USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 560 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 44 TYR OH : rot 83:sc= 0.096 USER MOD Set 1.2: A 57 MET CE :methyl 161:sc= -1.8 (180deg=-3.94!) USER MOD Set 2.1: A 41 MET CE :methyl 139:sc= -0.107 (180deg=-0.532) USER MOD Set 2.2: A 76 MET CE :methyl 177:sc= -0.859 (180deg=-0.837) USER MOD Set 3.1: A 9 SER OG : rot -66:sc= 1.08 USER MOD Set 3.2: A 10 CYS SG : rot 180:sc= -0.685 USER MOD Single : A 7 TYR OH : rot -142:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ -172:sc= 0.202 (180deg=0.0772) USER MOD Single : A 13 CYS SG : rot 180:sc= -0.644 USER MOD Single : A 14 HIS : no HD1:sc= -2.04! X(o=-2!,f=-1.6) USER MOD Single : A 19 SER OG : rot -92:sc= 1.34 USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 1.29 (180deg=0.99) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00321 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.24 (180deg=0.709) USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-0.24) USER MOD Single : A 38 TYR OH : rot 7:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0404) USER MOD Single : A 40 LYS NZ :NH3+ -122:sc= 0.177 (180deg=0.102) USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= 0.485 (180deg=0.194) USER MOD Single : A 48 SER OG : rot -46:sc= 0.776 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= 0.864 (180deg=0.714) USER MOD Single : A 56 MET CE :methyl -176:sc= 0 (180deg=-0.0339) USER MOD Single : A 58 THR OG1 : rot -88:sc= 0.211 USER MOD Single : A 59 ASN : amide:sc= 0.0676 X(o=0.068,f=-0.053) USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= 0.791 (180deg=0.252) USER MOD Single : A 63 LYS NZ :NH3+ 172:sc=-0.00315 (180deg=-0.102) USER MOD Single : A 65 SER OG : rot 180:sc= 0.0406 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -47:sc= 0.818 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N GLY A 3 1.411 -10.020 -4.219 1.00 0.00 N ATOM 26 CA GLY A 3 1.632 -8.597 -4.027 1.00 0.00 C ATOM 27 C GLY A 3 2.916 -8.063 -4.662 1.00 0.00 C ATOM 28 O GLY A 3 2.947 -6.915 -5.099 1.00 0.00 O ATOM 0 HA2 GLY A 3 0.783 -8.052 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 3 1.656 -8.387 -2.958 1.00 0.00 H new ATOM 32 N ALA A 4 3.980 -8.869 -4.727 1.00 0.00 N ATOM 33 CA ALA A 4 5.233 -8.456 -5.342 1.00 0.00 C ATOM 34 C ALA A 4 5.028 -7.927 -6.763 1.00 0.00 C ATOM 35 O ALA A 4 5.728 -7.008 -7.185 1.00 0.00 O ATOM 36 CB ALA A 4 6.231 -9.617 -5.330 1.00 0.00 C ATOM 0 H ALA A 4 3.992 -9.819 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 4 5.638 -7.633 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.165 -9.298 -5.792 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.421 -9.923 -4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.818 -10.457 -5.888 1.00 0.00 H new ATOM 42 N ALA A 5 4.077 -8.503 -7.507 1.00 0.00 N ATOM 43 CA ALA A 5 3.767 -8.024 -8.844 1.00 0.00 C ATOM 44 C ALA A 5 3.117 -6.643 -8.747 1.00 0.00 C ATOM 45 O ALA A 5 3.577 -5.684 -9.362 1.00 0.00 O ATOM 46 CB ALA A 5 2.855 -9.029 -9.554 1.00 0.00 C ATOM 0 H ALA A 5 3.515 -9.297 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 5 4.680 -7.930 -9.432 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.625 -8.667 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.360 -9.992 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.930 -9.144 -8.988 1.00 0.00 H new ATOM 52 N LEU A 6 2.056 -6.551 -7.942 1.00 0.00 N ATOM 53 CA LEU A 6 1.271 -5.346 -7.731 1.00 0.00 C ATOM 54 C LEU A 6 2.176 -4.170 -7.370 1.00 0.00 C ATOM 55 O LEU A 6 2.087 -3.097 -7.969 1.00 0.00 O ATOM 56 CB LEU A 6 0.262 -5.586 -6.607 1.00 0.00 C ATOM 57 CG LEU A 6 -0.939 -6.447 -7.015 1.00 0.00 C ATOM 58 CD1 LEU A 6 -0.607 -7.861 -7.506 1.00 0.00 C ATOM 59 CD2 LEU A 6 -1.851 -6.551 -5.792 1.00 0.00 C ATOM 0 H LEU A 6 1.713 -7.346 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 6 0.743 -5.105 -8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.772 -6.066 