USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 704 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 16 MET CE :methyl -111:sc= -0.443 (180deg=-2.66!) USER MOD Set 1.2: A 24 GLN :FLIP amide:sc= -0.674 F(o=-2.4!,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0979 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.012 USER MOD Single : A 3 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc= -0.023 (180deg=-0.207) USER MOD Single : A 10 LYS NZ :NH3+ 161:sc= -0.0492 (180deg=-0.342) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0326 (180deg=-0.35) USER MOD Single : A 15 LYS NZ :NH3+ 137:sc= -0.16 (180deg=-0.545) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 163:sc= 1.33 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.419 USER MOD Single : A 25 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 30 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=-0.0055) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.015) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.967 K(o=0.97,f=-5.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 47:sc= 0.684 USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.79 (180deg=1.7) USER MOD Single : A 47 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0991) USER MOD Single : A 49 SER OG : rot 78:sc= 0.193 USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= 1.24 (180deg=1.19) USER MOD Single : A 54 THR OG1 : rot -82:sc= -1.1 USER MOD Single : A 55 MET CE :methyl -178:sc= -1.84! (180deg=-1.86) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0529 (180deg=-0.305) USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.036 (180deg=0.00849) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0559 (180deg=-0.359) USER MOD Single : A 66 MET CE :methyl -169:sc= -0.29 (180deg=-0.539) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 1.18 (180deg=-0.0103) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.398 USER MOD Single : A 78 MET CE :methyl -162:sc= -0.989 (180deg=-1.4) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.0162 (180deg=-0.159) USER MOD Single : A 80 THR OG1 : rot -35:sc= 0.77 USER MOD Single : A 81 TYR OH : rot 180:sc= 0.299 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.080 4.850 14.780 1.00 31.11 N ATOM 2 CA GLY A 1 7.698 6.177 14.578 1.00 73.12 C ATOM 3 C GLY A 1 7.180 7.202 15.563 1.00 21.21 C ATOM 4 O GLY A 1 6.490 6.852 16.531 1.00 23.34 O ATOM 0 H1 GLY A 1 7.825 4.134 14.896 1.00 31.11 H new ATOM 0 H2 GLY A 1 6.484 4.871 15.632 1.00 31.11 H new ATOM 0 H3 GLY A 1 6.495 4.610 13.954 1.00 31.11 H new ATOM 0 HA2 GLY A 1 8.780 6.092 14.679 1.00 73.12 H new ATOM 0 HA3 GLY A 1 7.499 6.518 13.562 1.00 73.12 H new ATOM 10 N SER A 2 7.502 8.461 15.327 1.00 4.22 N ATOM 11 CA SER A 2 7.074 9.534 16.198 1.00 40.14 C ATOM 12 C SER A 2 7.031 10.844 15.423 1.00 63.32 C ATOM 13 O SER A 2 7.566 10.936 14.315 1.00 12.24 O ATOM 14 CB SER A 2 8.018 9.651 17.399 1.00 45.11 C ATOM 15 OG SER A 2 7.516 10.562 18.362 1.00 5.33 O ATOM 0 H SER A 2 8.064 8.764 14.531 1.00 4.22 H new ATOM 0 HA SER A 2 6.073 9.313 16.568 1.00 40.14 H new ATOM 0 HB2 SER A 2 8.150 8.671 17.857 1.00 45.11 H new ATOM 0 HB3 SER A 2 9.001 9.980 17.061 1.00 45.11 H new ATOM 0 HG SER A 2 8.138 10.615 19.118 1.00 5.33 H new ATOM 21 N HIS A 3 6.398 11.852 15.998 1.00 72.10 N ATOM 22 CA HIS A 3 6.285 13.146 15.354 1.00 42.24 C ATOM 23 C HIS A 3 6.101 14.250 16.383 1.00 3.43 C ATOM 24 O HIS A 3 5.292 14.126 17.304 1.00 21.40 O ATOM 25 CB HIS A 3 5.130 13.164 14.322 1.00 52.04 C ATOM 26 CG HIS A 3 3.764 12.900 14.895 1.00 11.32 C ATOM 27 ND1 HIS A 3 2.811 13.884 15.057 1.00 22.33 N ATOM 28 CD2 HIS A 3 3.189 11.754 15.330 1.00 20.44 C ATOM 29 CE1 HIS A 3 1.718 13.355 15.566 1.00 75.43 C ATOM 30 NE2 HIS A 3 1.919 12.065 15.742 1.00 31.50 N ATOM 0 H HIS A 3 5.953 11.797 16.914 1.00 72.10 H new ATOM 0 HA HIS A 3 7.216 13.329 14.817 1.00 42.24 H new ATOM 0 HB2 HIS A 3 5.119 14.135 13.828 1.00 52.04 H new ATOM 0 HB3 HIS A 3 5.336 12.418 13.554 1.00 52.04 H new ATOM 0 HD1 HIS A 3 2.934 14.868 14.819 1.00 22.33 H new ATOM 0 HD2 HIS A 3 3.646 10.776 15.349 1.00 20.44 H new ATOM 0 HE1 HIS A 3 0.809 13.889 15.800 1.00 75.43 H new ATOM 39 N MET A 4 6.863 15.317 16.232 1.00 73.42 N ATOM 40 CA MET A 4 6.777 16.455 17.136 1.00 45.52 C ATOM 41 C MET A 4 5.805 17.490 16.596 1.00 62.21 C ATOM 42 O MET A 4 5.352 18.376 17.323 1.00 15.53 O ATOM 43 CB MET A 4 8.157 17.090 17.356 1.00 70.32 C ATOM 44 CG MET A 4 8.787 17.684 16.104 1.00 43.44 C ATOM 45 SD MET A 4 10.397 18.430 16.430 1.00 51.55 S ATOM 46 CE MET A 4 10.874 18.941 14.781 1.00 52.34 C ATOM 0 H MET A 4 7.553 15.422 15.488 1.00 73.42 H new ATOM 0 HA MET A 4 6.410 16.094 18.097 1.00 45.52 H new ATOM 0 HB2 MET A 4 8.066 17.874 18.108 1.00 70.32 H new ATOM 0 HB3 MET A 4 8.830 16.335 17.762 1.00 70.32 H new ATOM 0 HG2 MET A 4 8.897 16.904 15.351 1.00 43.44 H new ATOM 0 HG3 MET A 4 8.119 18.437 15.687 1.00 43.44 H new ATOM 0 HE1 MET A 4 11.852 19.421 14.817 1.00 52.34 H new ATOM 0 HE2 MET A 4 10.922 18.069 14.129 1.00 52.34 H new ATOM 0 HE3 MET A 4 10.139 19.645 14.391 1.00 52.34 H new ATOM 56 N GLY A 5 5.488 17.380 15.318 1.00 74.34 N ATOM 57 CA GLY A 5 4.564 18.299 14.713 1.00 20.11 C ATOM 58 C GLY A 5 3.147 17.781 14.762 1.00 61.20 C ATOM 59 O GLY A 5 2.914 16.580 14.593 1.00 3.45 O ATOM 0 H GLY A 5 5.858 16.666 14.690 1.00 74.34 H new ATOM 0 HA2 GLY A 5 4.618 19.259 15.226 1.00 20.11 H new ATOM 0 HA3 GLY A 5 4.852 18.474 13.676 1.00 20.11 H new ATOM 63 N LYS A 6 2.204 18.665 15.015 1.00 31.42 N ATOM 64 CA LYS A 6 0.800 18.285 15.050 1.00 20.24 C ATOM 65 C LYS A 6 0.218 18.336 13.650 1.00 32.53 C ATOM 66 O LYS A 6 -0.735 17.624 13.329 1.00 72.15 O ATOM 67 CB LYS A 6 0.008 19.206 15.986 1.00 13.31 C ATOM 68 CG LYS A 6 0.483 19.182 17.435 1.00 32.11 C ATOM 69 CD LYS A 6 0.362 17.792 18.053 1.00 44.44 C ATOM 70 CE LYS A 6 -1.087 17.327 18.128 1.00 24.11 C ATOM 71 NZ LYS A 6 -1.926 18.232 18.954 1.00 23.13 N ATOM 0 H LYS A 6 2.381 19.652 15.200 1.00 31.42 H new ATOM 0 HA LYS A 6 0.726 17.267 15.433 1.00 20.24 H new ATOM 0 HB2 LYS A 6 0.071 20.228 15.611 1.00 13.31 H new ATOM 0 HB3 LYS A 6 -1.043 18.920 15.955 1.00 13.31 H new ATOM 0 HG2 LYS A 6 1.521 19.510 17.482 1.00 32.11 H new ATOM 0 HG3 LYS A 6 -0.102 19.891 18.020 1.00 32.11 H new ATOM 0 HD2 LYS A 6 0.941 17.081 17.464 1.00 44.44 H new ATOM 0 HD3 LYS A 6 0.792 17.801 19.054 1.00 44.44 H new ATOM 0 HE2 LYS A 6 -1.501 17.270 17.121 1.00 24.11 H new ATOM 0 HE3 LYS A 6 -1.122 16.321 18.545 1.00 24.11 H new ATOM 0 HZ1 LYS A 6 -2.842 17.778 19.146 1.00 23.13 H new ATOM 0 HZ2 LYS A 6 -1.442 18.429 19.853 1.00 23.13 H new ATOM 0 HZ3 LYS A 6 -2.082 19.124 18.442 1.00 23.13 H new ATOM 85 N GLY A 7 0.805 19.176 12.821 1.00 13.23 N ATOM 86 CA GLY A 7 0.372 19.301 11.458 1.00 54.51 C ATOM 87 C GLY A 7 1.447 18.852 10.498 1.00 31.44 C ATOM 88 O GLY A 7 2.580 19.338 10.554 1.00 74.24 O ATOM 0 H GLY A 7 1.586 19.781 13.076 1.00 13.23 H new ATOM 0 HA2 GLY A 7 -0.528 18.706 11.304 1.00 54.51 H new ATOM 0 HA3 GLY A 7 0.107 20.338 11.252 1.00 54.51 H new ATOM 92 N ASP A 8 1.115 17.912 9.645 1.00 60.40 N ATOM 93 CA ASP A 8 2.057 17.404 8.656 1.00 64.14 C ATOM 94 C ASP A 8 1.476 17.520 7.258 1.00 10.45 C ATOM 95 O ASP A 8 0.260 17.402 7.073 1.00 4.54 O ATOM 96 CB ASP A 8 2.462 15.947 8.964 1.00 0.52 C ATOM 97 CG ASP A 8 1.288 14.991 9.035 1.00 32.35 C ATOM 98 OD1 ASP A 8 0.402 15.194 9.890 1.00 73.53 O ATOM 99 OD2 ASP A 8 1.252 14.020 8.257 1.00 65.33 O ATOM 0 H ASP A 8 0.194 17.476 9.610 1.00 60.40 H new ATOM 0 HA ASP A 8 2.959 18.014 8.706 1.00 64.14 H new ATOM 0 HB2 ASP A 8 3.155 15.602 8.196 1.00 0.52 H new ATOM 0 HB3 ASP A 8 2.998 15.921 9.913 1.00 0.52 H new ATOM 104 N PRO A 9 2.331 17.787 6.257 1.00 22.23 N ATOM 105 CA PRO A 9 1.902 17.941 4.863 1.00 24.20 C ATOM 106 C PRO A 9 1.287 16.664 4.303 1.00 32.11 C ATOM 107 O PRO A 9 1.692 15.560 4.658 1.00 1.23 O ATOM 108 CB PRO A 9 3.204 18.278 4.118 1.00 71.31 C ATOM 109 CG PRO A 9 4.293 17.786 5.006 1.00 72.33 C ATOM 110 CD PRO A 9 3.787 17.962 6.405 1.00 4.41 C ATOM 0 HA PRO A 9 1.128 18.702 4.759 1.00 24.20 H new ATOM 0 HB2 PRO A 9 3.239 17.791 3.143 1.00 71.31 H new ATOM 0 HB3 PRO A 9 3.292 19.350 3.942 1.00 71.31 H new ATOM 0 HG2 PRO A 9 4.522 16.740 4.801 1.00 72.33 H new ATOM 0 HG3 PRO A 9 5.212 18.351 4.848 1.00 72.33 H new ATOM 0 HD2 PRO A 9 4.215 17.225 7.084 1.00 4.41 H new ATOM 0 HD3 PRO A 9 4.037 18.945 6.803 1.00 4.41 H new ATOM 118 N LYS A 10 0.325 16.821 3.413 1.00 0.10 N ATOM 119 CA LYS A 10 -0.351 15.684 2.804 1.00 34.32 C ATOM 120 C LYS A 10 0.280 15.342 1.465 1.00 64.01 C ATOM 121 O LYS A 10 -0.347 14.722 0.605 1.00 4.15 O ATOM 122 CB LYS A 10 -1.845 15.970 2.627 1.00 34.42 C ATOM 123 CG LYS A 10 -2.616 16.099 3.935 1.00 41.44 C ATOM 124 CD LYS A 10 -2.434 14.864 4.809 1.00 35.11 C ATOM 125 CE LYS A 10 -3.398 14.864 5.986 1.00 74.03 C ATOM 126 NZ LYS A 10 -4.813 14.758 5.550 1.00 13.44 N ATOM 0 H LYS A 10 -0.010 17.730 3.092 1.00 0.10 H new ATOM 0 HA LYS A 10 -0.240 14.829 3.471 1.00 34.32 H new ATOM 0 HB2 LYS A 10 -1.962 16.892 2.057 1.00 34.42 H new ATOM 0 HB3 LYS A 10 -2.289 15.170 2.034 1.00 34.42 H new ATOM 0 HG2 LYS A 10 -2.275 16.983 4.475 1.00 41.44 H new ATOM 0 HG3 LYS A 10 -3.675 16.244 3.723 1.00 41.44 H new ATOM 0 HD2 LYS A 10 -2.591 13.967 4.210 1.00 35.11 H new ATOM 0 HD3 LYS A 10 -1.409 14.826 5.178 1.00 35.11 H new ATOM 0 HE2 LYS A 10 -3.160 14.032 6.649 1.00 74.03 H new ATOM 0 HE3 LYS A 10 -3.265 15.779 6.563 1.00 74.03 H new ATOM 0 HZ1 LYS A 10 -5.400 14.442 6.349 1.00 13.44 H new ATOM 0 HZ2 LYS A 10 -5.146 15.687 5.222 1.00 13.44 H new ATOM 0 HZ3 LYS A 10 -4.886 14.070 4.773 1.00 13.44 H new ATOM 140 N LYS A 11 1.526 15.748 1.300 1.00 40.55 N ATOM 141 CA LYS A 11 2.264 15.476 0.085 1.00 4.15 C ATOM 142 C LYS A 11 2.532 13.984 -0.042 1.00 62.12 C ATOM 143 O LYS A 11 2.990 13.349 0.908 1.00 74.31 O ATOM 144 CB LYS A 11 3.593 16.243 0.083 1.00 11.32 C ATOM 145 CG LYS A 11 4.472 15.959 -1.128 1.00 72.20 C ATOM 146 CD LYS A 11 5.787 16.711 -1.049 1.00 34.22 C ATOM 147 CE LYS A 11 6.721 16.326 -2.190 1.00 61.34 C ATOM 148 NZ LYS A 11 7.079 14.881 -2.159 1.00 2.31 N