM 1724 C GLY A 113 -33.583 -7.307 -21.910 1.00 0.00 C ATOM 1725 O GLY A 113 -34.617 -6.677 -22.130 1.00 0.00 O ATOM 0 H GLY A 113 -33.201 -4.998 -20.995 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -31.842 -6.605 -22.938 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -31.533 -7.174 -21.310 1.00 0.00 H new TER 1729 GLY A 113