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.101 -4.623 -6.248 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.402 -5.955 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.529 -8.381 -7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.037 -7.800 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.093 -8.409 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.722 -7.158 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.306 -7.015 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.176 -5.554 -5.494 1.00 0.00 H new ATOM 71 N TYR A 7 3.061 -4.394 -6.394 1.00 0.00 N ATOM 72 CA TYR A 7 3.956 -3.383 -5.858 1.00 0.00 C ATOM 73 C TYR A 7 4.697 -2.588 -6.936 1.00 0.00 C ATOM 74 O TYR A 7 4.969 -1.403 -6.747 1.00 0.00 O ATOM 75 CB TYR A 7 4.939 -4.003 -4.860 1.00 0.00 C ATOM 76 CG TYR A 7 5.754 -2.951 -4.131 1.00 0.00 C ATOM 77 CD1 TYR A 7 5.092 -2.006 -3.326 1.00 0.00 C ATOM 78 CD2 TYR A 7 7.119 -2.776 -4.426 1.00 0.00 C ATOM 79 CE1 TYR A 7 5.789 -0.905 -2.808 1.00 0.00 C ATOM 80 CE2 TYR A 7 7.825 -1.690 -3.878 1.00 0.00 C ATOM 81 CZ TYR A 7 7.151 -0.743 -3.090 1.00 0.00 C ATOM 82 OH TYR A 7 7.775 0.398 -2.699 1.00 0.00 O ATOM 0 H TYR A 7 3.172 -5.306 -5.950 1.00 0.00 H new ATOM 0 HA TYR A 7 3.325 -2.664 -5.336 1.00 0.00 H new ATOM 0 HB2 TYR A 7 4.388 -4.601 -4.134 1.00 0.00 H new ATOM 0 HB3 TYR A 7 5.611 -4.680 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 7 4.042 -2.129 -3.106 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.625 -3.476 -5.074 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.275 -0.182 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 7 8.884 -1.585 -4.063 1.00 0.00 H new ATOM 0 HH TYR A 7 8.417 0.672 -3.387 1.00 0.00 H new ATOM 92 N LYS A 8 5.006 -3.217 -8.074 1.00 0.00 N ATOM 93 CA LYS A 8 5.721 -2.561 -9.157 1.00 0.00 C ATOM 94 C LYS A 8 5.037 -1.263 -9.607 1.00 0.00 C ATOM 95 O LYS A 8 5.719 -0.347 -10.056 1.00 0.00 O ATOM 96 CB LYS A 8 5.945 -3.545 -10.312 1.00 0.00 C ATOM 97 CG LYS A 8 6.795 -4.732 -9.834 1.00 0.00 C ATOM 98 CD LYS A 8 7.104 -5.698 -10.983 1.00 0.00 C ATOM 99 CE LYS A 8 8.072 -6.798 -10.527 1.00 0.00 C ATOM 100 NZ LYS A 8 7.475 -7.683 -9.508 1.00 0.00 N ATOM 0 H LYS A 8 4.766 -4.190 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 8 6.699 -2.256 -8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.986 -3.902 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.444 -3.040 -11.139 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.727 -4.364 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.268 -5.263 -9.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.179 -6.148 -11.344 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.538 -5.149 -11.818 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.375 -7.393 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 8 8.975 -6.340 -10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.205 -8.322 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.087 -7.108 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.712 -8.243 -9.939 1.00 0.00 H new ATOM 114 N SER A 9 3.709 -1.156 -9.469 1.00 0.00 N ATOM 115 CA SER A 9 2.998 0.070 -9.828 1.00 0.00 C ATOM 116 C SER A 9 3.208 1.190 -8.794 1.00 0.00 C ATOM 117 O SER A 9 3.057 2.365 -9.115 1.00 0.00 O ATOM 118 CB SER A 9 1.511 -0.233 -10.045 1.00 0.00 C ATOM 119 OG SER A 9 0.908 -0.788 -8.892 1.00 0.00 O ATOM 0 H SER A 9 3.111 -1.902 -9.113 1.00 0.00 H new ATOM 0 HA SER A 9 3.416 0.442 -10.763 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.991 0.685 -10.320 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.400 -0.925 -10.880 1.00 0.00 H new ATOM 0 HG SER A 9 1.290 -1.673 -8.717 1.00 0.00 H new ATOM 125 N CYS A 10 3.530 0.822 -7.551 1.00 0.00 N ATOM 126 CA CYS A 10 3.738 1.714 -6.413 1.00 0.00 C ATOM 127 C CYS A 10 5.156 2.283 -6.445 1.00 0.00 C ATOM 128 O CYS A 10 5.408 3.420 -6.022 1.00 0.00 O ATOM 129 CB CYS A 10 3.475 0.956 -5.116 1.00 0.00 