ATOM 0 H LYS A 11 2.050 16.272 2.001 1.00 40.55 H new ATOM 0 HA LYS A 11 1.665 15.806 -0.764 1.00 4.15 H new ATOM 0 HB2 LYS A 11 3.384 17.312 0.124 1.00 11.32 H new ATOM 0 HB3 LYS A 11 4.147 15.992 0.988 1.00 11.32 H new ATOM 0 HG2 LYS A 11 4.667 14.889 -1.194 1.00 72.20 H new ATOM 0 HG3 LYS A 11 3.943 16.243 -2.038 1.00 72.20 H new ATOM 0 HD2 LYS A 11 5.596 17.784 -1.080 1.00 34.22 H new ATOM 0 HD3 LYS A 11 6.271 16.501 -0.095 1.00 34.22 H new ATOM 0 HE2 LYS A 11 6.245 16.561 -3.142 1.00 61.34 H new ATOM 0 HE3 LYS A 11 7.630 16.925 -2.132 1.00 61.34 H new ATOM 0 HZ1 LYS A 11 7.918 14.718 -2.752 1.00 2.31 H new ATOM 0 HZ2 LYS A 11 7.286 14.596 -1.181 1.00 2.31 H new ATOM 0 HZ3 LYS A 11 6.283 14.318 -2.522 1.00 2.31 H new ATOM 162 N PRO A 12 2.226 13.401 -1.198 1.00 24.23 N ATOM 163 CA PRO A 12 2.491 11.994 -1.443 1.00 64.43 C ATOM 164 C PRO A 12 3.983 11.744 -1.650 1.00 24.23 C ATOM 165 O PRO A 12 4.646 12.451 -2.425 1.00 62.10 O ATOM 166 CB PRO A 12 1.710 11.700 -2.726 1.00 71.13 C ATOM 167 CG PRO A 12 1.637 13.008 -3.430 1.00 52.24 C ATOM 168 CD PRO A 12 1.583 14.059 -2.355 1.00 25.51 C ATOM 0 HA PRO A 12 2.196 11.358 -0.608 1.00 64.43 H new ATOM 0 HB2 PRO A 12 2.215 10.950 -3.335 1.00 71.13 H new ATOM 0 HB3 PRO A 12 0.715 11.313 -2.505 1.00 71.13 H new ATOM 0 HG2 PRO A 12 2.505 13.153 -4.073 1.00 52.24 H new ATOM 0 HG3 PRO A 12 0.755 13.058 -4.068 1.00 52.24 H new ATOM 0 HD2 PRO A 12 2.116 14.963 -2.650 1.00 25.51 H new ATOM 0 HD3 PRO A 12 0.557 14.352 -2.131 1.00 25.51 H new ATOM 176 N ARG A 13 4.512 10.765 -0.950 1.00 14.44 N ATOM 177 CA ARG A 13 5.918 10.416 -1.069 1.00 15.25 C ATOM 178 C ARG A 13 6.086 9.276 -2.061 1.00 11.13 C ATOM 179 O ARG A 13 7.208 8.873 -2.390 1.00 71.54 O ATOM 180 CB ARG A 13 6.496 10.028 0.297 1.00 75.35 C ATOM 181 CG ARG A 13 5.898 8.765 0.893 1.00 1.31 C ATOM 182 CD ARG A 13 6.389 8.535 2.311 1.00 73.23 C ATOM 183 NE ARG A 13 5.842 7.304 2.884 1.00 0.21 N ATOM 184 CZ ARG A 13 5.952 6.951 4.169 1.00 2.35 C ATOM 185 NH1 ARG A 13 6.548 7.763 5.043 1.00 35.54 N ATOM 186 NH2 ARG A 13 5.447 5.791 4.580 1.00 74.14 N ATOM 0 H ARG A 13 3.990 10.191 -0.288 1.00 14.44 H new ATOM 0 HA ARG A 13 6.465 11.285 -1.434 1.00 15.25 H new ATOM 0 HB2 ARG A 13 7.573 9.894 0.198 1.00 75.35 H new ATOM 0 HB3 ARG A 13 6.340 10.853 0.992 1.00 75.35 H new ATOM 0 HG2 ARG A 13 4.811 8.839 0.891 1.00 1.31 H new ATOM 0 HG3 ARG A 13 6.160 7.908 0.272 1.00 1.31 H new ATOM 0 HD2 ARG A 13 7.478 8.485 2.315 1.00 73.23 H new ATOM 0 HD3 ARG A 13 6.107 9.383 2.935 1.00 73.23 H new ATOM 0 HE ARG A 13 5.342 6.671 2.259 1.00 0.21 H new ATOM 0 HH11 ARG A 13 6.923 8.659 4.733 1.00 35.54 H new ATOM 0 HH12 ARG A 13 6.629 7.488 6.022 1.00 35.54 H new ATOM 0 HH21 ARG A 13 4.978 5.175 3.916 1.00 74.14 H new ATOM 0 HH22 ARG A 13 5.529 5.518 5.559 1.00 74.14 H new ATOM 200 N GLY A 14 4.962 8.761 -2.530 1.00 3.21 N ATOM 201 CA GLY A 14 4.972 7.685 -3.477 1.00 52.44 C ATOM 202 C GLY A 14 3.692 6.882 -3.429 1.00 20.42 C ATOM 203 O GLY A 14 2.598 7.427 -3.583 1.00 74.52 O ATOM 0 H GLY A 14 4.031 9.080 -2.262 1.00 3.21 H new ATOM 0 HA2 GLY A 14 5.112 8.086 -4.481 1.00 52.44 H new ATOM 0 HA3 GLY A 14 5.820 7.030 -3.274 1.00 52.44 H new ATOM 207 N LYS A 15 3.830 5.605 -3.208 1.00 13.40 N ATOM 208 CA LYS A 15 2.705 4.694 -3.136 1.00 72.14 C ATOM 209 C LYS A 15 3.015 3.634 -2.100 1.00 42.44 C ATOM 210 O LYS A 15 3.897 3.836 -1.255 1.00 14.51 O ATOM 211 CB LYS A 15 2.473 4.048 -4.504 1.00 32.02 C ATOM 212 CG LYS A 15 3.702 3.356 -5.062 1.00 2.52 C ATOM 213 CD LYS A 15 3.378 2.564 -6.309 1.00 54.20 C ATOM 214 CE LYS A 15 4.605 1.849 -6.833 1.00 61.40 C ATOM 215 NZ LYS A 15 5.249 1.015 -5.786 1.00 41.32 N ATOM 0 H LYS A 15 4.735 5.155 -3.070 1.00 13.40 H new ATOM 0 HA LYS A 15 1.800 5.232 -2.853 1.00 72.14 H new ATOM 0 HB2 LYS A 15 1.663 3.323 -4.422 1.00 32.02 H new ATOM 0 HB3 LYS A 15 2.146 4.813 -5.208 1.00 32.02 H new ATOM 0 HG2 LYS A 15 4.466 4.099 -5.291 1.00 2.52 H new ATOM 0 HG3 LYS A 15 4.120 2.691 -4.306 1.00 2.52 H new ATOM 0 HD2 LYS A 15 2.596 1.837 -6.089 1.00 54.20 H new ATOM 0 HD3 LYS A 15 2.987 3.232 -7.076 1.00 54.20 H new ATOM 0 HE2 LYS A 15 4.325 1.219 -7.678 1.00 61.40 H new ATOM 0 HE3 LYS A 15 5.321 2.582 -7.205 1.00 61.40 H new ATOM 0 HZ1 LYS A 15 5.521 0.097 -6.192 1.00 41.32 H new ATOM 0 HZ2 LYS A 15 6.096 1.500 -5.428 1.00 41.32 H new ATOM 0 HZ3 LYS A 15 4.581 0.863 -5.004 1.00 41.32 H new ATOM 229 N MET A 16 2.314 2.497 -2.137 1.00 14.22 N ATOM 230 CA MET A 16 2.577 1.401 -1.236 1.00 42.22 C ATOM 231 C MET A 16 3.723 0.571 -1.792 1.00 14.41 C ATOM 232 O MET A 16 4.036 0.658 -2.987 1.00 2.01 O ATOM 233 CB MET A 16 1.322 0.532 -1.089 1.00 11.12 C ATOM 234 CG MET A 16 0.070 1.315 -0.715 1.00 43.02 C ATOM 235 SD MET A 16 -1.416 0.291 -0.670 1.00 51.34 S ATOM 236 CE MET A 16 -1.030 -0.796 0.690 1.00 33.03 C ATOM 0 H MET A 16 1.554 2.323 -2.794 1.00 14.22 H new ATOM 0 HA MET A 16 2.848 1.789 -0.254 1.00 42.22 H new ATOM 0 HB2 MET A 16 1.144 0.007 -2.027 1.00 11.12 H new ATOM 0 HB3 MET A 16 1.505 -0.227 -0.329 1.00 11.12 H new ATOM 0 HG2 MET A 16 0.216 1.777 0.261 1.00 43.02 H new ATOM 0 HG3 MET A 16 -0.074 2.123 -1.432 1.00 43.02 H new ATOM 0 HE1 MET A 16 -0.867 -1.806 0.314 1.00 33.03 H new ATOM 0 HE2 MET A 16 -0.128 -0.446 1.191 1.00 33.03 H new ATOM 0 HE3 MET A 16 -1.859 -0.802 1.398 1.00 33.03 H new ATOM 246 N SER A 17 4.343 -0.233 -0.949 1.00 51.12 N ATOM 247 CA SER A 17 5.464 -1.045 -1.375 1.00 54.35 C ATOM 248 C SER A 17 4.949 -2.319 -2.060 1.00 41.31 C ATOM 249 O SER A 17 3.748 -2.612 -2.014 1.00 65.13 O ATOM 250 CB SER A 17 6.328 -1.401 -0.164 1.00 42.20 C ATOM 251 OG SER A 17 6.639 -0.239 0.593 1.00 70.31 O ATOM 0 H SER A 17 4.089 -0.340 0.033 1.00 51.12 H new ATOM 0 HA SER A 17 6.071 -0.486 -2.088 1.00 54.35 H new ATOM 0 HB2 SER A 17 5.803 -2.120 0.464 1.00 42.20 H new ATOM 0 HB3 SER A 17 7.248 -1.881 -0.497 1.00 42.20 H new ATOM 0 HG SER A 17 7.191 -0.489 1.364 1.00 70.31 H new ATOM 257 N SER A 18 5.843 -3.082 -2.666 1.00 73.55 N ATOM 258 CA SER A 18 5.456 -4.308 -3.345 1.00 71.42 C ATOM 259 C SER A 18 4.988 -5.350 -2.343 1.00 73.45 C ATOM 260 O SER A 18 4.016 -6.070 -2.589 1.00 34.23 O ATOM 261 CB SER A 18 6.609 -4.834 -4.191 1.00 21.55 C ATOM 262 OG SER A 18 7.028 -3.844 -5.117 1.00 12.14 O ATOM 0 H SER A 18 6.841 -2.875 -2.702 1.00 73.55 H new ATOM 0 HA SER A 18 4.622 -4.089 -4.012 1.00 71.42 H new ATOM 0 HB2 SER A 18 7.442 -5.117 -3.548 1.00 21.55 H new ATOM 0 HB3 SER A 18 6.298 -5.733 -4.724 1.00 21.55 H new ATOM 0 HG SER A 18 7.917 -4.073 -5.461 1.00 12.14 H new ATOM 268 N TYR A 19 5.684 -5.428 -1.210 1.00 14.14 N ATOM 269 CA TYR A 19 5.295 -6.306 -0.115 1.00 21.45 C ATOM 270 C TYR A 19 3.844 -6.046 0.303 1.00 61.41 C ATOM 271 O TYR A 19 3.097 -6.975 0.591 1.00 32.45 O ATOM 272 CB TYR A 19 6.249 -6.086 1.069 1.00 41.54 C ATOM 273 CG TYR A 19 5.793 -6.696 2.376 1.00 31.24 C ATOM 274 CD1 TYR A 19 5.750 -8.071 2.552 1.00 41.33 C ATOM 275 CD2 TYR A 19 5.410 -5.888 3.438 1.00 33.40 C ATOM 276 CE1 TYR A 19 5.337 -8.622 3.748 1.00 32.52 C ATOM 277 CE2 TYR A 19 4.999 -6.430 4.636 1.00 14.33 C ATOM 278 CZ TYR A 19 4.964 -7.796 4.787 1.00 34.30 C ATOM 279 OH TYR A 19 4.554 -8.340 5.981 1.00 54.24 O ATOM 0 H TYR A 19 6.529 -4.886 -1.029 1.00 14.14 H new ATOM 0 HA TYR A 19 5.362 -7.343 -0.445 1.00 21.45 H new ATOM 0 HB2 TYR A 19 7.224 -6.499 0.813 1.00 41.54 H new ATOM 0 HB3 TYR A 19 6.385 -5.014 1.213 1.00 41.54 H new ATOM 0 HD1 TYR A 19 6.044 -8.720 1.741 1.00 41.33 H new ATOM 0 HD2 TYR A 19 5.435 -4.814 3.323 1.00 33.40 H new ATOM 0 HE1 TYR A 19 5.306 -9.695 3.869 1.00 32.52 H new ATOM 0 HE2 TYR A 19 4.706 -5.786 5.452 1.00 14.33 H new ATOM 0 HH TYR A 19 4.328 -7.621 6.607 1.00 54.24 H new ATOM 289 N ALA A 20 3.457 -4.780 0.308 1.00 55.41 N ATOM 290 CA ALA A 20 2.105 -4.399 0.679 1.00 52.10 C ATOM 291 C ALA A 20 1.088 -4.927 -0.327 1.00 10.43 C ATOM 292 O ALA A 20 0.047 -5.460 0.056 1.00 73.13 O ATOM 293 CB ALA A 20 1.994 -2.897 0.817 1.00 13.43 C ATOM 0 H ALA A 20 4.062 -3.998 0.059 1.00 55.41 H new ATOM 0 HA ALA A 20 1.882 -4.850 1.646 1.00 52.10 H new ATOM 0 HB1 ALA A 20 0.974 -2.632 1.095 1.00 13.43 H new ATOM 0 HB2 ALA A 20 2.682 -2.551 1.588 1.00 13.43 H new ATOM 0 HB3 ALA A 20 2.246 -2.425 -0.133 1.00 13.43 H new ATOM 299 N PHE A 21 1.398 -4.784 -1.620 1.00 14.53 N ATOM 300 CA PHE A 21 0.521 -5.291 -2.679 1.00 14.41 C ATOM 301 C PHE A 21 0.349 -6.802 -2.548 1.00 54.42 C ATOM 302 O PHE A 21 -0.717 -7.353 -2.837 1.00 10.34 O ATOM 303 CB PHE A 21 1.078 -4.948 -4.069 1.00 34.31 C ATOM 304 CG PHE A 21 1.182 -3.472 -4.347 1.00 40.25 C ATOM 305 CD1 PHE A 21 0.149 -2.612 -4.009 1.00 61.20 C ATOM 306 CD2 PHE A 21 2.318 -2.945 -4.943 1.00 73.55 C ATOM 307 CE1 PHE A 21 0.246 -1.258 -4.261 1.00 70.55 C ATOM 308 CE2 PHE A 21 2.420 -1.591 -5.196 1.00 0.52 C ATOM 309 CZ PHE A 21 1.383 -0.747 -4.855 1.00 31.14 C ATOM 0 H PHE A 21 2.244 -4.324 -1.956 1.00 14.53 H new ATOM 0 HA PHE A 21 -0.451 -4.809 -2.569 1.00 14.41 H new ATOM 0 HB2 PHE A 21 2.066 -5.396 -4.172 1.00 34.31 H new ATOM 0 HB3 PHE A 21 0.440 -5.405 -4.826 1.00 34.31 H new ATOM 0 HD1 PHE A 21 -0.742 -3.006 -3.543 1.00 61.20 H new ATOM 0 HD2 PHE A 21 3.132 -3.601 -5.212 1.00 73.55 H new ATOM 0 HE1 PHE A 21 -0.567 -0.599 -3.994 1.00 70.55 H new ATOM 0 HE2 PHE A 21 3.310 -1.193 -5.660 1.00 0.52 H new ATOM 0 HZ PHE A 21 1.461 0.312 -5.052 1.00 31.14 H new ATOM 319 N PHE A 22 1.400 -7.456 -2.099 1.00 61.14 N ATOM 320 CA PHE A 22 1.392 -8.890 -1.888 1.00 23.11 C ATOM 321 C PHE A 22 0.434 -9.264 -0.753 1.00 25.02 C ATOM 322 O PHE A 22 -0.393 -10.167 -0.895 1.00 10.20 O ATOM 323 CB PHE A 22 2.818 -9.365 -1.577 1.00 34.11 C ATOM 324 CG PHE A 22 2.940 -10.820 -1.228 1.00 63.42 C ATOM 325 CD1 PHE A 22 2.523 -11.800 -2.112 1.00 21.32 C ATOM 326 CD2 PHE A 22 3.482 -11.205 -0.014 1.00 64.15 C ATOM 327 CE1 PHE A 22 2.643 -13.136 -1.793 1.00 34.53 C ATOM 328 CE2 PHE A 22 3.607 -12.538 0.310 1.00 70.20 C ATOM 329 CZ PHE A 22 3.187 -13.505 -0.580 1.00 14.33 C ATOM 0 H PHE A 22 2.287 -7.007 -1.869 1.00 61.14 H new ATOM 0 HA PHE A 22 1.041 -9.384 -2.794 1.00 23.11 H new ATOM 0 HB2 PHE A 22 3.450 -9.160 -2.441 1.00 34.11 H new ATOM 0 HB3 PHE A 22 3.209 -8.774 -0.749 1.00 34.11 H new ATOM 0 HD1 PHE A 22 2.098 -11.515 -3.063 1.00 21.32 H new ATOM 0 HD2 PHE A 22 3.811 -10.452 0.687 1.00 64.15 H new ATOM 0 HE1 PHE A 22 2.312 -13.891 -2.490 1.00 34.53 H new ATOM 0 HE2 PHE A 22 4.033 -12.826 1.260 1.00 70.20 H new ATOM 0 HZ PHE A 22 3.284 -14.551 -0.327 1.00 14.33 H new ATOM 339 N VAL A 23 0.533 -8.541 0.353 1.00 24.04 N ATOM 340 CA VAL A 23 -0.292 -8.802 1.531 1.00 51.25 C ATOM 341 C VAL A 23 -1.779 -8.490 1.281 1.00 63.30 C ATOM 342 O VAL A 23 -2.658 -9.120 1.873 1.00 63.41 O ATOM 343 CB VAL A 23 0.213 -7.996 2.761 1.00 74.24 C ATOM 344 CG1 VAL A 23 -0.634 -8.282 3.994 1.00 25.41 C ATOM 345 CG2 VAL A 23 1.672 -8.315 3.042 1.00 35.41 C ATOM 0 H VAL A 23 1.182 -7.761 0.463 1.00 24.04 H new ATOM 0 HA VAL A 23 -0.201 -9.868 1.741 1.00 51.25 H new ATOM 0 HB VAL A 23 0.121 -6.936 2.526 1.00 74.24 H new ATOM 0 HG11 VAL A 23 -0.256 -7.704 4.837 1.00 25.41 H new ATOM 0 HG12 VAL A 23 -1.669 -8.003 3.797 1.00 25.41 H new ATOM 0 HG13 VAL A 23 -0.584 -9.345 4.231 1.00 25.41 H new ATOM 0 HG21 VAL A 23 2.010 -7.743 3.906 1.00 35.41 H new ATOM 0 HG22 VAL A 23 1.778 -9.380 3.248 1.00 35.41 H new ATOM 0 HG23 VAL A 23 2.276 -8.052 2.174 1.00 35.41 H new ATOM 355 N GLN A 24 -2.059 -7.564 0.373 1.00 32.31 N ATOM 356 CA GLN A 24 -3.446 -7.172 0.118 1.00 62.12 C ATOM 357 C GLN A 24 -4.107 -8.116 -0.878 1.00 11.05 C ATOM 358 O GLN A 24 -5.330 -8.264 -0.894 1.00 35.10 O ATOM 359 CB GLN A 24 -3.540 -5.717 -0.360 1.00 41.22 C ATOM 360 CG GLN A 24 -2.938 -5.464 -1.729 1.00 32.31 C ATOM 361 CD GLN A 24 -2.934 -3.993 -2.112 1.00 62.32 C ATOM 362 OE1 GLN A 24 -2.802 -3.118 -1.129 1.00 42.00 O flip ATOM 363 NE2 GLN A 24 -3.037 -3.647 -3.292 1.00 33.12 N flip ATOM 0 H GLN A 24 -1.363 -7.077 -0.191 1.00 32.31 H new ATOM 0 HA GLN A 24 -3.986 -7.244 1.062 1.00 62.12 H new ATOM 0 HB2 GLN A 24 -4.589 -5.421 -0.378 1.00 41.22 H new ATOM 0 HB3 GLN A 24 -3.040 -5.076 0.367 1.00 41.22 H new ATOM 0 HG2 GLN A 24 -1.915 -5.841 -1.746 1.00 32.31 H new ATOM 0 HG3 GLN A 24 -3.498 -6.027 -2.476 1.00 32.31 H new ATOM 0 HE21 GLN A 24 -3.137 -4.351 -4.023 1.00 33.12 H new ATOM 0 HE22 GLN A 24 -3.022 -2.657 -3.536 1.00 33.12 H new ATOM 372 N THR A 25 -3.298 -8.764 -1.688 1.00 34.13 N ATOM 373 CA THR A 25 -3.800 -9.722 -2.648 1.00 24.13 C ATOM 374 C THR A 25 -3.953 -11.080 -1.975 1.00 53.43 C ATOM 375 O THR A 25 -5.001 -11.714 -2.067 1.00 20.43 O ATOM 376 CB THR A 25 -2.855 -9.830 -3.862 1.00 73.00 C ATOM 377 OG1 THR A 25 -2.641 -8.522 -4.418 1.00 44.30 O ATOM 378 CG2 THR A 25 -3.444 -10.737 -4.933 1.00 52.22 C ATOM 0 H THR A 25 -2.285 -8.644 -1.700 1.00 34.13 H new ATOM 0 HA THR A 25 -4.772 -9.384 -3.008 1.00 24.13 H new ATOM 0 HB THR A 25 -1.910 -10.257 -3.525 1.00 73.00 H new ATOM 0 HG1 THR A 25 -1.896 -8.087 -3.954 1.00 44.30 H new ATOM 0 HG21 THR A 25 -2.758 -10.796 -5.778 1.00 52.22 H new ATOM 0 HG22 THR A 25 -3.598 -11.734 -4.521 1.00 52.22 H new ATOM 0 HG23 THR A 25 -4.399 -10.332 -5.269 1.00 52.22 H new ATOM 386 N CYS A 26 -2.876 -11.519 -1.333 1.00 62.02 N ATOM 387 CA CYS A 26 -2.832 -12.758 -0.534 1.00 60.44 C ATOM 388 C CYS A 26 -4.160 -13.021 0.226 1.00 33.03 C ATOM 389 O CYS A 26 -4.662 -14.148 0.241 1.00 2.31 O ATOM 390 CB CYS A 26 -1.670 -12.641 0.462 1.00 65.41 C ATOM 391 SG CYS A 26 -1.172 -14.183 1.285 1.00 73.42 S ATOM 0 H CYS A 26 -1.986 -11.020 -1.348 1.00 62.02 H new ATOM 0 HA CYS A 26 -2.687 -13.602 -1.208 1.00 60.44 H new ATOM 0 HB2 CYS A 26 -0.805 -12.237 -0.064 1.00 65.41 H new ATOM 0 HB3 CYS A 26 -1.945 -11.916 1.228 1.00 65.41 H new ATOM 396 N ARG A 27 -4.723 -11.973 0.844 1.00 74.33 N ATOM 397 CA ARG A 27 -5.997 -12.091 1.578 1.00 74.32 C ATOM 398 C ARG A 27 -7.123 -12.553 0.671 1.00 11.52 C ATOM 399 O ARG A 27 -7.863 -13.478 1.010 1.00 3.31 O ATOM 400 CB ARG A 27 -6.385 -10.752 2.219 1.00 34.25 C ATOM 401 CG ARG A 27 -5.961 -10.585 3.676 1.00 63.53 C ATOM 402 CD ARG A 27 -4.452 -10.623 3.850 1.00 64.11 C ATOM 403 NE ARG A 27 -3.918 -11.981 3.756 1.00 30.35 N ATOM 404 CZ ARG A 27 -2.740 -12.347 4.227 1.00 21.42 C ATOM 405 NH1 ARG A 27 -1.914 -11.434 4.731 1.00 34.14 N ATOM 406 NH2 ARG A 27 -2.374 -13.622 4.179 1.00 43.10 N ATOM 0 H ARG A 27 -4.320 -11.036 0.852 1.00 74.33 H new ATOM 0 HA ARG A 27 -5.846 -12.837 2.358 1.00 74.32 H new ATOM 0 HB2 ARG A 27 -5.944 -9.945 1.634 1.00 34.25 H new ATOM 0 HB3 ARG A 27 -7.467 -10.637 2.156 1.00 34.25 H new ATOM 0 HG2 ARG A 27 -6.344 -9.638 4.056 1.00 63.53 H new ATOM 0 HG3 ARG A 27 -6.413 -11.375 4.276 1.00 63.53 H new ATOM 0 HD2 ARG A 27 -3.985 -9.997 3.089 1.00 64.11 H new ATOM 0 HD3 ARG A 27 -4.189 -10.197 4.818 1.00 64.11 H new ATOM 0 HE ARG A 27 -4.491 -12.690 3.298 1.00 30.35 H new ATOM 0 HH11 ARG A 27 -2.191 -10.453 4.753 1.00 34.14 H new ATOM 0 HH12 ARG A 27 -1.004 -11.715 5.095 1.00 34.14 H new ATOM 0 HH21 ARG A 27 -3.003 -14.318 3.778 1.00 43.10 H new ATOM 0 HH22 ARG A 27 -1.464 -13.905 4.543 1.00 43.10 H new ATOM 420 N GLU A 28 -7.236 -11.916 -0.483 1.00 43.41 N ATOM 421 CA GLU A 28 -8.291 -12.223 -1.428 1.00 54.31 C ATOM 422 C GLU A 28 -8.206 -13.669 -1.895 1.00 71.13 C ATOM 423 O GLU A 28 -9.225 -14.345 -1.999 1.00 32.24 O ATOM 424 CB GLU A 28 -8.243 -11.269 -2.627 1.00 1.25 C ATOM 425 CG GLU A 28 -9.343 -11.512 -3.650 1.00 31.11 C ATOM 426 CD GLU A 28 -9.323 -10.512 -4.781 1.00 0.14 C ATOM 427 OE1 GLU A 28 -8.530 -10.692 -5.727 1.00 53.43 O ATOM 428 OE2 GLU A 28 -10.109 -9.547 -4.737 1.00 31.04 O ATOM 0 H GLU A 28 -6.602 -11.177 -0.787 1.00 43.41 H new ATOM 0 HA GLU A 28 -9.244 -12.087 -0.917 1.00 54.31 H new ATOM 0 HB2 GLU A 28 -8.316 -10.243 -2.266 1.00 1.25 H new ATOM 0 HB3 GLU A 28 -7.275 -11.366 -3.118 1.00 1.25 H new ATOM 0 HG2 GLU A 28 -9.237 -12.517 -4.058 1.00 31.11 H new ATOM 0 HG3 GLU A 28 -10.312 -11.470 -3.152 1.00 31.11 H new ATOM 435 N GLU A 29 -6.982 -14.158 -2.132 1.00 53.33 N ATOM 436 CA GLU A 29 -6.780 -15.526 -2.611 1.00 33.31 C ATOM 437 C GLU A 29 -7.311 -16.530 -1.605 1.00 22.44 C ATOM 438 O GLU A 29 -7.975 -17.504 -1.971 1.00 42.41 O ATOM 439 CB GLU A 29 -5.295 -15.811 -2.845 1.00 73.52 C ATOM 440 CG GLU A 29 -4.643 -14.969 -3.922 1.00 14.10 C ATOM 441 CD GLU A 29 -3.219 -15.403 -4.183 1.00 61.52 C ATOM 442 OE1 GLU A 29 -3.016 -16.361 -4.963 1.00 53.01 O ATOM 443 OE2 GLU A 29 -2.291 -14.810 -3.594 1.00 73.51 O ATOM 0 H GLU A 29 -6.121 -13.627 -2.000 1.00 53.33 H new ATOM 0 HA GLU A 29 -7.322 -15.623 -3.552 1.00 33.31 H new ATOM 0 HB2 GLU A 29 -4.759 -15.655 -1.909 1.00 73.52 H new ATOM 0 HB3 GLU A 29 -5.179 -16.863 -3.107 1.00 73.52 H new ATOM 0 HG2 GLU A 29 -5.221 -15.044 -4.843 1.00 14.10 H new ATOM 0 HG3 GLU A 29 -4.655 -13.921 -3.622 1.00 14.10 H new ATOM 450 N HIS A 30 -7.011 -16.292 -0.334 1.00 34.44 N ATOM 451 CA HIS A 30 -7.432 -17.189 0.724 1.00 13.31 C ATOM 452 C HIS A 30 -8.943 -17.139 0.911 1.00 15.32 C ATOM 453 O HIS A 30 -9.572 -18.162 1.142 1.00 44.00 O ATOM 454 CB HIS A 30 -6.717 -16.853 2.037 1.00 34.01 C ATOM 455 CG HIS A 30 -6.727 -17.977 3.034 1.00 5.21 C ATOM 456 ND1 HIS A 30 -5.645 -18.804 3.241 1.00 3.21 N ATOM 457 CD2 HIS A 30 -7.692 -18.410 3.881 1.00 3.41 C ATOM 458 CE1 HIS A 30 -5.942 -19.694 4.163 1.00 54.00 C ATOM 459 NE2 HIS A 30 -7.175 -19.477 4.568 1.00 43.02 N ATOM 0 H HIS A 30 -6.477 -15.483 -0.015 1.00 34.44 H new ATOM 0 HA HIS A 30 -7.158 -18.203 0.433 1.00 13.31 H new ATOM 0 HB2 HIS A 30 -5.684 -16.581 1.819 1.00 34.01 H new ATOM 0 HB3 HIS A 30 -7.189 -15.978 2.484 1.00 34.01 H new ATOM 0 HD2 HIS A 30 -8.682 -17.993 3.993 1.00 3.41 H new ATOM 0 HE1 HIS A 30 -5.285 -20.471 4.526 1.00 54.00 H new ATOM 0 HE2 HIS A 30 -7.667 -20.017 5.280 1.00 43.02 H new ATOM 468 N LYS A 31 -9.516 -15.943 0.800 1.00 72.44 N ATOM 469 CA LYS A 31 -10.965 -15.773 0.946 1.00 11.44 C ATOM 470 C LYS A 31 -11.724 -16.468 -0.177 1.00 13.35 C ATOM 471 O LYS A 31 -12.905 -16.781 -0.039 1.00 22.13 O ATOM 472 CB LYS A 31 -11.345 -14.297 1.012 1.00 1.45 C ATOM 473 CG LYS A 31 -10.915 -13.616 2.295 1.00 64.34 C ATOM 474 CD LYS A 31 -11.412 -12.187 2.353 1.00 44.21 C ATOM 475 CE LYS A 31 -11.052 -11.532 3.670 1.00 60.23 C ATOM 476 NZ LYS A 31 -11.574 -10.148 3.764 1.00 24.03 N ATOM 0 H LYS A 31 -9.006 -15.080 0.611 1.00 72.44 H new ATOM 0 HA LYS A 31 -11.251 -16.242 1.888 1.00 11.44 H new ATOM 0 HB2 LYS A 31 -10.895 -13.777 0.166 1.00 1.45 H new ATOM 0 HB3 LYS A 31 -12.426 -14.204 0.906 1.00 1.45 H new ATOM 0 HG2 LYS A 31 -11.299 -14.172 3.150 1.00 64.34 H new ATOM 0 HG3 LYS A 31 -9.828 -13.628 2.369 1.00 64.34 H new ATOM 0 HD2 LYS A 31 -10.981 -11.616 1.531 1.00 44.21 H new ATOM 0 HD3 LYS A 31 -12.494 -12.170 2.220 1.00 44.21 H new ATOM 0 HE2 LYS A 31 -11.452 -12.127 4.492 1.00 60.23 H new ATOM 0 HE3 LYS A 31 -9.968 -11.519 3.784 1.00 60.23 H new ATOM 0 HZ1 LYS A 31 -11.305 -9.737 4.681 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -11.173 -9.573 2.996 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -12.611 -10.162 3.682 1.00 24.03 H new ATOM 490 N LYS A 32 -11.047 -16.683 -1.287 1.00 52.11 N ATOM 491 CA LYS A 32 -11.654 -17.400 -2.403 1.00 53.15 C ATOM 492 C LYS A 32 -11.976 -18.836 -1.992 1.00 72.20 C ATOM 493 O LYS A 32 -13.027 -19.373 -2.334 1.00 73.51 O ATOM 494 CB LYS A 32 -10.733 -17.404 -3.632 1.00 40.23 C ATOM 495 CG LYS A 32 -10.381 -16.026 -4.200 1.00 43.34 C ATOM 496 CD LYS A 32 -11.614 -15.226 -4.608 1.00 3.32 C ATOM 497 CE LYS A 32 -12.116 -14.342 -3.471 1.00 33.25 C ATOM 498 NZ LYS A 32 -13.346 -13.604 -3.839 1.00 22.52 N ATOM 0 H LYS A 32 -10.087 -16.378 -1.445 1.00 52.11 H new ATOM 0 HA LYS A 32 -12.576 -16.884 -2.671 1.00 53.15 H new ATOM 0 HB2 LYS A 32 -9.807 -17.916 -3.368 1.00 40.23 H new ATOM 0 HB3 LYS A 32 -11.209 -17.990 -4.418 1.00 40.23 H new ATOM 0 HG2 LYS A 32 -9.818 -15.463 -3.455 1.00 43.34 H new ATOM 0 HG3 LYS A 32 -9.730 -16.150 -5.066 1.00 43.34 H new ATOM 0 HD2 LYS A 32 -11.376 -14.606 -5.472 1.00 3.32 H new ATOM 0 HD3 LYS A 32 -12.406 -15.909 -4.914 1.00 3.32 H new ATOM 0 HE2 LYS A 32 -12.312 -14.958 -2.593 1.00 33.25 H new ATOM 0 HE3 LYS A 32 -11.337 -13.632 -3.194 1.00 33.25 H new ATOM 0 HZ1 LYS A 32 -13.651 -13.016 -3.037 1.00 22.52 H new ATOM 0 HZ2 LYS A 32 -13.153 -12.996 -4.660 1.00 22.52 H new ATOM 0 HZ3 LYS A 32 -14.098 -14.281 -4.078 1.00 22.52 H new ATOM 512 N LYS A 33 -11.068 -19.444 -1.244 1.00 52.25 N ATOM 513 CA LYS A 33 -11.239 -20.820 -0.798 1.00 55.10 C ATOM 514 C LYS A 33 -11.853 -20.878 0.602 1.00 32.12 C ATOM 515 O LYS A 33 -12.460 -21.878 0.982 1.00 44.45 O ATOM 516 CB LYS A 33 -9.897 -21.546 -0.814 1.00 61.33 C ATOM 517 CG LYS A 33 -9.231 -21.571 -2.183 1.00 35.21 C ATOM 518 CD LYS A 33 -7.893 -22.296 -2.147 1.00 34.40 C ATOM 519 CE LYS A 33 -8.058 -23.750 -1.739 1.00 24.12 C ATOM 520 NZ LYS A 33 -6.775 -24.485 -1.781 1.00 2.22 N ATOM 0 H LYS A 33 -10.202 -19.005 -0.932 1.00 52.25 H new ATOM 0 HA LYS A 33 -11.924 -21.316 -1.486 1.00 55.10 H new ATOM 0 HB2 LYS A 33 -9.226 -21.066 -0.102 1.00 61.33 H new ATOM 0 HB3 LYS A 33 -10.044 -22.571 -0.473 1.00 61.33 H new ATOM 0 HG2 LYS A 33 -9.891 -22.061 -2.899 1.00 35.21 H new ATOM 0 HG3 LYS A 33 -9.082 -20.550 -2.533 1.00 35.21 H new ATOM 0 HD2 LYS A 33 -7.423 -22.244 -3.129 1.00 34.40 H new ATOM 0 HD3 LYS A 33 -7.225 -21.794 -1.447 1.00 34.40 H new ATOM 0 HE2 LYS A 33 -8.472 -23.799 -0.732 1.00 24.12 H new ATOM 0 HE3 LYS A 33 -8.775 -24.234 -2.402 1.00 24.12 H new ATOM 0 HZ1 LYS A 33 -6.931 -25.473 -1.496 1.00 2.22 H new ATOM 0 HZ2 LYS A 33 -6.392 -24.460 -2.748 1.00 2.22 H new ATOM 0 HZ3 LYS A 33 -6.098 -24.039 -1.129 1.00 2.22 H new ATOM 534 N HIS A 34 -11.686 -19.810 1.361 1.00 70.13 N ATOM 535 CA HIS A 34 -12.218 -19.719 2.718 1.00 2.34 C ATOM 536 C HIS A 34 -12.684 -18.296 2.984 1.00 1.32 C ATOM 537 O HIS A 34 -11.905 -17.453 3.430 1.00 5.41 O ATOM 538 CB HIS A 34 -11.171 -20.129 3.764 1.00 12.03 C ATOM 539 CG HIS A 34 -10.778 -21.572 3.713 1.00 65.52 C ATOM 540 ND1 HIS A 34 -11.547 -22.581 4.245 1.00 34.01 N ATOM 541 CD2 HIS A 34 -9.689 -22.173 3.186 1.00 41.42 C ATOM 542 CE1 HIS A 34 -10.949 -23.737 4.048 1.00 23.23 C ATOM 543 NE2 HIS A 34 -9.820 -23.519 3.407 1.00 21.42 N ATOM 0 H HIS A 34 -11.178 -18.979 1.058 1.00 70.13 H new ATOM 0 HA HIS A 34 -13.058 -20.408 2.801 1.00 2.34 H new ATOM 0 HB2 HIS A 34 -10.279 -19.517 3.627 1.00 12.03 H new ATOM 0 HB3 HIS A 34 -11.561 -19.906 4.757 1.00 12.03 H new ATOM 0 HD2 HIS A 34 -8.868 -21.684 2.684 1.00 41.42 H new ATOM 0 HE1 HIS A 34 -11.322 -24.702 4.360 1.00 23.23 H new ATOM 0 HE2 HIS A 34 -9.152 -24.235 3.122 1.00 21.42 H new ATOM 552 N PRO A 35 -13.955 -18.008 2.692 1.00 31.14 N ATOM 553 CA PRO A 35 -14.503 -16.658 2.805 1.00 41.22 C ATOM 554 C PRO A 35 -14.767 -16.190 4.243 1.00 42.43 C ATOM 555 O PRO A 35 -14.332 -15.106 4.630 1.00 3.04 O ATOM 556 CB PRO A 35 -15.812 -16.742 2.019 1.00 21.43 C ATOM 557 CG PRO A 35 -16.223 -18.173 2.104 1.00 4.30 C ATOM 558 CD PRO A 35 -14.955 -18.979 2.204 1.00 62.30 C ATOM 0 HA PRO A 35 -13.791 -15.923 2.428 1.00 41.22 H new ATOM 0 HB2 PRO A 35 -16.572 -16.087 2.446 1.00 21.43 H new ATOM 0 HB3 PRO A 35 -15.671 -16.433 0.983 1.00 21.43 H new ATOM 0 HG2 PRO A 35 -16.859 -18.342 2.973 1.00 4.30 H new ATOM 0 HG3 PRO A 35 -16.799 -18.464 1.225 1.00 4.30 H new ATOM 0 HD2 PRO A 35 -15.067 -19.817 2.892 1.00 62.30 H new ATOM 0 HD3 PRO A 35 -14.669 -19.396 1.238 1.00 62.30 H new ATOM 566 N ASP A 36 -15.449 -17.005 5.037 1.00 42.32 N ATOM 567 CA ASP A 36 -15.856 -16.583 6.383 1.00 11.43 C ATOM 568 C ASP A 36 -15.146 -17.404 7.455 1.00 4.24 C ATOM 569 O ASP A 36 -15.464 -17.317 8.637 1.00 43.03 O ATOM 570 CB ASP A 36 -17.381 -16.717 6.530 1.00 53.12 C ATOM 571 CG ASP A 36 -17.918 -16.123 7.821 1.00 50.40 C ATOM 572 OD1 ASP A 36 -17.998 -14.881 7.918 1.00 73.00 O ATOM 573 OD2 ASP A 36 -18.268 -16.894 8.743 1.00 40.53 O ATOM 0 H ASP A 36 -15.732 -17.951 4.783 1.00 42.32 H new ATOM 0 HA ASP A 36 -15.571 -15.540 6.518 1.00 11.43 H new ATOM 0 HB2 ASP A 36 -17.864 -16.227 5.685 1.00 53.12 H new ATOM 0 HB3 ASP A 36 -17.652 -17.772 6.484 1.00 53.12 H new ATOM 578 N ALA A 37 -14.168 -18.179 7.047 1.00 51.21 N ATOM 579 CA ALA A 37 -13.474 -19.062 7.970 1.00 0.25 C ATOM 580 C ALA A 37 -12.468 -18.321 8.848 1.00 55.42 C ATOM 581 O ALA A 37 -11.260 -18.488 8.678 1.00 43.24 O ATOM 582 CB ALA A 37 -12.789 -20.188 7.216 1.00 44.33 C ATOM 0 H ALA A 37 -13.832 -18.220 6.085 1.00 51.21 H new ATOM 0 HA ALA A 37 -14.229 -19.481 8.635 1.00 0.25 H new ATOM 0 HB1 ALA A 37 -12.275 -20.839 7.923 1.00 44.33 H new ATOM 0 HB2 ALA A 37 -13.534 -20.765 6.668 1.00 44.33 H new ATOM 0 HB3 ALA A 37 -12.066 -19.770 6.516 1.00 44.33 H new ATOM 588 N SER A 38 -12.981 -17.516 9.797 1.00 71.10 N ATOM 589 CA SER A 38 -12.167 -16.763 10.765 1.00 71.34 C ATOM 590 C SER A 38 -10.870 -16.220 10.155 1.00 24.03 C ATOM 591 O SER A 38 -9.774 -16.650 10.519 1.00 62.35 O ATOM 592 CB SER A 38 -11.864 -17.633 11.988 1.00 51.12 C ATOM 593 OG SER A 38 -13.066 -18.178 12.532 1.00 74.20 O ATOM 0 H SER A 38 -13.984 -17.370 9.913 1.00 71.10 H new ATOM 0 HA SER A 38 -12.753 -15.897 11.072 1.00 71.34 H new ATOM 0 HB2 SER A 38 -11.188 -18.440 11.707 1.00 51.12 H new ATOM 0 HB3 SER A 38 -11.353 -17.038 12.746 1.00 51.12 H new ATOM 0 HG SER A 38 -12.851 -18.732 13.311 1.00 74.20 H new ATOM 599 N VAL A 39 -10.997 -15.306 9.216 1.00 32.52 N ATOM 600 CA VAL A 39 -9.836 -14.740 8.576 1.00 73.41 C ATOM 601 C VAL A 39 -9.618 -13.316 9.070 1.00 32.54 C ATOM 602 O VAL A 39 -10.573 -12.621 9.430 1.00 2.14 O ATOM 603 CB VAL A 39 -9.948 -14.753 7.029 1.00 61.52 C ATOM 604 CG1 VAL A 39 -9.985 -16.181 6.503 1.00 73.32 C ATOM 605 CG2 VAL A 39 -11.176 -13.985 6.566 1.00 13.20 C ATOM 0 H VAL A 39 -11.890 -14.943 8.882 1.00 32.52 H new ATOM 0 HA VAL A 39 -8.981 -15.362 8.843 1.00 73.41 H new ATOM 0 HB VAL A 39 -9.064 -14.259 6.625 1.00 61.52 H new ATOM 0 HG11 VAL A 39 -10.064 -16.166 5.416 1.00 73.32 H new ATOM 0 HG12 VAL A 39 -9.071 -16.700 6.794 1.00 73.32 H new ATOM 0 HG13 VAL A 39 -10.846 -16.701 6.922 1.00 73.32 H new ATOM 0 HG21 VAL A 39 -11.231 -14.009 5.478 1.00 13.20 H new ATOM 0 HG22 VAL A 39 -12.071 -14.444 6.985 1.00 13.20 H new ATOM 0 HG23 VAL A 39 -11.107 -12.951 6.903 1.00 13.20 H new ATOM 615 N ASN A 40 -8.381 -12.891 9.090 1.00 62.35 N ATOM 616 CA ASN A 40 -8.042 -11.555 9.559 1.00 10.20 C ATOM 617 C ASN A 40 -6.800 -11.061 8.860 1.00 70.11 C ATOM 618 O ASN A 40 -5.779 -11.721 8.887 1.00 22.22 O ATOM 619 CB ASN A 40 -7.826 -11.549 11.077 1.00 45.21 C ATOM 620 CG ASN A 40 -7.461 -10.171 11.607 1.00 75.44 C ATOM 621 OD1 ASN A 40 -6.288 -9.817 11.689 1.00 51.24 O ATOM 622 ND2 ASN A 40 -8.462 -9.392 11.970 1.00 13.15 N ATOM 0 H ASN A 40 -7.582 -13.448 8.787 1.00 62.35 H new ATOM 0 HA ASN A 40 -8.873 -10.889 9.327 1.00 10.20 H new ATOM 0 HB2 ASN A 40 -8.733 -11.896 11.571 1.00 45.21 H new ATOM 0 HB3 ASN A 40 -7.034 -12.254 11.331 1.00 45.21 H new ATOM 0 HD21 ASN A 40 -8.275 -8.458 12.335 1.00 13.15 H new ATOM 0 HD22 ASN A 40 -9.423 -9.724 11.886 1.00 13.15 H new ATOM 629 N PHE A 41 -6.903 -9.903 8.237 1.00 45.04 N ATOM 630 CA PHE A 41 -5.799 -9.308 7.483 1.00 40.30 C ATOM 631 C PHE A 41 -4.506 -9.258 8.311 1.00 44.21 C ATOM 632 O PHE A 41 -3.482 -9.832 7.923 1.00 15.42 O ATOM 633 CB PHE A 41 -6.194 -7.886 7.034 1.00 64.20 C ATOM 634 CG PHE A 41 -5.187 -7.199 6.138 1.00 41.12 C ATOM 635 CD1 PHE A 41 -4.082 -6.553 6.673 1.00 10.35 C ATOM 636 CD2 PHE A 41 -5.357 -7.195 4.764 1.00 1.34 C ATOM 637 CE1 PHE A 41 -3.168 -5.920 5.855 1.00 54.24 C ATOM 638 CE2 PHE A 41 -4.446 -6.563 3.942 1.00 14.24 C ATOM 639 CZ PHE A 41 -3.350 -5.925 4.487 1.00 21.05 C ATOM 0 H PHE A 41 -7.754 -9.341 8.235 1.00 45.04 H new ATOM 0 HA PHE A 41 -5.606 -9.934 6.611 1.00 40.30 H new ATOM 0 HB2 PHE A 41 -7.149 -7.938 6.510 1.00 64.20 H new ATOM 0 HB3 PHE A 41 -6.349 -7.271 7.920 1.00 64.20 H new ATOM 0 HD1 PHE A 41 -3.935 -6.545 7.743 1.00 10.35 H new ATOM 0 HD2 PHE A 41 -6.212 -7.692 4.330 1.00 1.34 H new ATOM 0 HE1 PHE A 41 -2.312 -5.422 6.285 1.00 54.24 H new ATOM 0 HE2 PHE A 41 -4.591 -6.568 2.872 1.00 14.24 H new ATOM 0 HZ PHE A 41 -2.636 -5.431 3.844 1.00 21.05 H new ATOM 649 N SER A 42 -4.567 -8.562 9.436 1.00 63.22 N ATOM 650 CA SER A 42 -3.392 -8.380 10.277 1.00 40.23 C ATOM 651 C SER A 42 -2.828 -9.731 10.780 1.00 24.53 C ATOM 652 O SER A 42 -1.623 -9.950 10.738 1.00 32.22 O ATOM 653 CB SER A 42 -3.719 -7.463 11.457 1.00 12.13 C ATOM 654 OG SER A 42 -2.538 -6.932 12.042 1.00 50.24 O ATOM 0 H SER A 42 -5.414 -8.115 9.787 1.00 63.22 H new ATOM 0 HA SER A 42 -2.620 -7.911 9.667 1.00 40.23 H new ATOM 0 HB2 SER A 42 -4.359 -6.647 11.120 1.00 12.13 H new ATOM 0 HB3 SER A 42 -4.281 -8.019 12.208 1.00 12.13 H new ATOM 0 HG SER A 42 -2.778 -6.349 12.792 1.00 50.24 H new ATOM 660 N GLU A 43 -3.706 -10.640 11.215 1.00 51.41 N ATOM 661 CA GLU A 43 -3.273 -11.952 11.739 1.00 25.23 C ATOM 662 C GLU A 43 -2.803 -12.867 10.588 1.00 72.21 C ATOM 663 O GLU A 43 -2.070 -13.844 10.787 1.00 33.52 O ATOM 664 CB GLU A 43 -4.414 -12.608 12.515 1.00 5.24 C ATOM 665 CG GLU A 43 -3.946 -13.608 13.553 1.00 22.13 C ATOM 666 CD GLU A 43 -3.075 -12.968 14.617 1.00 43.24 C ATOM 667 OE1 GLU A 43 -1.872 -12.748 14.358 1.00 41.24 O ATOM 668 OE2 GLU A 43 -3.581 -12.688 15.713 1.00 21.44 O ATOM 0 H GLU A 43 -4.716 -10.499 11.218 1.00 51.41 H new ATOM 0 HA GLU A 43 -2.433 -11.799 12.416 1.00 25.23 H new ATOM 0 HB2 GLU A 43 -5.000 -11.832 13.008 1.00 5.24 H new ATOM 0 HB3 GLU A 43 -5.078 -13.111 11.812 1.00 5.24 H new ATOM 0 HG2 GLU A 43 -4.813 -14.070 14.026 1.00 22.13 H new ATOM 0 HG3 GLU A 43 -3.388 -14.405 13.061 1.00 22.13 H new ATOM 675 N PHE A 44 -3.212 -12.498 9.409 1.00 54.23 N ATOM 676 CA PHE A 44 -2.790 -13.233 8.220 1.00 53.25 C ATOM 677 C PHE A 44 -1.517 -12.674 7.622 1.00 72.22 C ATOM 678 O PHE A 44 -0.900 -13.300 6.747 1.00 73.22 O ATOM 679 CB PHE A 44 -3.905 -13.264 7.179 1.00 44.50 C ATOM 680 CG PHE A 44 -4.630 -14.572 7.107 1.00 33.10 C ATOM 681 CD1 PHE A 44 -5.678 -14.851 7.966 1.00 25.34 C ATOM 682 CD2 PHE A 44 -4.265 -15.524 6.171 1.00 3.44 C ATOM 683 CE1 PHE A 44 -6.347 -16.055 7.892 1.00 30.13 C ATOM 684 CE2 PHE A 44 -4.931 -16.726 6.090 1.00 62.53 C ATOM 685 CZ PHE A 44 -5.973 -16.992 6.950 1.00 23.23 C ATOM 0 H PHE A 44 -3.829 -11.706 9.231 1.00 54.23 H new ATOM 0 HA PHE A 44 -2.576 -14.254 8.535 1.00 53.25 H new ATOM 0 HB2 PHE A 44 -4.622 -12.474 7.405 1.00 44.50 H new ATOM 0 HB3 PHE A 44 -3.481 -13.040 6.200 1.00 44.50 H new ATOM 0 HD1 PHE A 44 -5.975 -14.119 8.702 