C ATOM 130 SG CYS A 10 2.130 -0.246 -5.206 1.00 0.00 S ATOM 0 H CYS A 10 3.659 -0.158 -7.301 1.00 0.00 H new ATOM 0 HA CYS A 10 3.041 2.550 -6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.388 0.438 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.249 1.676 -4.329 1.00 0.00 H new ATOM 0 HG CYS A 10 1.994 -0.833 -4.054 1.00 0.00 H new ATOM 135 N ILE A 11 6.101 1.461 -6.923 1.00 0.00 N ATOM 136 CA ILE A 11 7.463 1.913 -7.163 1.00 0.00 C ATOM 137 C ILE A 11 7.345 3.144 -8.059 1.00 0.00 C ATOM 138 O ILE A 11 6.530 3.177 -8.977 1.00 0.00 O ATOM 139 CB ILE A 11 8.314 0.832 -7.843 1.00 0.00 C ATOM 140 CG1 ILE A 11 8.389 -0.427 -6.964 1.00 0.00 C ATOM 141 CG2 ILE A 11 9.731 1.351 -8.146 1.00 0.00 C ATOM 142 CD1 ILE A 11 9.249 -1.547 -7.559 1.00 0.00 C ATOM 0 H ILE A 11 5.939 0.480 -7.149 1.00 0.00 H new ATOM 0 HA ILE A 11 7.963 2.141 -6.221 1.00 0.00 H new ATOM 0 HB ILE A 11 7.835 0.575 -8.788 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.790 -0.154 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.380 -0.805 -6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.311 0.564 -8.628 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.668 2.213 -8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.218 1.644 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.253 -2.401 -6.882 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.837 -1.849 -8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.269 -1.188 -7.697 1.00 0.00 H new ATOM 154 N GLY A 12 8.144 4.164 -7.768 1.00 0.00 N ATOM 155 CA GLY A 12 8.048 5.445 -8.436 1.00 0.00 C ATOM 156 C GLY A 12 7.597 6.457 -7.395 1.00 0.00 C ATOM 157 O GLY A 12 8.150 7.553 -7.358 1.00 0.00 O ATOM 0 H GLY A 12 8.877 4.120 -7.060 1.00 0.00 H new ATOM 0 HA2 GLY A 12 9.010 5.731 -8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.337 5.397 -9.261 1.00 0.00 H new ATOM 161 N CYS A 13 6.643 6.090 -6.522 1.00 0.00 N ATOM 162 CA CYS A 13 6.238 6.994 -5.445 1.00 0.00 C ATOM 163 C CYS A 13 6.880 6.550 -4.133 1.00 0.00 C ATOM 164 O CYS A 13 7.334 7.374 -3.343 1.00 0.00 O ATOM 165 CB CYS A 13 4.719 7.084 -5.322 1.00 0.00 C ATOM 166 SG CYS A 13 4.255 8.439 -4.216 1.00 0.00 S ATOM 0 H CYS A 13 6.152 5.196 -6.542 1.00 0.00 H new ATOM 0 HA CYS A 13 6.590 7.997 -5.686 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.277 7.241 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.322 6.143 -4.941 1.00 0.00 H new ATOM 0 HG CYS A 13 2.960 8.501 -4.126 1.00 0.00 H new ATOM 171 N HIS A 14 6.965 5.231 -3.944 1.00 0.00 N ATOM 172 CA HIS A 14 7.469 4.584 -2.739 1.00 0.00 C ATOM 173 C HIS A 14 8.925 4.117 -2.807 1.00 0.00 C ATOM 174 O HIS A 14 9.480 3.674 -1.799 1.00 0.00 O ATOM 175 CB HIS A 14 6.554 3.384 -2.511 1.00 0.00 C ATOM 176 CG HIS A 14 5.270 3.790 -1.863 1.00 0.00 C ATOM 177 ND1 HIS A 14 5.212 4.173 -0.536 1.00 0.00 N ATOM 178 CD2 HIS A 14 4.009 3.988 -2.360 1.00 0.00 C ATOM 179 CE1 HIS A 14 3.952 4.556 -0.296 1.00 0.00 C ATOM 180 NE2 HIS A 14 3.135 4.293 -1.313 1.00 0.00 N ATOM 0 H HIS A 14 6.672 4.562 -4.656 1.00 0.00 H new ATOM 0 HA HIS A 14 7.462 5.312 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.344 2.899 -3.464 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.063 2.651 -1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 14 3.732 3.919 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.633 5.027 0.622 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.115 4.310 -1.325 1.00 0.00 H new ATOM 188 N GLY A 15 9.566 4.214 -3.970 1.00 0.00 N ATOM 189 CA GLY A 15 10.902 3.660 -4.128 1.00 0.00 C ATOM 190 C GLY A 15 10.796 2.142 -4.280 1.00 0.00 C ATOM 191 O GLY A 15 9.708 1.576 -4.173 1.00 0.00 O ATOM 0 H GLY A 15 9.186 4.664 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.388 4.093 -5.002 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.518 3.910 -3.264 1.00 0.00 H new ATOM 195 N ALA A 16 11.908 1.450 -4.526 1.00 0.00 N ATOM 196 CA ALA A 16 11.896 0.000 -4.702 1.00 0.00 C ATOM 197 C ALA A 16 11.852 -0.720 -3.348 1.00 0.00 C ATOM 198 O ALA A 16 12.648 -1.625 -3.113 1.00 0.00 O ATOM 199 CB ALA A 16 13.114 -0.413 -5.536 1.00 0.00 C ATOM 0 H ALA A 16 12.832 1.874 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 16 10.994 -0.296 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 16 13.112 -1.495 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.071 0.075 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 16 14.026 -0.114 -5.020 1.00 0.00 H new ATOM 205 N ASP A 17 10.929 -0.325 -2.461 1.00 0.00 N ATOM 206 CA ASP A 17 10.799 -0.876 -1.112 1.00 0.00 C ATOM 207 C ASP A 17 9.626 -0.265 -0.336 1.00 0.00 C ATOM 208 O ASP A 17 8.781 -0.994 0.175 1.00 0.00 O ATOM 209 CB ASP A 17 12.106 -0.736 -0.300 1.00 0.00 C ATOM 210 CG ASP A 17 12.721 0.665 -0.244 1.00 0.00 C ATOM 211 OD1 ASP A 17 12.176 1.593 -0.884 1.00 0.00 O ATOM 212 OD2 ASP A 17 13.751 0.794 0.451 1.00 0.00 O ATOM 0 H ASP A 17 10.241 0.399 -2.668 1.00 0.00 H new ATOM 0 HA ASP A 17 10.591 -1.937 -1.246 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.912 -1.066 0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.845 -1.418 -0.720 1.00 0.00 H new ATOM 217 N GLY A 18 9.594 1.065 -0.233 1.00 0.00 N ATOM 218 CA GLY A 18 8.618 1.818 0.547 1.00 0.00 C ATOM 219 C GLY A 18 9.339 2.816 1.440 1.00 0.00 C ATOM 220 O GLY A 18 9.014 2.928 2.621 1.00 0.00 O ATOM 0 H GLY A 18 10.270 1.664 -0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.931 2.340 -0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.020 1.138 1.153 1.00 0.00 H new ATOM 224 N SER A 19 10.308 3.539 0.875 1.00 0.00 N ATOM 225 CA SER A 19 11.210 4.410 1.609 1.00 0.00 C ATOM 226 C SER A 19 10.878 5.893 1.476 1.00 0.00 C ATOM 227 O SER A 19 10.555 6.554 2.460 1.00 0.00 O ATOM 228 CB SER A 19 12.629 4.161 1.079 1.00 0.00 C ATOM 229 OG SER A 19 12.628 4.209 -0.341 1.00 0.00 O ATOM 0 H SER A 19 10.486 3.531 -0.129 1.00 0.00 H new ATOM 0 HA SER A 19 11.113 4.172 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.312 4.911 1.477 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.989 3.190 1.419 1.00 0.00 H new ATOM 0 HG SER A 19 12.489 3.307 -0.699 1.00 0.00 H new ATOM 235 N LYS A 20 11.046 6.414 0.260 1.00 0.00 N ATOM 236 CA LYS A 20 10.998 7.842 -0.001 1.00 0.00 C ATOM 237 C LYS A 20 9.661 8.517 0.316 1.00 0.00 C ATOM 238 O LYS A 20 8.632 7.874 0.522 1.00 0.00 O ATOM 239 CB LYS A 20 11.519 8.140 -1.414 1.00 0.00 C ATOM 240 CG LYS A 20 10.566 7.727 -2.538 1.00 0.00 C ATOM 241 CD LYS A 20 11.254 8.024 -3.878 1.00 0.00 C ATOM 242 CE LYS A 20 10.314 7.846 -5.071 1.00 0.00 C ATOM 243 NZ LYS A 20 9.209 8.819 -5.046 1.00 0.00 N ATOM 0 H LYS A 20 11.220 5.849 -0.572 1.00 0.00 H new ATOM 0 HA LYS A 20 11.672 8.310 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 20 11.718 9.208 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 20 12.470 7.627 -1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.323 6.667 -2.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.627 8.275 -2.462 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.635 9.045 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 20 12.114 7.364 -3.995 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.877 7.959 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.908 6.834 -5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.725 8.818 -5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.534 8.558 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.587 9.769 -4.855 1.00 0.00 H new ATOM 257 N ALA A 21 9.716 9.852 0.341 1.00 0.00 N ATOM 258 CA ALA A 21 8.632 10.764 0.672 1.00 0.00 C ATOM 259 C ALA A 21 7.465 10.687 -0.318 1.00 0.00 C ATOM 260 O ALA A 21 7.270 11.593 -1.126 1.00 0.00 O ATOM 261 CB ALA A 21 9.218 12.181 0.742 1.00 0.00 C ATOM 0 H ALA A 21 10.577 10.350 0.115 1.00 0.00 H new ATOM 0 HA ALA A 21 8.207 10.478 1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.428 12.890 0.989 