1.00 25.34 H new ATOM 0 HD2 PHE A 44 -3.447 -15.321 5.495 1.00 3.44 H new ATOM 0 HE1 PHE A 44 -7.162 -16.264 8.570 1.00 30.13 H new ATOM 0 HE2 PHE A 44 -4.637 -17.459 5.353 1.00 62.53 H new ATOM 0 HZ PHE A 44 -6.498 -17.934 6.887 1.00 23.23 H new ATOM 695 N SER A 45 -1.120 -11.508 8.078 1.00 23.23 N ATOM 696 CA SER A 45 0.077 -10.874 7.576 1.00 31.15 C ATOM 697 C SER A 45 1.318 -11.738 7.802 1.00 72.44 C ATOM 698 O SER A 45 2.087 -11.955 6.875 1.00 10.01 O ATOM 699 CB SER A 45 0.248 -9.488 8.195 1.00 35.34 C ATOM 700 OG SER A 45 -0.849 -8.649 7.849 1.00 40.13 O ATOM 0 H SER A 45 -1.611 -10.978 8.798 1.00 23.23 H new ATOM 0 HA SER A 45 -0.037 -10.758 6.498 1.00 31.15 H new ATOM 0 HB2 SER A 45 0.320 -9.574 9.279 1.00 35.34 H new ATOM 0 HB3 SER A 45 1.179 -9.041 7.848 1.00 35.34 H new ATOM 0 HG SER A 45 -1.689 -9.135 7.986 1.00 40.13 H new ATOM 706 N LYS A 46 1.472 -12.272 9.014 1.00 63.01 N ATOM 707 CA LYS A 46 2.654 -13.069 9.358 1.00 4.20 C ATOM 708 C LYS A 46 2.768 -14.360 8.532 1.00 5.13 C ATOM 709 O LYS A 46 3.864 -14.776 8.182 1.00 52.22 O ATOM 710 CB LYS A 46 2.696 -13.379 10.861 1.00 43.40 C ATOM 711 CG LYS A 46 1.525 -14.202 11.380 1.00 62.51 C ATOM 712 CD LYS A 46 1.616 -14.380 12.888 1.00 54.32 C ATOM 713 CE LYS A 46 0.546 -15.319 13.416 1.00 63.53 C ATOM 714 NZ LYS A 46 -0.820 -14.805 13.181 1.00 61.35 N ATOM 0 H LYS A 46 0.797 -12.169 9.772 1.00 63.01 H new ATOM 0 HA LYS A 46 3.519 -12.457 9.104 1.00 4.20 H new ATOM 0 HB2 LYS A 46 3.621 -13.912 11.081 1.00 43.40 H new ATOM 0 HB3 LYS A 46 2.731 -12.438 11.410 1.00 43.40 H new ATOM 0 HG2 LYS A 46 0.587 -13.710 11.123 1.00 62.51 H new ATOM 0 HG3 LYS A 46 1.517 -15.178 10.894 1.00 62.51 H new ATOM 0 HD2 LYS A 46 2.600 -14.769 13.148 1.00 54.32 H new ATOM 0 HD3 LYS A 46 1.518 -13.409 13.374 1.00 54.32 H new ATOM 0 HE2 LYS A 46 0.652 -16.293 12.937 1.00 63.53 H new ATOM 0 HE3 LYS A 46 0.695 -15.471 14.485 1.00 63.53 H new ATOM 0 HZ1 LYS A 46 -1.515 -15.496 13.528 1.00 61.35 H new ATOM 0 HZ2 LYS A 46 -0.944 -13.905 13.687 1.00 61.35 H new ATOM 0 HZ3 LYS A 46 -0.963 -14.652 12.162 1.00 61.35 H new ATOM 728 N LYS A 47 1.643 -15.000 8.239 1.00 3.41 N ATOM 729 CA LYS A 47 1.653 -16.230 7.436 1.00 43.21 C ATOM 730 C LYS A 47 2.118 -15.953 6.007 1.00 13.45 C ATOM 731 O LYS A 47 2.893 -16.711 5.432 1.00 12.31 O ATOM 732 CB LYS A 47 0.259 -16.867 7.415 1.00 0.32 C ATOM 733 CG LYS A 47 -0.247 -17.300 8.784 1.00 53.34 C ATOM 734 CD LYS A 47 0.627 -18.396 9.374 1.00 62.01 C ATOM 735 CE LYS A 47 0.171 -18.781 10.769 1.00 5.41 C ATOM 736 NZ LYS A 47 -1.199 -19.356 10.774 1.00 35.14 N ATOM 0 H LYS A 47 0.717 -14.696 8.539 1.00 3.41 H new ATOM 0 HA LYS A 47 2.356 -16.923 7.898 1.00 43.21 H new ATOM 0 HB2 LYS A 47 -0.447 -16.156 6.987 1.00 0.32 H new ATOM 0 HB3 LYS A 47 0.278 -17.734 6.755 1.00 0.32 H new ATOM 0 HG2 LYS A 47 -0.262 -16.442 9.457 1.00 53.34 H new ATOM 0 HG3 LYS A 47 -1.273 -17.657 8.699 1.00 53.34 H new ATOM 0 HD2 LYS A 47 0.600 -19.272 8.726 1.00 62.01 H new ATOM 0 HD3 LYS A 47 1.663 -18.058 9.409 1.00 62.01 H new ATOM 0 HE2 LYS A 47 0.868 -19.505 11.190 1.00 5.41 H new ATOM 0 HE3 LYS A 47 0.196 -17.902 11.413 1.00 5.41 H new ATOM 0 HZ1 LYS A 47 -1.403 -19.758 11.711 1.00 35.14 H new ATOM 0 HZ2 LYS A 47 -1.890 -18.609 10.560 1.00 35.14 H new ATOM 0 HZ3 LYS A 47 -1.264 -20.104 10.055 1.00 35.14 H new ATOM 750 N CYS A 48 1.659 -14.862 5.471 1.00 22.11 N ATOM 751 CA CYS A 48 2.012 -14.523 4.102 1.00 33.20 C ATOM 752 C CYS A 48 3.393 -13.857 4.002 1.00 10.54 C ATOM 753 O CYS A 48 4.143 -14.122 3.065 1.00 74.31 O ATOM 754 CB CYS A 48 0.931 -13.665 3.450 1.00 45.34 C ATOM 755 SG CYS A 48 0.809 -13.883 1.642 1.00 15.34 S ATOM 0 H CYS A 48 1.049 -14.194 5.941 1.00 22.11 H new ATOM 0 HA CYS A 48 2.076 -15.460 3.549 1.00 33.20 H new ATOM 0 HB2 CYS A 48 -0.032 -13.905 3.901 1.00 45.34 H new ATOM 0 HB3 CYS A 48 1.132 -12.616 3.667 1.00 45.34 H new ATOM 760 N SER A 49 3.719 -12.993 4.964 1.00 71.15 N ATOM 761 CA SER A 49 5.017 -12.300 4.986 1.00 41.42 C ATOM 762 C SER A 49 6.197 -13.266 4.870 1.00 74.20 C ATOM 763 O SER A 49 7.194 -12.969 4.210 1.00 11.00 O ATOM 764 CB SER A 49 5.157 -11.463 6.260 1.00 22.15 C ATOM 765 OG SER A 49 5.013 -12.266 7.421 1.00 24.43 O ATOM 0 H SER A 49 3.104 -12.753 5.741 1.00 71.15 H new ATOM 0 HA SER A 49 5.039 -11.646 4.114 1.00 41.42 H new ATOM 0 HB2 SER A 49 6.131 -10.974 6.272 1.00 22.15 H new ATOM 0 HB3 SER A 49 4.404 -10.674 6.265 1.00 22.15 H new ATOM 0 HG SER A 49 5.846 -12.756 7.585 1.00 24.43 H new ATOM 771 N GLU A 50 6.083 -14.414 5.511 1.00 31.53 N ATOM 772 CA GLU A 50 7.155 -15.397 5.490 1.00 34.01 C ATOM 773 C GLU A 50 7.367 -15.959 4.090 1.00 70.43 C ATOM 774 O GLU A 50 8.464 -16.407 3.749 1.00 43.31 O ATOM 775 CB GLU A 50 6.897 -16.504 6.499 1.00 42.44 C ATOM 776 CG GLU A 50 6.612 -15.984 7.901 1.00 22.32 C ATOM 777 CD GLU A 50 7.588 -14.904 8.350 1.00 62.41 C ATOM 778 OE1 GLU A 50 7.342 -13.704 8.057 1.00 70.14 O ATOM 779 OE2 GLU A 50 8.591 -15.241 9.010 1.00 33.21 O ATOM 0 H GLU A 50 5.263 -14.690 6.051 1.00 31.53 H new ATOM 0 HA GLU A 50 8.076 -14.891 5.779 1.00 34.01 H new ATOM 0 HB2 GLU A 50 6.051 -17.104 6.162 1.00 42.44 H new ATOM 0 HB3 GLU A 50 7.763 -17.165 6.533 1.00 42.44 H new ATOM 0 HG2 GLU A 50 5.598 -15.585 7.935 1.00 22.32 H new ATOM 0 HG3 GLU A 50 6.651 -16.815 8.605 1.00 22.32 H new ATOM 786 N ARG A 51 6.323 -15.919 3.269 1.00 32.34 N ATOM 787 CA ARG A 51 6.446 -16.352 1.895 1.00 2.41 C ATOM 788 C ARG A 51 7.180 -15.284 1.089 1.00 20.34 C ATOM 789 O ARG A 51 7.975 -15.592 0.220 1.00 54.24 O ATOM 790 CB ARG A 51 5.082 -16.649 1.267 1.00 32.30 C ATOM 791 CG ARG A 51 5.181 -16.982 -0.209 1.00 52.22 C ATOM 792 CD ARG A 51 3.834 -17.241 -0.839 1.00 75.14 C ATOM 793 NE ARG A 51 3.940 -17.283 -2.296 1.00 62.23 N ATOM 794 CZ ARG A 51 2.941 -17.036 -3.135 1.00 22.00 C ATOM 795 NH1 ARG A 51 1.722 -16.787 -2.668 1.00 33.40 N ATOM 796 NH2 ARG A 51 3.157 -17.045 -4.447 1.00 43.33 N ATOM 0 H ARG A 51 5.393 -15.593 3.534 1.00 32.34 H new ATOM 0 HA ARG A 51 7.017 -17.280 1.881 1.00 2.41 H new ATOM 0 HB2 ARG A 51 4.617 -17.483 1.794 1.00 32.30 H new ATOM 0 HB3 ARG A 51 4.430 -15.786 1.398 1.00 32.30 H new ATOM 0 HG2 ARG A 51 5.670 -16.159 -0.731 1.00 52.22 H new ATOM 0 HG3 ARG A 51 5.813 -17.861 -0.337 1.00 52.22 H new ATOM 0 HD2 ARG A 51 3.432 -18.185 -0.472 1.00 75.14 H new ATOM 0 HD3 ARG A 51 3.133 -16.460 -0.544 1.00 75.14 H new ATOM 0 HE ARG A 51 4.847 -17.519 -2.698 1.00 62.23 H new ATOM 0 HH11 ARG A 51 1.552 -16.785 -1.662 1.00 33.40 H new ATOM 0 HH12 ARG A 51 0.957 -16.598 -3.315 1.00 33.40 H new ATOM 0 HH21 ARG A 51 4.090 -17.242 -4.809 1.00 43.33 H new ATOM 0 HH22 ARG A 51 2.390 -16.855 -5.092 1.00 43.33 H new ATOM 810 N TRP A 52 6.905 -14.045 1.390 1.00 1.25 N ATOM 811 CA TRP A 52 7.581 -12.922 0.741 1.00 22.42 C ATOM 812 C TRP A 52 9.089 -13.020 0.971 1.00 22.02 C ATOM 813 O TRP A 52 9.889 -12.677 0.104 1.00 35.34 O ATOM 814 CB TRP A 52 7.045 -11.579 1.265 1.00 64.03 C ATOM 815 CG TRP A 52 7.711 -10.379 0.646 1.00 1.51 C ATOM 816 CD1 TRP A 52 8.708 -9.621 1.193 1.00 13.10 C ATOM 817 CD2 TRP A 52 7.431 -9.803 -0.638 1.00 22.44 C ATOM 818 NE1 TRP A 52 9.061 -8.612 0.332 1.00 54.25 N ATOM 819 CE2 TRP A 52 8.293 -8.701 -0.798 1.00 74.45 C ATOM 820 CE3 TRP A 52 6.536 -10.110 -1.666 1.00 40.25 C ATOM 821 CZ2 TRP A 52 8.287 -7.909 -1.944 1.00 24.22 C ATOM 822 CZ3 TRP A 52 6.531 -9.324 -2.802 1.00 13.31 C ATOM 823 CH2 TRP A 52 7.401 -8.236 -2.932 1.00 44.34 C ATOM 0 H TRP A 52 6.212 -13.771 2.086 1.00 1.25 H new ATOM 0 HA TRP A 52 7.380 -12.969 -0.329 1.00 22.42 H new ATOM 0 HB2 TRP A 52 5.973 -11.527 1.075 1.00 64.03 H new ATOM 0 HB3 TRP A 52 7.180 -11.541 2.346 1.00 64.03 H new ATOM 0 HD1 TRP A 52 9.153 -9.791 2.162 1.00 13.10 H new ATOM 0 HE1 TRP A 52 9.780 -7.909 0.506 1.00 54.25 H new ATOM 0 HE3 TRP A 52 5.860 -10.947 -1.574 1.00 40.25 H new ATOM 0 HZ2 TRP A 52 8.957 -7.068 -2.048 1.00 24.22 H new ATOM 0 HZ3 TRP A 52 5.844 -9.553 -3.603 1.00 13.31 H new ATOM 0 HH2 TRP A 52 7.372 -7.641 -3.833 1.00 44.34 H new ATOM 834 N LYS A 53 9.465 -13.512 2.137 1.00 12.44 N ATOM 835 CA LYS A 53 10.867 -13.681 2.474 1.00 41.14 C ATOM 836 C LYS A 53 11.475 -14.866 1.718 1.00 64.34 C ATOM 837 O LYS A 53 12.639 -14.823 1.312 1.00 51.41 O ATOM 838 CB LYS A 53 11.034 -13.883 3.981 1.00 42.13 C ATOM 839 CG LYS A 53 10.514 -12.728 4.819 1.00 0.24 C ATOM 840 CD LYS A 53 10.753 -12.969 6.299 1.00 54.44 C ATOM 841 CE LYS A 53 10.249 -11.808 7.140 1.00 52.40 C ATOM 842 NZ LYS A 53 8.774 -11.663 7.067 1.00 50.44 N ATOM 0 H LYS A 53 8.817 -13.803 2.869 1.00 12.44 H new ATOM 0 HA LYS A 53 11.394 -12.775 2.176 1.00 41.14 H new ATOM 0 HB2 LYS A 53 10.514 -14.795 4.275 1.00 42.13 H new ATOM 0 HB3 LYS A 53 12.091 -14.033 4.203 1.00 42.13 H new ATOM 0 HG2 LYS A 53 11.006 -11.804 4.515 1.00 0.24 H new ATOM 0 HG3 LYS A 53 9.447 -12.595 4.637 1.00 0.24 H new ATOM 0 HD2 LYS A 53 10.251 -13.887 6.605 1.00 54.44 H new ATOM 0 HD3 LYS A 53 11.818 -13.114 6.478 1.00 54.44 H new ATOM 0 HE2 LYS A 53 10.547 -11.957 8.178 1.00 52.40 H new ATOM 0 HE3 LYS A 53 10.720 -10.885 6.802 1.00 52.40 H new ATOM 0 HZ1 LYS A 53 8.453 -11.001 7.802 1.00 50.44 H new ATOM 0 HZ2 LYS A 53 8.507 -11.297 6.131 1.00 50.44 H new ATOM 0 HZ3 LYS A 53 8.326 -12.590 7.217 1.00 50.44 H new ATOM 856 N THR A 54 10.682 -15.910 1.516 1.00 22.13 N ATOM 857 CA THR A 54 11.159 -17.117 0.851 1.00 54.32 C ATOM 858 C THR A 54 11.109 -17.006 -0.677 1.00 3.51 C ATOM 859 O THR A 54 11.927 -17.617 -1.371 1.00 11.21 O ATOM 860 CB THR A 54 10.366 -18.357 1.309 1.00 13.01 C ATOM 861 OG1 THR A 54 8.974 -18.043 1.383 1.00 2.04 O ATOM 862 CG2 THR A 54 10.846 -18.831 2.669 1.00 74.24 C ATOM 0 H THR A 54 9.704 -15.946 1.803 1.00 22.13 H new ATOM 0 HA THR A 54 12.203 -17.231 1.142 1.00 54.32 H new ATOM 0 HB THR A 54 10.526 -19.153 0.582 1.00 13.01 H new ATOM 0 HG1 THR A 54 8.785 -17.592 2.232 1.00 2.04 H new ATOM 0 HG21 THR A 54 10.272 -19.707 2.972 1.00 74.24 H new ATOM 0 HG22 THR A 54 11.903 -19.091 2.611 1.00 74.24 H new ATOM 0 HG23 THR A 54 10.708 -18.035 3.401 1.00 74.24 H new ATOM 870 N MET A 55 10.155 -16.234 -1.198 1.00 2.20 N ATOM 871 CA MET A 55 10.021 -16.049 -2.646 