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.991 12.218 1.510 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.652 12.443 -0.223 1.00 0.00 H new ATOM 267 N ALA A 22 6.694 9.599 -0.263 1.00 0.00 N ATOM 268 CA ALA A 22 5.506 9.418 -1.084 1.00 0.00 C ATOM 269 C ALA A 22 4.574 10.611 -0.829 1.00 0.00 C ATOM 270 O ALA A 22 4.145 10.811 0.304 1.00 0.00 O ATOM 271 CB ALA A 22 4.863 8.069 -0.747 1.00 0.00 C ATOM 0 H ALA A 22 6.883 8.814 0.360 1.00 0.00 H new ATOM 0 HA ALA A 22 5.742 9.395 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.972 7.928 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.573 7.267 -0.949 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.586 8.051 0.307 1.00 0.00 H new ATOM 277 N MET A 23 4.287 11.410 -1.866 1.00 0.00 N ATOM 278 CA MET A 23 3.619 12.716 -1.801 1.00 0.00 C ATOM 279 C MET A 23 4.473 13.731 -1.024 1.00 0.00 C ATOM 280 O MET A 23 4.898 14.741 -1.580 1.00 0.00 O ATOM 281 CB MET A 23 2.195 12.671 -1.224 1.00 0.00 C ATOM 282 CG MET A 23 1.254 11.723 -1.970 1.00 0.00 C ATOM 283 SD MET A 23 0.988 12.079 -3.723 1.00 0.00 S ATOM 284 CE MET A 23 -0.453 11.032 -4.020 1.00 0.00 C ATOM 0 H MET A 23 4.527 11.149 -2.822 1.00 0.00 H new ATOM 0 HA MET A 23 3.515 13.036 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.247 12.368 -0.178 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.773 13.676 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.647 10.710 -1.882 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.287 11.734 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.761 11.124 -5.061 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.198 9.994 -3.808 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.270 11.345 -3.371 1.00 0.00 H new ATOM 294 N GLY A 24 4.690 13.477 0.267 1.00 0.00 N ATOM 295 CA GLY A 24 5.469 14.303 1.170 1.00 0.00 C ATOM 296 C GLY A 24 5.884 13.449 2.365 1.00 0.00 C ATOM 297 O GLY A 24 6.307 12.308 2.186 1.00 0.00 O ATOM 0 H GLY A 24 4.307 12.650 0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.349 14.696 0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.883 15.160 1.501 1.00 0.00 H new ATOM 301 N SER A 25 5.731 13.969 3.586 1.00 0.00 N ATOM 302 CA SER A 25 6.109 13.311 4.833 1.00 0.00 C ATOM 303 C SER A 25 5.194 12.136 5.217 1.00 0.00 C ATOM 304 O SER A 25 4.675 12.090 6.331 1.00 0.00 O ATOM 305 CB SER A 25 6.105 14.382 5.928 1.00 0.00 C ATOM 306 OG SER A 25 6.713 15.565 5.439 1.00 0.00 O ATOM 0 H SER A 25 5.326 14.893 3.735 1.00 0.00 H new ATOM 0 HA SER A 25 7.096 12.866 4.706 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.083 14.590 6.243 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.642 14.021 6.805 1.00 0.00 H new ATOM 0 HG SER A 25 6.708 16.249 6.140 1.00 0.00 H new ATOM 312 N ALA A 26 4.996 11.188 4.305 1.00 0.00 N ATOM 313 CA ALA A 26 4.195 9.995 4.521 1.00 0.00 C ATOM 314 C ALA A 26 5.000 8.974 5.327 1.00 0.00 C ATOM 315 O ALA A 26 6.224 8.923 5.206 1.00 0.00 O ATOM 316 CB ALA A 26 3.818 9.417 3.156 1.00 0.00 C ATOM 0 H ALA A 26 5.401 11.233 3.370 1.00 0.00 H new ATOM 0 HA ALA A 26 3.292 10.239 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.215 8.519 3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.246 10.155 2.594 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.724 9.164 2.605 1.00 0.00 H new ATOM 322 N LYS A 27 4.330 8.157 6.146 1.00 0.00 N ATOM 323 CA LYS A 27 4.993 7.099 6.898 1.00 0.00 C ATOM 324 C LYS A 27 5.666 6.156 5.901 1.00 0.00 C ATOM 325 O LYS A 27 4.973 5.646 5.019 1.00 0.00 O ATOM 326 CB LYS A 27 3.983 6.263 7.701 1.00 0.00 C ATOM 327 CG LYS A 27 3.212 7.055 8.765 1.00 0.00 C ATOM 328 CD LYS A 27 1.883 6.367 9.110 1.00 0.00 C ATOM 329 CE LYS A 27 2.075 4.978 9.733 1.00 0.00 C ATOM 330 NZ LYS A 27 0.791 4.264 9.840 1.00 0.00 N ATOM 0 H LYS A 27 3.324 8.213 6.302 1.00 0.00 H new ATOM 0 HA LYS A 27 5.705 7.560 7.583 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.269 5.815 7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.513 5.444 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.820 7.150 9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.019 8.065 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.323 6.996 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.282 6.274 8.205 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.769 4.396 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.523 5.078 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.949 3.328 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.139 4.810 10.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.377 4.149 8.893 1.00 0.00 H new ATOM 344 N PRO A 28 6.982 5.904 5.995 1.00 0.00 N ATOM 345 CA PRO A 28 7.609 4.926 5.132 1.00 0.00 C ATOM 346 C PRO A 28 6.888 3.592 5.294 1.00 0.00 C ATOM 347 O PRO A 28 6.442 3.246 6.387 1.00 0.00 O ATOM 348 CB PRO A 28 9.075 4.853 5.564 1.00 0.00 C ATOM 349 CG PRO A 28 9.315 6.235 6.174 1.00 0.00 C ATOM 350 CD PRO A 28 7.971 6.562 6.830 1.00 0.00 C ATOM 0 HA PRO A 28 7.553 5.190 4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.245 4.056 6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.737 4.663 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 28 10.126 6.219 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.583 6.970 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 28 7.931 6.194 7.855 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.802 7.638 6.871 1.00 0.00 H new ATOM 358 N VAL A 29 6.741 2.871 4.191 1.00 0.00 N ATOM 359 CA VAL A 29 5.970 1.643 4.109 1.00 0.00 C ATOM 360 C VAL A 29 6.871 0.434 4.349 1.00 0.00 C ATOM 361 O VAL A 29 6.440 -0.572 4.912 1.00 0.00 O ATOM 362 CB VAL A 29 5.302 1.611 2.731 1.00 0.00 C ATOM 363 CG1 VAL A 29 4.208 0.554 2.657 1.00 0.00 C ATOM 364 CG2 VAL A 29 4.629 2.951 2.436 1.00 0.00 C ATOM 0 H VAL A 29 7.169 3.134 3.303 1.00 0.00 H new ATOM 0 HA VAL A 29 5.200 1.606 4.880 1.00 0.00 H new ATOM 0 HB VAL A 29 6.091 1.389 2.013 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.759 0.564 1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.638 -0.429 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.443 0.769 3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.159 2.913 1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.872 3.152 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.376 3.744 2.450 1.00 0.00 H new ATOM 374 N LYS A 30 8.126 0.552 3.909 1.00 0.00 N ATOM 375 CA LYS A 30 9.182 -0.428 4.062 1.00 0.00 C ATOM 376 C LYS A 30 9.202 -0.925 5.516 1.00 0.00 C ATOM 377 O LYS A 30 9.674 -0.219 6.406 1.00 0.00 O ATOM 378 CB LYS A 30 10.493 0.272 3.684 1.00 0.00 C ATOM 379 CG LYS A 30 11.746 -0.595 3.855 1.00 0.00 C ATOM 380 CD LYS A 30 12.992 0.293 3.751 1.00 0.00 C ATOM 381 CE LYS A 30 14.275 -0.530 3.592 1.00 0.00 C ATOM 382 NZ LYS A 30 14.435 -1.519 4.671 1.00 0.00 N ATOM 0 H LYS A 30 8.441 1.384 3.410 1.00 0.00 H new ATOM 0 HA LYS A 30 9.032 -1.298 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.430 0.598 2.646 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.601 1.169 4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.724 -1.100 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.773 -1.371 3.090 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.886 0.967 2.901 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.069 0.915 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.260 -1.043 2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.136 0.139 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.429 -1.822 4.