1.00 31.10 C ATOM 872 C MET A 55 11.243 -15.384 -3.225 1.00 2.30 C ATOM 873 O MET A 55 11.807 -14.470 -2.625 1.00 4.12 O ATOM 874 CB MET A 55 8.782 -15.231 -3.006 1.00 4.52 C ATOM 875 CG MET A 55 7.476 -15.981 -2.860 1.00 3.21 C ATOM 876 SD MET A 55 6.070 -15.061 -3.523 1.00 64.31 S ATOM 877 CE MET A 55 6.157 -13.555 -2.562 1.00 65.11 C ATOM 0 H MET A 55 9.465 -15.728 -0.643 1.00 2.20 H new ATOM 0 HA MET A 55 9.914 -17.045 -3.077 1.00 31.10 H new ATOM 0 HB2 MET A 55 8.751 -14.344 -2.374 1.00 4.52 H new ATOM 0 HB3 MET A 55 8.876 -14.885 -4.036 1.00 4.52 H new ATOM 0 HG2 MET A 55 7.553 -16.940 -3.373 1.00 3.21 H new ATOM 0 HG3 MET A 55 7.300 -16.196 -1.806 1.00 3.21 H new ATOM 0 HE1 MET A 55 5.329 -12.901 -2.835 1.00 65.11 H new ATOM 0 HE2 MET A 55 6.095 -13.796 -1.501 1.00 65.11 H new ATOM 0 HE3 MET A 55 7.101 -13.049 -2.764 1.00 65.11 H new ATOM 887 N SER A 56 11.656 -15.845 -4.383 1.00 0.43 N ATOM 888 CA SER A 56 12.816 -15.306 -5.042 1.00 43.01 C ATOM 889 C SER A 56 12.431 -14.057 -5.847 1.00 32.14 C ATOM 890 O SER A 56 11.297 -13.569 -5.756 1.00 4.14 O ATOM 891 CB SER A 56 13.422 -16.361 -5.959 1.00 75.25 C ATOM 892 OG SER A 56 13.653 -17.572 -5.257 1.00 4.43 O ATOM 0 H SER A 56 11.197 -16.601 -4.891 1.00 0.43 H new ATOM 0 HA SER A 56 13.555 -15.022 -4.293 1.00 43.01 H new ATOM 0 HB2 SER A 56 12.753 -16.545 -6.799 1.00 75.25 H new ATOM 0 HB3 SER A 56 14.360 -15.992 -6.374 1.00 75.25 H new ATOM 0 HG SER A 56 14.041 -18.235 -5.866 1.00 4.43 H new ATOM 898 N ALA A 57 13.360 -13.571 -6.654 1.00 0.20 N ATOM 899 CA ALA A 57 13.124 -12.365 -7.439 1.00 41.03 C ATOM 900 C ALA A 57 12.110 -12.585 -8.554 1.00 42.02 C ATOM 901 O ALA A 57 11.499 -11.630 -9.041 1.00 42.51 O ATOM 902 CB ALA A 57 14.433 -11.836 -8.007 1.00 4.23 C ATOM 0 H ALA A 57 14.281 -13.989 -6.784 1.00 0.20 H new ATOM 0 HA ALA A 57 12.700 -11.622 -6.764 1.00 41.03 H new ATOM 0 HB1 ALA A 57 14.239 -10.936 -8.590 1.00 4.23 H new ATOM 0 HB2 ALA A 57 15.115 -11.599 -7.190 1.00 4.23 H new ATOM 0 HB3 ALA A 57 14.884 -12.593 -8.648 1.00 4.23 H new ATOM 908 N LYS A 58 11.907 -13.838 -8.946 1.00 2.10 N ATOM 909 CA LYS A 58 10.996 -14.152 -10.038 1.00 53.41 C ATOM 910 C LYS A 58 9.539 -13.869 -9.653 1.00 21.43 C ATOM 911 O LYS A 58 8.860 -13.092 -10.327 1.00 74.32 O ATOM 912 CB LYS A 58 11.160 -15.613 -10.472 1.00 61.42 C ATOM 913 CG LYS A 58 10.378 -15.983 -11.724 1.00 24.30 C ATOM 914 CD LYS A 58 10.923 -15.271 -12.954 1.00 21.43 C ATOM 915 CE LYS A 58 10.090 -15.576 -14.191 1.00 74.05 C ATOM 916 NZ LYS A 58 8.680 -15.127 -14.043 1.00 2.05 N ATOM 0 H LYS A 58 12.360 -14.649 -8.525 1.00 2.10 H new ATOM 0 HA LYS A 58 11.251 -13.505 -10.878 1.00 53.41 H new ATOM 0 HB2 LYS A 58 12.217 -15.812 -10.645 1.00 61.42 H new ATOM 0 HB3 LYS A 58 10.843 -16.261 -9.655 1.00 61.42 H new ATOM 0 HG2 LYS A 58 10.423 -17.061 -11.877 1.00 24.30 H new ATOM 0 HG3 LYS A 58 9.328 -15.724 -11.588 1.00 24.30 H new ATOM 0 HD2 LYS A 58 10.934 -14.195 -12.778 1.00 21.43 H new ATOM 0 HD3 LYS A 58 11.955 -15.577 -13.125 1.00 21.43 H new ATOM 0 HE2 LYS A 58 10.536 -15.087 -15.057 1.00 74.05 H new ATOM 0 HE3 LYS A 58 10.110 -16.648 -14.385 1.00 74.05 H new ATOM 0 HZ1 LYS A 58 8.224 -15.101 -14.977 1.00 2.05 H new ATOM 0 HZ2 LYS A 58 8.168 -15.789 -13.426 1.00 2.05 H new ATOM 0 HZ3 LYS A 58 8.661 -14.176 -13.622 1.00 2.05 H new ATOM 930 N GLU A 59 9.069 -14.483 -8.561 1.00 22.34 N ATOM 931 CA GLU A 59 7.677 -14.302 -8.116 1.00 4.31 C ATOM 932 C GLU A 59 7.378 -12.854 -7.742 1.00 34.01 C ATOM 933 O GLU A 59 6.252 -12.380 -7.922 1.00 55.51 O ATOM 934 CB GLU A 59 7.330 -15.228 -6.945 1.00 33.32 C ATOM 935 CG GLU A 59 7.120 -16.680 -7.344 1.00 45.32 C ATOM 936 CD GLU A 59 6.535 -17.519 -6.222 1.00 52.51 C ATOM 937 OE1 GLU A 59 5.296 -17.497 -6.037 1.00 33.34 O ATOM 938 OE2 GLU A 59 7.304 -18.214 -5.529 1.00 14.23 O ATOM 0 H GLU A 59 9.624 -15.104 -7.972 1.00 22.34 H new ATOM 0 HA GLU A 59 7.049 -14.569 -8.966 1.00 4.31 H new ATOM 0 HB2 GLU A 59 8.130 -15.177 -6.206 1.00 33.32 H new ATOM 0 HB3 GLU A 59 6.425 -14.861 -6.461 1.00 33.32 H new ATOM 0 HG2 GLU A 59 6.456 -16.723 -8.208 1.00 45.32 H new ATOM 0 HG3 GLU A 59 8.073 -17.109 -7.653 1.00 45.32 H new ATOM 945 N LYS A 60 8.383 -12.147 -7.239 1.00 3.11 N ATOM 946 CA LYS A 60 8.221 -10.750 -6.856 1.00 21.32 C ATOM 947 C LYS A 60 8.174 -9.851 -8.084 1.00 2.14 C ATOM 948 O LYS A 60 7.792 -8.682 -8.001 1.00 40.21 O ATOM 949 CB LYS A 60 9.359 -10.316 -5.933 1.00 15.22 C ATOM 950 CG LYS A 60 9.425 -11.102 -4.638 1.00 52.44 C ATOM 951 CD LYS A 60 10.599 -10.667 -3.781 1.00 54.22 C ATOM 952 CE LYS A 60 10.666 -11.482 -2.503 1.00 34.14 C ATOM 953 NZ LYS A 60 11.823 -11.110 -1.656 1.00 10.43 N ATOM 0 H LYS A 60 9.320 -12.519 -7.087 1.00 3.11 H new ATOM 0 HA LYS A 60 7.275 -10.654 -6.323 1.00 21.32 H new ATOM 0 HB2 LYS A 60 10.306 -10.424 -6.462 1.00 15.22 H new ATOM 0 HB3 LYS A 60 9.243 -9.258 -5.700 1.00 15.22 H new ATOM 0 HG2 LYS A 60 8.498 -10.967 -4.082 1.00 52.44 H new ATOM 0 HG3 LYS A 60 9.511 -12.166 -4.861 1.00 52.44 H new ATOM 0 HD2 LYS A 60 11.527 -10.784 -4.341 1.00 54.22 H new ATOM 0 HD3 LYS A 60 10.505 -9.609 -3.538 1.00 54.22 H new ATOM 0 HE2 LYS A 60 9.745 -11.342 -1.937 1.00 34.14 H new ATOM 0 HE3 LYS A 60 10.728 -12.541 -2.753 1.00 34.14 H new ATOM 0 HZ1 LYS A 60 11.684 -11.483 -0.695 1.00 10.43 H new ATOM 0 HZ2 LYS A 60 12.693 -11.511 -2.061 1.00 10.43 H new ATOM 0 HZ3 LYS A 60 11.905 -10.074 -1.617 1.00 10.43 H new ATOM 967 N GLY A 61 8.548 -10.414 -9.226 1.00 52.40 N ATOM 968 CA GLY A 61 8.572 -9.670 -10.467 1.00 50.52 C ATOM 969 C GLY A 61 7.222 -9.099 -10.839 1.00 12.43 C ATOM 970 O GLY A 61 7.147 -8.031 -11.433 1.00 70.41 O ATOM 0 H GLY A 61 8.839 -11.388 -9.313 1.00 52.40 H new ATOM 0 HA2 GLY A 61 9.294 -8.857 -10.383 1.00 50.52 H new ATOM 0 HA3 GLY A 61 8.918 -10.322 -11.269 1.00 50.52 H new ATOM 974 N LYS A 62 6.153 -9.800 -10.477 1.00 30.44 N ATOM 975 CA LYS A 62 4.806 -9.344 -10.797 1.00 63.21 C ATOM 976 C LYS A 62 4.444 -8.095 -9.990 1.00 75.21 C ATOM 977 O LYS A 62 3.777 -7.189 -10.488 1.00 31.02 O ATOM 978 CB LYS A 62 3.783 -10.453 -10.547 1.00 31.23 C ATOM 979 CG LYS A 62 2.381 -10.093 -11.004 1.00 31.41 C ATOM 980 CD LYS A 62 1.411 -11.239 -10.798 1.00 22.41 C ATOM 981 CE LYS A 62 0.029 -10.895 -11.336 1.00 74.51 C ATOM 982 NZ LYS A 62 0.053 -10.600 -12.794 1.00 12.50 N ATOM 0 H LYS A 62 6.193 -10.681 -9.965 1.00 30.44 H new ATOM 0 HA LYS A 62 4.784 -9.086 -11.856 1.00 63.21 H new ATOM 0 HB2 LYS A 62 4.105 -11.357 -11.064 1.00 31.23 H new ATOM 0 HB3 LYS A 62 3.762 -10.685 -9.482 1.00 31.23 H new ATOM 0 HG2 LYS A 62 2.033 -9.219 -10.454 1.00 31.41 H new ATOM 0 HG3 LYS A 62 2.401 -9.819 -12.059 1.00 31.41 H new ATOM 0 HD2 LYS A 62 1.787 -12.131 -11.298 1.00 22.41 H new ATOM 0 HD3 LYS A 62 1.342 -11.474 -9.736 1.00 22.41 H new ATOM 0 HE2 LYS A 62 -0.651 -11.726 -11.146 1.00 74.51 H new ATOM 0 HE3 LYS A 62 -0.364 -10.032 -10.798 1.00 74.51 H new ATOM 0 HZ1 LYS A 62 -0.913 -10.655 -13.175 1.00 12.50 H new ATOM 0 HZ2 LYS A 62 0.432 -9.644 -12.949 1.00 12.50 H new ATOM 0 HZ3 LYS A 62 0.657 -11.294 -13.279 1.00 12.50 H new ATOM 996 N PHE A 63 4.907 -8.039 -8.754 1.00 4.11 N ATOM 997 CA PHE A 63 4.627 -6.898 -7.891 1.00 71.41 C ATOM 998 C PHE A 63 5.488 -5.713 -8.301 1.00 13.42 C ATOM 999 O PHE A 63 5.050 -4.567 -8.268 1.00 11.24 O ATOM 1000 CB PHE A 63 4.840 -7.276 -6.427 1.00 41.32 C ATOM 1001 CG PHE A 63 3.979 -8.434 -6.009 1.00 63.45 C ATOM 1002 CD1 PHE A 63 2.659 -8.235 -5.643 1.00 42.13 C ATOM 1003 CD2 PHE A 63 4.482 -9.724 -6.007 1.00 62.22 C ATOM 1004 CE1 PHE A 63 1.856 -9.300 -5.286 1.00 20.42 C ATOM 1005 CE2 PHE A 63 3.688 -10.794 -5.646 1.00 33.44 C ATOM 1006 CZ PHE A 63 2.371 -10.581 -5.286 1.00 11.32 C ATOM 0 H PHE A 63 5.477 -8.767 -8.323 1.00 4.11 H new ATOM 0 HA PHE A 63 3.583 -6.606 -8.004 1.00 71.41 H new ATOM 0 HB2 PHE A 63 5.888 -7.529 -6.268 1.00 41.32 H new ATOM 0 HB3 PHE A 63 4.620 -6.415 -5.796 1.00 41.32 H new ATOM 0 HD1 PHE A 63 2.252 -7.235 -5.637 1.00 42.13 H new ATOM 0 HD2 PHE A 63 5.510 -9.895 -6.292 1.00 62.22 H new ATOM 0 HE1 PHE A 63 0.826 -9.131 -5.007 1.00 20.42 H new ATOM 0 HE2 PHE A 63 4.095 -11.794 -5.645 1.00 33.44 H new ATOM 0 HZ PHE A 63 1.745 -11.415 -5.005 1.00 11.32 H new ATOM 1016 N GLU A 64 6.703 -6.017 -8.734 1.00 62.04 N ATOM 1017 CA GLU A 64 7.625 -5.019 -9.274 1.00 42.43 C ATOM 1018 C GLU A 64 7.141 -4.560 -10.656 1.00 51.14 C ATOM 1019 O GLU A 64 7.656 -3.597 -11.229 1.00 64.01 O ATOM 1020 CB GLU A 64 9.040 -5.599 -9.376 1.00 4.30 C ATOM 1021 CG GLU A 64 9.689 -5.903 -8.033 1.00 72.41 C ATOM 1022 CD GLU A 64 10.049 -4.651 -7.257 1.00 52.25 C ATOM 1023 OE1 GLU A 64 11.162 -4.123 -7.456 1.00 53.10 O ATOM 1024 OE2 GLU A 64 9.229 -4.191 -6.443 1.00 44.11 O ATOM 0 H GLU A 64 7.081 -6.964 -8.722 1.00 62.04 H new ATOM 0 HA GLU A 64 7.651 -4.162 -8.601 1.00 42.43 H new ATOM 0 HB2 GLU A 64 9.003 -6.516 -9.965 1.00 4.30 H new ATOM 0 HB3 GLU A 64 9.670 -4.896 -9.920 1.00 4.30 H new ATOM 0 HG2 GLU A 64 9.010 -6.512 -7.436 1.00 72.41 H new ATOM 0 HG3 GLU A 64 10.589 -6.496 -8.196 1.00 72.41 H new ATOM 1031 N ASP A 65 6.133 -5.263 -11.163 1.00 55.02 N ATOM 1032 CA ASP A 65 5.585 -5.013 -12.492 1.00 41.33 C ATOM 1033 C ASP A 65 4.343 -4.147 -12.377 1.00 75.51 C ATOM 1034 O ASP A 65 4.239 -3.099 -13.016 1.00 60.44 O ATOM 1035 CB ASP A 65 5.244 -6.333 -13.200 1.00 14.51 C ATOM 1036 CG ASP A 65 4.609 -6.132 -14.564 1.00 72.34 C ATOM 1037 OD1 ASP A 65 5.350 -5.892 -15.547 1.00 64.11 O ATOM 1038 OD2 ASP A 65 3.368 -6.223 -14.664 1.00 70.12 O ATOM 0 H ASP A 65 5.672 -6.023 -10.663 1.00 55.02 H new ATOM 0 HA ASP A 65 6.336 -4.493 -13.086 1.00 41.33 H new ATOM 0 HB2 ASP A 65 6.154 -6.923 -13.313 1.00 14.51 H new ATOM 0 HB3 ASP A 65 4.566 -6.910 -12.572 1.00 14.51 H new ATOM 1043 N MET A 66 3.406 -4.584 -11.532 1.00 51.50 N ATOM 1044 CA MET A 66 2.157 -3.851 -11.297 1.00 51.53 C ATOM 1045 C MET A 66 2.438 -2.478 -10.705 1.00 11.05 C ATOM 1046 O MET A 66 1.681 -1.533 -10.920 1.00 33.21 O ATOM 1047 CB MET A 66 1.236 -4.631 -10.351 1.00 34.33 C ATOM 1048 CG MET A 66 0.777 -5.976 -10.888 1.00 41.41 C ATOM 1049 SD MET A 66 -0.365 -6.821 -9.770 1.00 1.02 S ATOM 1050 CE MET A 66 0.670 -7.047 -8.326 1.00 52.22 C ATOM 0 H MET A 66 3.489 -5.447 -10.995 1.00 51.50 H new ATOM 0 HA MET A 66 1.661 -3.731 -12.260 1.00 51.53 H new ATOM 0 HB2 MET A 66 1.756 -4.789 -9.406 1.00 34.33 H new ATOM 0 HB3 MET A 66 0.359 -4.022 -10.134 1.00 34.33 H new ATOM 0 HG2 MET A 66 0.293 -5.831 -11.854 1.00 41.41 H new ATOM 0 HG3 MET A 66 1.647 -6.610 -11.060 1.00 41.41 H new ATOM 0 HE1 MET A 66 0.176 -7.722 -7.626 1.00 52.22 H new ATOM 0 HE2 MET A 66 1.627 -7.473 -8.627 1.00 52.22 H new ATOM 0 HE3 MET A 66 0.838 -6.084 -7.844 1.00 52.22 H new ATOM 1060 N ALA A 67 3.543 -2.378 -9.971 1.00 65.05 N ATOM 1061 CA ALA A 67 3.954 -1.131 -9.332 1.00 22.51 C ATOM 1062 C ALA A 67 4.083 0.010 -10.343 1.00 32.13 C ATOM 1063 O ALA A 67 3.856 1.173 -10.009 1.00 55.33 O ATOM 1064 CB ALA A 67 5.268 -1.335 -8.601 1.00 10.51 C ATOM 0 H ALA A 67 4.178 -3.158 -9.803 1.00 65.05 H new ATOM 0 HA ALA A 67 3.180 -0.850 -8.618 1.00 22.51 H new ATOM 0 HB1 ALA A 67 5.569 -0.401 -8.126 1.00 10.51 H new ATOM 0 HB2 ALA A 67 5.145 -2.106 -7.840 1.00 10.51 H new ATOM 0 HB3 ALA A 67 6.035 -1.645 -9.311 1.00 10.51 H new ATOM 1070 N LYS A 68 4.426 -0.332 -11.579 1.00 13.24 N ATOM 1071 CA LYS A 68 4.594 0.662 -12.637 1.00 44.05 C ATOM 1072 C LYS A 68 3.255 1.307 -13.002 1.00 0.23 C ATOM 1073 O LYS A 68 3.211 2.413 -13.539 1.00 10.41 O ATOM 1074 CB LYS A 68 5.223 0.024 -13.877 1.00 64.15 C ATOM 1075 CG LYS A 68 6.591 -0.598 -13.625 1.00 70.20 C ATOM 1076 CD LYS A 68 7.185 -1.193 -14.895 1.00 53.04 C ATOM 1077 CE LYS A 68 6.336 -2.338 -15.435 1.00 53.22 C ATOM 1078 NZ LYS A 68 6.916 -2.925 -16.664 1.00 30.35 N ATOM 0 H LYS A 68 4.594 -1.293 -11.876 1.00 13.24 H new ATOM 0 HA LYS A 68 5.260 1.440 -12.263 1.00 44.05 H new ATOM 0 HB2 LYS A 68 4.550 -0.744 -14.259 1.00 64.15 H new ATOM 0 HB3 LYS A 68 5.317 0.781 -14.655 1.00 64.15 H new ATOM 0 HG2 LYS A 68 7.267 0.159 -13.228 1.00 70.20 H new ATOM 0 HG3 LYS A 68 6.502 -1.376 -12.866 1.00 70.20 H new ATOM 0 HD2 LYS A 68 7.272 -0.416 -15.654 1.00 53.04 H new ATOM 0 HD3 LYS A 68 8.193 -1.553 -14.690 1.00 53.04 H new ATOM 0 HE2 LYS A 68 6.243 -3.111 -14.673 1.00 53.22 H new ATOM 0 HE3 LYS A 68 5.330 -1.975 -15.646 1.00 53.22 H new ATOM 0 HZ1 LYS A 68 6.309 -3.700 -16.999 1.00 30.35 H new ATOM 0 HZ2 LYS A 68 6.982 -2.194 -17.401 1.00 30.35 H new ATOM 0 HZ3 LYS A 68 7.866 -3.294 -16.457 1.00 30.35 H new ATOM 1092 N ALA A 69 2.170 0.611 -12.715 1.00 30.04 N ATOM 1093 CA ALA A 69 0.844 1.126 -12.999 1.00 45.40 C ATOM 1094 C ALA A 69 0.269 1.850 -11.784 1.00 25.13 C ATOM 1095 O ALA A 69 -0.594 2.717 -11.914 1.00 64.41 O ATOM 1096 CB ALA A 69 -0.077 0.001 -13.439 1.00 43.12 C ATOM 0 H ALA A 69 2.182 -0.314 -12.285 1.00 30.04 H new ATOM 0 HA ALA A 69 0.924 1.847 -13.813 1.00 45.40 H new ATOM 0 HB1 ALA A 69 -1.068 0.403 -13.648 1.00 43.12 H new ATOM 0 HB2 ALA A 69 0.323 -0.466 -14.339 1.00 43.12 H new ATOM 0 HB3 ALA A 69 -0.148 -0.743 -12.645 1.00 43.12 H new ATOM 1102 N ASP A 70 0.770 1.503 -10.604 1.00 52.32 N ATOM 1103 CA ASP A 70 0.287 2.103 -9.359 1.00 72.54 C ATOM 1104 C ASP A 70 0.851 3.496 -9.134 1.00 42.44 C ATOM 1105 O ASP A 70 0.363 4.237 -8.288 1.00 55.53 O ATOM 1106 CB ASP A 70 0.593 1.210 -8.154 1.00 23.02 C ATOM 1107 CG ASP A 70 -0.411 0.095 -7.988 1.00 72.43 C ATOM 1108 OD1 ASP A 70 -1.509 0.357 -7.446 1.00 52.25 O ATOM 1109 OD2 ASP A 70 -0.119 -1.044 -8.401 1.00 51.24 O ATOM 0 H ASP A 70 1.509 0.811 -10.480 1.00 52.32 H new ATOM 0 HA ASP A 70 -0.794 2.195 -9.461 1.00 72.54 H new ATOM 0 HB2 ASP A 70 1.589 0.783 -8.267 1.00 23.02 H new ATOM 0 HB3 ASP A 70 0.607 1.819 -7.250 1.00 23.02 H new ATOM 1114 N LYS A 71 1.885 3.853 -9.887 1.00 75.00 N ATOM 1115 CA LYS A 71 2.491 5.188 -9.777 1.00 63.53 C ATOM 1116 C LYS A 71 1.466 6.289 -10.092 1.00 70.33 C ATOM 1117 O LYS A 71 1.599 7.431 -9.649 1.00 33.11 O ATOM 1118 CB LYS A 71 3.687 5.328 -10.722 1.00 21.42 C ATOM 1119 CG LYS A 71 3.309 5.319 -12.188 1.00 2.03 C ATOM 1120 CD LYS A 71 4.404 5.912 -13.050 1.00 71.42 C ATOM 1121 CE LYS A 71 3.973 5.993 -14.506 1.00 54.44 C ATOM 1122 NZ LYS A 71 2.672 6.704 -14.669 1.00 13.11 N ATOM 0 H LYS A 71 2.324 3.245 -10.579 1.00 75.00 H new ATOM 0 HA LYS A 71 2.832 5.303 -8.748 1.00 63.53 H new ATOM 0 HB2 LYS A 71 4.210 6.257 -10.497 1.00 21.42 H new ATOM 0 HB3 LYS A 71 4.387 4.514 -10.531 1.00 21.42 H new ATOM 0 HG2 LYS A 71 3.109 4.296 -12.506 1.00 2.03 H new ATOM 0 HG3 LYS A 71 2.387 5.883 -12.330 1.00 2.03 H new ATOM 0 HD2 LYS A 71 4.657 6.908 -12.687 1.00 71.42 H new ATOM 0 HD3 LYS A 71 5.305 5.304 -12.968 1.00 71.42 H new ATOM 0 HE2 LYS A 71 4.741 6.508 -15.083 1.00 54.44 H new ATOM 0 HE3 LYS A 71 3.889 4.986 -14.915 1.00 54.44 H new ATOM 0 HZ1 LYS A 71 2.643 7.165 -15.601 1.00 13.11 H new ATOM 0 HZ2 LYS A 71 1.891 6.021 -14.596 1.00 13.11 H new ATOM 0 HZ3 LYS A 71 2.573 7.423 -13.924 1.00 13.11 H new ATOM 1136 N ALA A 72 0.430 5.907 -10.821 1.00 4.43 N ATOM 1137 CA ALA A 72 -0.617 6.816 -11.274 1.00 74.11 C ATOM 1138 C ALA A 72 -1.428 7.428 -10.122 1.00 55.31 C ATOM 1139 O ALA A 72 -2.249 8.322 -10.348 1.00 31.11 O ATOM 1140 CB ALA A 72 -1.537 6.106 -12.250 1.00 43.51 C ATOM 0 H ALA A 72 0.288 4.942 -11.121 1.00 4.43 H new ATOM 0 HA ALA A 72 -0.118 7.646 -11.774 1.00 74.11 H new ATOM 0 HB1 ALA A 72 -2.315 6.793 -12.582 1.00 43.51 H new ATOM 0 HB2 ALA A 72 -0.961 5.766 -13.111 1.00 43.51 H new ATOM 0 HB3 ALA A 72 -1.996 5.248 -11.759 1.00 43.51 H new ATOM 1146 N ARG A 73 -1.197 6.967 -8.894 1.00 35.30 N ATOM 1147 CA ARG A 73 -1.999 7.429 -7.770 1.00 43.13 C ATOM 1148 C ARG A 73 -1.396 8.662 -7.101 1.00 22.02 C ATOM 1149 O ARG A 73 -2.115 9.467 -6.528 1.00 62.32 O ATOM 1150 CB ARG A 73 -2.261 6.295 -6.739 1.00 51.20 C ATOM 1151 CG ARG A 73 -1.018 5.671 -6.081 1.00 35.43 C ATOM 1152 CD ARG A 73 -0.417 6.552 -4.986 1.00 23.41 C ATOM 1153 NE ARG A 73 -1.382 6.877 -3.934 1.00 23.11 N ATOM 1154 CZ ARG A 73 -1.116 7.656 -2.877 1.00 74.34 C ATOM 1155 NH1 ARG A 73 0.104 8.149 -2.694 1.00 31.03 N ATOM 1156 NH2 ARG A 73 -2.065 7.926 -1.996 1.00 23.41 N ATOM 0 H ARG A 73 -0.475 6.287 -8.657 1.00 35.30 H new ATOM 0 HA ARG A 73 -2.965 7.726 -8.179 1.00 43.13 H new ATOM 0 HB2 ARG A 73 -2.903 6.690 -5.952 1.00 51.20 H new ATOM 0 HB3 ARG A 73 -2.819 5.502 -7.237 1.00 51.20 H new ATOM 0 HG2 ARG A 73 -1.286 4.704 -5.656 1.00 35.43 H new ATOM 0 HG3 ARG A 73 -0.263 5.485 -6.845 1.00 35.43 H new ATOM 0 HD2 ARG A 73 0.439 6.043 -4.544 1.00 23.41 H new ATOM 0 HD3 ARG A 73 -0.045 7.475 -5.431 1.00 23.41 H new ATOM 0 HE ARG A 73 -2.320 6.484 -4.011 1.00 23.11 H new ATOM 0 HH11 ARG A 73 0.846 7.935 -3.361 1.00 31.03 H new ATOM 0 HH12 ARG A 73 0.299 8.741 -1.887 1.00 31.03 H new ATOM 0 HH21 ARG A 73 -3.001 7.541 -2.121 1.00 23.41 H new ATOM 0 HH22 ARG A 73 -1.861 8.519 -1.192 1.00 23.41 H new ATOM 1170 N TYR A 74 -0.076 8.817 -7.184 1.00 72.40 N ATOM 1171 CA TYR A 74 0.571 9.951 -6.530 1.00 53.44 C ATOM 1172 C TYR A 74 0.812 11.097 -7.490 1.00 2.20 C ATOM 1173 O TYR A 74 0.966 12.243 -7.068 1.00 72.02 O ATOM 1174 CB TYR A 74 1.882 9.544 -5.830 1.00 2.32 C ATOM 1175 CG TYR A 74 2.939 8.914 -6.724 1.00 2.12 C ATOM 1176 CD1 TYR A 74 3.726 9.691 -7.568 1.00 40.13 C ATOM 1177 CD2 TYR A 74 3.161 7.546 -6.702 1.00 13.42 C ATOM 1178 CE1 TYR A 74 4.699 9.118 -8.363 1.00 65.12 C ATOM 1179 CE2 TYR A 74 4.131 6.967 -7.491 1.00 24.11 C ATOM 1180 CZ TYR A 74 4.897 7.756 -8.320 1.00 40.41 C ATOM 1181 OH TYR A 74 5.861 7.175 -9.110 1.00 33.53 O ATOM 0 H TYR A 74 0.553 8.189 -7.684 1.00 72.40 H new ATOM 0 HA TYR A 74 -0.122 10.298 -5.763 1.00 53.44 H new ATOM 0 HB2 TYR A 74 2.311 10.429 -5.359 1.00 2.32 H new ATOM 0 HB3 TYR A 74 1.643 8.842 -5.031 1.00 2.32 H new ATOM 0 HD1 TYR A 74 3.574 10.760 -7.602 1.00 40.13 H new ATOM 0 HD2 TYR A 74 2.563 6.922 -6.054 1.00 13.42 H new ATOM 0 HE1 TYR A 74 5.301 9.734 -9.014 1.00 65.12 H new ATOM 0 HE2 TYR A 74 4.290 5.899 -7.459 1.00 24.11 H new ATOM 0 HH TYR A 74 5.870 6.207 -8.957 1.00 33.53 H new ATOM 1191 N GLU A 75 0.838 10.790 -8.777 1.00 63.40 N ATOM 1192 CA GLU A 75 1.074 11.801 -9.791 1.00 64.34 C ATOM 1193 C GLU A 75 0.012 12.898 -9.725 1.00 11.11 C ATOM 1194 O GLU A 75 0.328 14.042 -9.397 1.00 1.53 O ATOM 1195 CB GLU A 75 1.146 11.164 -11.176 1.00 33.42 C ATOM 1196 CG GLU A 75 2.265 10.139 -11.295 1.00 51.30 C ATOM 1197 CD GLU A 75 2.394 9.560 -12.681 1.00 52.11 C ATOM 1198 OE1 GLU A 75 1.740 8.546 -12.970 1.00 70.32 O ATOM 1199 OE2 GLU A 75 3.163 10.112 -13.488 1.00 22.33 O ATOM 0 H GLU A 75 0.698 9.848 -9.143 1.00 63.40 H new ATOM 0 HA GLU A 75 2.037 12.272 -9.594 1.00 64.34 H new ATOM 0 HB2 GLU A 75 0.194 10.683 -11.400 1.00 33.42 H new ATOM 0 HB3 GLU A 75 1.293 11.944 -11.923 1.00 33.42 H new ATOM 0 HG2 GLU A 75 3.209 10.606 -11.014 1.00 51.30 H new ATOM 0 HG3 GLU A 75 2.086 9.331 -10.586 1.00 51.30 H new ATOM 1206 N ARG A 76 -1.244 12.552 -10.055 1.00 70.44 N ATOM 1207 CA ARG A 76 -2.386 13.491 -9.946 1.00 73.15 C ATOM 1208 C ARG A 76 -2.383 14.292 -8.624 1.00 51.22 C ATOM 1209 O ARG A 76 -2.805 15.448 -8.593 1.00 23.12 O ATOM 1210 CB ARG A 76 -3.726 12.738 -10.067 1.00 2.11 C ATOM 1211 CG ARG A 76 -4.105 11.963 -8.810 1.00 54.21 C ATOM 1212 CD ARG A 76 -5.564 11.543 -8.810 1.00 15.34 C ATOM 1213 NE ARG A 76 -6.028 11.245 -7.453 1.00 11.34 N ATOM 1214 CZ ARG A 76 -7.046 10.436 -7.149 1.00 22.33 C ATOM 1215 NH1 ARG A 76 -7.752 9.850 -8.109 1.00 23.35 N ATOM 1216 NH2 ARG A 76 -7.367 10.235 -5.879 1.00 72.41 N ATOM 0 H ARG A 76 -1.500 11.627 -10.401 1.00 70.44 H new ATOM 0 HA ARG A 76 -2.273 14.197 -10.769 1.00 73.15 H new ATOM 0 HB2 ARG A 76 -4.516 13.453 -10.295 1.00 2.11 H new ATOM 0 HB3 ARG A 76 -3.670 12.046 -10.907 1.00 2.11 H new ATOM 0 HG2 ARG A 76 -3.474 11.078 -8.728 1.00 54.21 H new ATOM 0 HG3 ARG A 76 -3.906 12.579 -7.933 1.00 54.21 H new ATOM 0 HD2 ARG A 76 -6.174 12.337 -9.240 1.00 15.34 H new ATOM 0 HD3 ARG A 76 -5.693 10.665 -9.443 1.00 15.34 H new ATOM 0 HE ARG A 76 -5.535 11.691 -6.679 1.00 11.34 H new ATOM 0 HH11 ARG A 76 -7.518 10.016 -9.088 1.00 23.35 H new ATOM 0 HH12 ARG A 76 -8.528 9.234 -7.868 1.00 23.35 H new ATOM 0 HH21 ARG A 76 -6.837 10.697 -5.140 1.00 72.41 H new ATOM 0 HH22 ARG A 76 -8.144 9.618 -5.641 1.00 72.41 H new ATOM 1230 N GLU A 77 -1.891 13.681 -7.555 1.00 32.40 N ATOM 1231 CA GLU A 77 -1.907 14.307 -6.241 1.00 24.15 C ATOM 1232 C GLU A 77 -0.810 15.356 -6.117 1.00 11.24 C ATOM 1233 O GLU A 77 -1.057 16.482 -5.682 1.00 3.20 O ATOM 1234 CB GLU A 77 -1.742 13.249 -5.150 1.00 60.02 C ATOM 1235 CG GLU A 77 -2.842 12.202 -5.128 1.00 43.14 C ATOM 1236 CD GLU A 77 -4.199 12.782 -4.802 1.00 14.22 C ATOM 1237 OE1 GLU A 77 -4.507 12.941 -3.607 1.00 54.02 O ATOM 1238 OE2 GLU A 77 -4.975 13.066 -5.737 1.00 74.03 O ATOM 0 H GLU A 77 -1.475 12.750 -7.573 1.00 32.40 H new ATOM 0 HA GLU A 77 -2.869 14.804 -6.118 1.00 24.15 H new ATOM 0 HB2 GLU A 77 -0.783 12.749 -5.286 1.00 60.02 H new ATOM 0 HB3 GLU A 77 -1.708 13.745 -4.180 1.00 60.02 H new ATOM 0 HG2 GLU A 77 -2.887 11.709 -6.099 1.00 43.14 H new ATOM 0 HG3 GLU A 77 -2.593 11.436 -4.393 1.00 43.14 H new ATOM 1245 N MET A 78 0.392 14.988 -6.522 1.00 3.21 N ATOM 1246 CA MET A 78 1.544 15.870 -6.412 1.00 5.24 C ATOM 1247 C MET A 78 1.531 16.957 -7.485 1.00 21.54 C ATOM 1248 O MET A 78 1.971 18.079 -7.243 1.00 55.32 O ATOM 1249 CB MET A 78 2.845 15.061 -6.495 1.00 22.40 C ATOM 1250 CG MET A 78 4.107 15.912 -6.473 1.00 2.32 C ATOM 1251 SD MET A 78 4.272 16.891 -4.969 1.00 73.25 S ATOM 1252 CE MET A 78 5.724 17.858 -5.375 1.00 53.21 C ATOM 0 H MET A 78 0.598 14.078 -6.933 1.00 3.21 H new ATOM 0 HA MET A 78 1.488 16.362 -5.441 1.00 5.24 H new ATOM 0 HB2 MET A 78 2.878 14.359 -5.662 1.00 22.40 H new ATOM 0 HB3 MET A 78 2.835 14.469 -7.410 1.00 22.40 H new ATOM 0 HG2 MET A 78 4.977 15.264 -6.575 1.00 2.32 H new ATOM 0 HG3 MET A 78 4.104 16.579 -7.335 1.00 2.32 H new ATOM 0 HE1 MET A 78 6.151 18.273 -4.462 1.00 53.21 H new ATOM 0 HE2 MET A 78 6.461 17.220 -5.863 1.00 53.21 H new ATOM 0 HE3 MET A 78 5.444 18.670 -6.047 1.00 53.21 H new ATOM 1262 N LYS A 79 0.996 16.631 -8.656 1.00 0.25 N ATOM 1263 CA LYS A 79 0.983 17.567 -9.785 1.00 73.44 C ATOM 1264 C LYS A 79 0.180 18.842 -9.483 1.00 74.43 C ATOM 1265 O LYS A 79 0.298 19.839 -10.197 1.00 63.05 O ATOM 1266 CB LYS A 79 0.452 16.892 -11.066 1.00 62.24 C ATOM 1267 CG LYS A 79 -1.063 16.719 -11.121 1.00 41.42 C ATOM 1268 CD LYS A 79 -1.486 16.015 -12.406 1.00 13.33 C ATOM 1269 CE LYS A 79 -3.002 15.995 -12.574 1.00 15.13 C ATOM 1270 NZ LYS A 79 -3.560 17.352 -12.794 1.00 23.25 N ATOM 0 H LYS A 79 0.565 15.728 -8.853 1.00 0.25 H new ATOM 0 HA LYS A 79 2.019 17.864 -9.949 1.00 73.44 H new ATOM 0 HB2 LYS A 79 0.767 17.481 -11.927 1.00 62.24 H new ATOM 0 HB3 LYS A 79 0.919 15.912 -11.163 1.00 62.24 H new ATOM 0 HG2 LYS A 79 -1.398 16.142 -10.259 1.00 41.42 H new ATOM 0 HG3 LYS A 79 -1.546 17.694 -11.060 1.00 41.42 H new ATOM 0 HD2 LYS A 79 -1.033 16.518 -13.261 1.00 13.33 H new ATOM 0 HD3 LYS A 79 -1.108 14.993 -12.400 1.00 13.33 H new ATOM 0 HE2 LYS A 79 -3.264 15.355 -13.417 1.00 15.13 H new ATOM 0 HE3 LYS A 79 -3.458 15.556 -11.687 1.00 15.13 H new ATOM 0 HZ1 LYS A 79 -4.550 17.274 -13.103 1.00 23.25 H new ATOM 0 HZ2 LYS A 79 -3.515 17.894 -11.907 1.00 23.25 H new ATOM 0 HZ3 LYS A 79 -3.006 17.840 -13.526 1.00 23.25 H new ATOM 1284 N THR A 80 -0.620 18.811 -8.429 1.00 2.41 N ATOM 1285 CA THR A 80 -1.424 19.960 -8.065 1.00 71.23 C ATOM 1286 C THR A 80 -1.238 20.325 -6.584 1.00 3.30 C ATOM 1287 O THR A 80 -1.916 21.217 -6.067 1.00 54.34 O ATOM 1288 CB THR A 80 -2.922 19.701 -8.362 1.00 15.54 C ATOM 1289 OG1 THR A 80 -3.699 20.883 -8.108 1.00 62.15 O ATOM 1290 CG2 THR A 80 -3.453 18.548 -7.517 1.00 61.04 C ATOM 0 H THR A 80 -0.728 18.004 -7.814 1.00 2.41 H new ATOM 0 HA THR A 80 -1.085 20.801 -8.671 1.00 71.23 H new ATOM 0 HB THR A 80 -3.011 19.434 -9.415 1.00 15.54 H new ATOM 0 HG1 THR A 80 -3.320 21.366 -7.344 1.00 62.15 H new ATOM 0 HG21 THR A 80 -4.507 18.386 -7.744 1.00 61.04 H new ATOM 0 HG22 THR A 80 -2.890 17.642 -7.742 1.00 61.04 H new ATOM 0 HG23 THR A 80 -3.343 18.791 -6.460 1.00 61.04 H new ATOM 1298 N TYR A 81 -0.312 19.652 -5.917 1.00 4.00 N ATOM 1299 CA TYR A 81 -0.063 19.901 -4.501 1.00 44.20 C ATOM 1300 C TYR A 81 1.034 20.944 -4.333 1.00 4.14 C ATOM 1301 O TYR A 81 1.955 21.020 -5.150 1.00 41.12 O ATOM 1302 CB TYR A 81 0.334 18.593 -3.782 1.00 12.51 C ATOM 1303 CG TYR A 81 0.481 18.727 -2.273 1.00 62.40 C ATOM 1304 CD1 TYR A 81 -0.613 18.569 -1.432 1.00 4.42 C ATOM 1305 CD2 TYR A 81 1.709 19.020 -1.696 1.00 71.31 C ATOM 1306 CE1 TYR A 81 -0.488 18.699 -0.062 1.00 10.23 C ATOM 1307 CE2 TYR A 81 1.842 19.154 -0.326 1.00 4.34 C ATOM 1308 CZ TYR A 81 0.742 18.994 0.484 1.00 34.21 C ATOM 1309 OH TYR A 81 0.874 19.128 1.851 1.00 43.42 O ATOM 0 H TYR A 81 0.279 18.931 -6.330 1.00 4.00 H new ATOM 0 HA TYR A 81 -0.981 20.280 -4.052 1.00 44.20 H new ATOM 0 HB2 TYR A 81 -0.417 17.832 -3.996 1.00 12.51 H new ATOM 0 HB3 TYR A 81 1.277 18.236 -4.197 1.00 12.51 H new ATOM 0 HD1 TYR A 81 -1.579 18.340 -1.857 1.00 4.42 H new ATOM 0 HD2 TYR A 81 2.576 19.146 -2.328 1.00 71.31 H new ATOM 0 HE1 TYR A 81 -1.349 18.570 0.577 1.00 10.23 H new ATOM 0 HE2 TYR A 81 2.805 19.383 0.106 1.00 4.34 H new ATOM 0 HH TYR A 81 1.806 19.335 2.071 1.00 43.42 H new ATOM 1319 N ILE A 82 0.923 21.755 -3.291 1.00 73.23 N ATOM 1320 CA ILE A 82 1.931 22.760 -2.985 1.00 1.34 C ATOM 1321 C ILE A 82 2.908 22.196 -1.952 1.00 31.04 C ATOM 1322 O ILE A 82 2.605 22.162 -0.756 1.00 53.32 O ATOM 1323 CB ILE A 82 1.290 24.060 -2.429 1.00 54.20 C ATOM 1324 CG1 ILE A 82 0.214 24.594 -3.393 1.00 52.04 C ATOM 1325 CG2 ILE A 82 2.356 25.120 -2.170 1.00 35.43 C ATOM 1326 CD1 ILE A 82 0.725 24.900 -4.788 1.00 3.23 C ATOM 0 H ILE A 82 0.139 21.736 -2.639 1.00 73.23 H new ATOM 0 HA ILE A 82 2.454 23.009 -3.908 1.00 1.34 H new ATOM 0 HB ILE A 82 0.809 23.822 -1.480 1.00 54.20 H new ATOM 0 HG12 ILE A 82 -0.589 23.861 -3.465 1.00 52.04 H new ATOM 0 HG13 ILE A 82 -0.219 25.500 -2.970 1.00 52.04 H new ATOM 0 HG21 ILE A 82 1.885 26.022 -1.781 1.00 35.43 H new ATOM 0 HG22 ILE A 82 3.075 24.743 -1.442 1.00 35.43 H new ATOM 0 HG23 ILE A 82 2.872 25.353 -3.102 1.00 35.43 H new ATOM 0 HD11 ILE A 82 -0.095 25.271 -5.403 1.00 3.23 H new ATOM 0 HD12 ILE A 82 1.507 25.657 -4.731 1.00 3.23 H new ATOM 0 HD13 ILE A 82 1.131 23.992 -5.234 1.00 3.23 H new ATOM 1338 N PRO A 83 4.085 21.733 -2.398 1.00 65.54 N ATOM 1339 CA PRO A 83 5.066 21.098 -1.520 1.00 50.11 C ATOM 1340 C PRO A 83 5.824 22.098 -0.648 1.00 34.05 C ATOM 1341 O PRO A 83 6.040 23.251 -1.048 1.00 60.20 O ATOM 1342 CB PRO A 83 6.016 20.417 -2.501 1.00 34.44 C ATOM 1343 CG PRO A 83 5.967 21.271 -3.718 1.00 21.23 C ATOM 1344 CD PRO A 83 4.562 21.806 -3.794 1.00 11.30 C ATOM 0 HA PRO A 83 4.594 20.420 -0.810 1.00 50.11 H new ATOM 0 HB2 PRO A 83 7.027 20.357 -2.098 1.00 34.44 H new ATOM 0 HB3 PRO A 83 5.699 19.397 -2.718 1.00 34.44 H new ATOM 0 HG2 PRO A 83 6.691 22.083 -3.654 1.00 21.23 H new ATOM 0 HG3 PRO A 83 6.214 20.694 -4.609 1.00 21.23 H new ATOM 0 HD2 PRO A 83 4.542 22.828 -4.171 1.00 11.30 H new ATOM 0 HD3 PRO A 83 3.941 21.208 -4.461 1.00 11.30 H new ATOM 1352 N PRO A 84 6.215 21.669 0.572 1.00 70.53 N ATOM 1353 CA PRO A 84 6.999 22.495 1.498 1.00 32.24 C ATOM 1354 C PRO A 84 8.286 22.988 0.852 1.00 41.31 C ATOM 1355 O PRO A 84 8.895 22.284 0.035 1.00 13.45 O ATOM 1356 CB PRO A 84 7.321 21.537 2.647 1.00 65.11 C ATOM 1357 CG PRO A 84 6.237 20.522 2.603 1.00 73.41 C ATOM 1358 CD PRO A 84 5.899 20.349 1.151 1.00 72.43 C ATOM 0 HA PRO A 84 6.460 23.389 1.813 1.00 32.24 H new ATOM 0 HB2 PRO A 84 8.301 21.077 2.517 1.00 65.11 H new ATOM 0 HB3 PRO A 84 7.338 22.058 3.604 1.00 65.11 H new ATOM 0 HG2 PRO A 84 6.565 19.580 3.043 1.00 73.41 H new ATOM 0 HG3 PRO A 84 5.367 20.854 3.170 1.00 73.41 H new ATOM 0 HD2 PRO A 84 6.489 19.556 0.692 1.00 72.43 H new ATOM 0 HD3 PRO A 84 4.850 20.088 1.010 1.00 72.43 H new ATOM 1366 N LYS A 85 8.699 24.186 1.212 1.00 40.13 N ATOM 1367 CA LYS A 85 9.886 24.785 0.629 1.00 55.04 C ATOM 1368 C LYS A 85 11.164 24.250 1.274 1.00 14.23 C ATOM 1369 O LYS A 85 12.235 24.296 0.668 1.00 73.14 O ATOM 1370 CB LYS A 85 9.824 26.309 0.731 1.00 1.11 C ATOM 1371 CG LYS A 85 9.763 26.837 2.153 1.00 51.15 C ATOM 1372 CD LYS A 85 9.544 28.342 2.181 1.00 54.02 C ATOM 1373 CE LYS A 85 8.167 28.713 1.647 1.00 40.20 C ATOM 1374 NZ LYS A 85 7.932 30.173 1.690 1.00 62.02 N ATOM 0 H LYS A 85 8.230 24.767 1.907 1.00 40.13 H new ATOM 0 HA LYS A 85 9.912 24.508 -0.425 1.00 55.04 H new ATOM 0 HB2 LYS A 85 10.699 26.731 0.236 1.00 1.11 H new ATOM 0 HB3 LYS A 85 8.949 26.663 0.186 1.00 1.11 H new ATOM 0 HG2 LYS A 85 8.956 26.341 2.692 1.00 51.15 H new ATOM 0 HG3 LYS A 85 10.690 26.594 2.672 1.00 51.15 H new ATOM 0 HD2 LYS A 85 9.651 28.708 3.202 1.00 54.02 H new ATOM 0 HD3 LYS A 85 10.312 28.834 1.584 1.00 54.02 H new ATOM 0 HE2 LYS A 85 8.069 28.360 0.620 1.00 40.20 H new ATOM 0 HE3 LYS A 85 7.401 28.205 2.233 1.00 40.20 H new ATOM 0 HZ1 LYS A 85 6.984 30.383 1.318 1.00 62.02 H new ATOM 0 HZ2 LYS A 85 8.000 30.507 2.673 1.00 62.02 H new ATOM 0 HZ3 LYS A 85 8.647 30.657 1.110 1.00 62.02 H new ATOM 1388 N GLY A 86 11.056 23.753 2.491 1.00 61.23 N ATOM 1389 CA GLY A 86 12.215 23.210 3.158 1.00 52.00 C ATOM 1390 C GLY A 86 12.345 23.717 4.569 1.00 74.34 C ATOM 1391 O GLY A 86 12.826 24.832 4.799 1.00 43.13 O ATOM 0 H GLY A 86 10.190 23.715 3.028 1.00 61.23 H new ATOM 0 HA2 GLY A 86 12.150 22.122 3.169 1.00 52.00 H new ATOM 0 HA3 GLY A 86 13.112 23.470 2.596 1.00 52.00 H new ATOM 1395 N GLU A 87 11.907 22.919 5.514 1.00 31.02 N ATOM 1396 CA GLU A 87 11.976 23.290 6.906 1.00 61.52 C ATOM 1397 C GLU A 87 13.057 22.478 7.605 1.00 21.15 C ATOM 1398 O GLU A 87 12.718 21.544 8.358 1.00 0.00 O ATOM 1399 CB GLU A 87 10.615 23.085 7.599 1.00 51.22 C ATOM 1400 CG GLU A 87 9.463 23.909 7.012 1.00 52.03 C ATOM 1401 CD GLU A 87 8.999 23.414 5.649 1.00 13.12 C ATOM 1402 OE1 GLU A 87 8.428 22.304 5.583 1.00 53.41 O ATOM 1403 OE2 GLU A 87 9.196 24.136 4.643 1.00 51.01 O ATOM 1404 OXT GLU A 87 14.249 22.756 7.370 1.00 0.00 O ATOM 0 H GLU A 87 11.496 22.002 5.341 1.00 31.02 H new ATOM 0 HA GLU A 87 12.229 24.348 6.970 1.00 61.52 H new ATOM 0 HB2 GLU A 87 10.351 22.029 7.545 1.00 51.22 H new ATOM 0 HB3 GLU A 87 10.720 23.334 8.655 1.00 51.22 H new ATOM 0 HG2 GLU A 87 8.621 23.887 7.704 1.00 52.03 H new ATOM 0 HG3 GLU A 87 9.777 24.949 6.925 1.00 52.03 H new TER 1411 GLU A 87