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.158 -1.091 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.831 -2.344 4.479 1.00 0.00 H new ATOM 396 N GLY A 31 8.648 -2.109 5.765 1.00 0.00 N ATOM 397 CA GLY A 31 8.668 -2.742 7.068 1.00 0.00 C ATOM 398 C GLY A 31 7.884 -2.050 8.188 1.00 0.00 C ATOM 399 O GLY A 31 8.359 -2.081 9.320 1.00 0.00 O ATOM 0 H GLY A 31 8.167 -2.658 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.281 -3.755 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.707 -2.831 7.386 1.00 0.00 H new ATOM 403 N GLN A 32 6.694 -1.463 7.948 1.00 0.00 N ATOM 404 CA GLN A 32 5.902 -0.967 9.095 1.00 0.00 C ATOM 405 C GLN A 32 5.579 -2.167 9.988 1.00 0.00 C ATOM 406 O GLN A 32 5.883 -2.231 11.175 1.00 0.00 O ATOM 407 CB GLN A 32 4.591 -0.252 8.707 1.00 0.00 C ATOM 408 CG GLN A 32 4.745 0.708 7.535 1.00 0.00 C ATOM 409 CD GLN A 32 3.516 1.585 7.307 1.00 0.00 C ATOM 410 OE1 GLN A 32 2.391 1.145 7.523 1.00 0.00 O ATOM 411 NE2 GLN A 32 3.723 2.818 6.850 1.00 0.00 N ATOM 0 H GLN A 32 6.277 -1.325 7.027 1.00 0.00 H new ATOM 0 HA GLN A 32 6.505 -0.214 9.603 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.839 -1.000 8.457 1.00 0.00 H new ATOM 0 HB3 GLN A 32 4.218 0.299 9.570 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.611 1.346 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.947 0.136 6.630 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.674 3.147 6.683 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.931 3.434 6.667 1.00 0.00 H new ATOM 420 N GLY A 33 4.941 -3.117 9.321 1.00 0.00 N ATOM 421 CA GLY A 33 4.551 -4.438 9.788 1.00 0.00 C ATOM 422 C GLY A 33 3.330 -4.899 9.019 1.00 0.00 C ATOM 423 O GLY A 33 2.436 -4.107 8.753 1.00 0.00 O ATOM 0 H GLY A 33 4.658 -2.969 8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.371 -5.143 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.334 -4.410 10.856 1.00 0.00 H new ATOM 427 N ALA A 34 3.292 -6.178 8.663 1.00 0.00 N ATOM 428 CA ALA A 34 2.226 -6.811 7.908 1.00 0.00 C ATOM 429 C ALA A 34 0.834 -6.378 8.358 1.00 0.00 C ATOM 430 O ALA A 34 0.035 -5.962 7.528 1.00 0.00 O ATOM 431 CB ALA A 34 2.397 -8.320 8.026 1.00 0.00 C ATOM 0 H ALA A 34 4.039 -6.828 8.906 1.00 0.00 H new ATOM 0 HA ALA A 34 2.303 -6.495 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.607 -8.821 7.466 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.367 -8.609 7.622 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.340 -8.612 9.075 1.00 0.00 H new ATOM 437 N GLU A 35 0.535 -6.464 9.656 1.00 0.00 N ATOM 438 CA GLU A 35 -0.778 -6.078 10.154 1.00 0.00 C ATOM 439 C GLU A 35 -1.031 -4.590 9.896 1.00 0.00 C ATOM 440 O GLU A 35 -2.084 -4.226 9.374 1.00 0.00 O ATOM 441 CB GLU A 35 -0.918 -6.441 11.638 1.00 0.00 C ATOM 442 CG GLU A 35 -2.366 -6.226 12.108 1.00 0.00 C ATOM 443 CD GLU A 35 -2.609 -6.716 13.532 1.00 0.00 C ATOM 444 OE1 GLU A 35 -1.630 -6.742 14.310 1.00 0.00 O ATOM 445 OE2 GLU A 35 -3.780 -7.051 13.816 1.00 0.00 O ATOM 0 H GLU A 35 1.181 -6.795 10.372 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.543 -6.635 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.629 -7.480 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.241 -5.829 12.234 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.608 -5.165 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.043 -6.746 11.430 1.00 0.00 H new ATOM 452 N GLU A 36 -0.064 -3.739 10.258 1.00 0.00 N ATOM 453 CA GLU A 36 -0.130 -2.303 10.089 1.00 0.00 C ATOM 454 C GLU A 36 -0.457 -1.985 8.635 1.00 0.00 C ATOM 455 O GLU A 36 -1.408 -1.267 8.339 1.00 0.00 O ATOM 456 CB GLU A 36 1.255 -1.770 10.488 1.00 0.00 C ATOM 457 CG GLU A 36 1.315 -0.287 10.820 1.00 0.00 C ATOM 458 CD GLU A 36 0.499 0.125 12.043 1.00 0.00 C ATOM 459 OE1 GLU A 36 0.237 -0.756 12.890 1.00 0.00 O ATOM 460 OE2 GLU A 36 0.154 1.325 12.107 1.00 0.00 O ATOM 0 H GLU A 36 0.807 -4.051 10.688 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.905 -1.841 10.700 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.606 -2.333 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.951 -1.971 9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.356 -0.007 10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.963 0.279 9.958 1.00 0.00 H new ATOM 467 N LEU A 37 0.344 -2.563 7.743 1.00 0.00 N ATOM 468 CA LEU A 37 0.219 -2.413 6.315 1.00 0.00 C ATOM 469 C LEU A 37 -1.173 -2.877 5.894 1.00 0.00 C ATOM 470 O LEU A 37 -1.964 -2.057 5.432 1.00 0.00 O ATOM 471 CB LEU A 37 1.356 -3.202 5.648 1.00 0.00 C ATOM 472 CG LEU A 37 2.720 -2.517 5.827 1.00 0.00 C ATOM 473 CD1 LEU A 37 3.856 -3.509 5.568 1.00 0.00 C ATOM 474 CD2 LEU A 37 2.862 -1.353 4.852 1.00 0.00 C ATOM 0 H LEU A 37 1.120 -3.166 8.014 1.00 0.00 H new ATOM 0 HA LEU A 37 0.315 -1.374 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.397 -4.206 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.144 -3.313 4.585 1.00 0.00 H new ATOM 0 HG LEU A 37 2.778 -2.151 6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.815 -3.007 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.782 -4.339 6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.782 -3.889 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.833 -0.878 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.782 -1.723 3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.072 -0.625 5.037 1.00 0.00 H new ATOM 486 N TYR A 38 -1.469 -4.174 6.049 1.00 0.00 N ATOM 487 CA TYR A 38 -2.740 -4.803 5.709 1.00 0.00 C ATOM 488 C TYR A 38 -3.895 -3.888 6.023 1.00 0.00 C ATOM 489 O TYR A 38 -4.691 -3.566 5.154 1.00 0.00 O ATOM 490 CB TYR A 38 -2.963 -6.086 6.511 1.00 0.00 C ATOM 491 CG TYR A 38 -4.277 -6.779 6.175 1.00 0.00 C ATOM 492 CD1 TYR A 38 -4.602 -7.073 4.834 1.00 0.00 C ATOM 493 CD2 TYR A 38 -5.273 -6.883 7.164 1.00 0.00 C ATOM 494 CE1 TYR A 38 -5.912 -7.449 4.486 1.00 0.00 C ATOM 495 CE2 TYR A 38 -6.577 -7.276 6.817 1.00 0.00 C ATOM 496 CZ TYR A 38 -6.901 -7.549 5.479 1.00 0.00 C ATOM 497 OH TYR A 38 -8.176 -7.915 5.164 1.00 0.00 O ATOM 0 H TYR A 38 -0.796 -4.838 6.432 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.695 -5.024 4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.138 -6.773 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.945 -5.850 7.575 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.841 -7.009 4.070 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.034 -6.660 8.193 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.158 -7.661 3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.333 -7.368 7.583 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.216 -8.182 4.222 1.00 0.00 H new ATOM 507 N LYS A 39 -3.974 -3.510 7.290 1.00 0.00 N ATOM 508 CA LYS A 39 -5.026 -2.629 7.768 1.00 0.00 C ATOM 509 C LYS A 39 -5.186 -1.384 6.893 1.00 0.00 C ATOM 510 O LYS A 39 -6.310 -1.018 6.572 1.00 0.00 O ATOM 511 CB LYS A 39 -4.783 -2.249 9.233 1.00 0.00 C ATOM 512 CG LYS A 39 -5.036 -3.405 10.213 1.00 0.00 C ATOM 513 CD LYS A 39 -6.528 -3.743 10.359 1.00 0.00 C ATOM 514 CE LYS A 39 -6.768 -4.720 11.517 1.00 0.00 C ATOM 515 NZ LYS A 39 -6.062 -5.999 11.321 1.00 0.00 N ATOM 0 H LYS A 39 -3.315 -3.804 8.011 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.965 -3.179 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.755 -1.905 9.346 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.430 -1.412 9.496 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.499 -4.290 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.630 -3.143 11.190 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.095 -2.828 10.529 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.897 -4.179 9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.437 -4.263 12.450 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.837 -4.908 11.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.346 -6.669 12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.306 -6.391 10.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.035 -5.840 11.372 1.00 0.00 H new ATOM 529 N LYS A 40 -4.101 -0.718 6.500 1.00 0.00 N ATOM 530 CA LYS A 40 -4.158 0.465 5.674 1.00 0.00 C ATOM 531 C LYS A 40 -4.454 0.134 4.207 1.00 0.00 C ATOM 532 O LYS A 40 -5.295 0.815 3.624 1.00 0.00 O ATOM 533 CB LYS A 40 -2.830 1.189 5.822 1.00 0.00 C ATOM 534 CG LYS A 40 -2.426 1.621 7.245 1.00 0.00 C ATOM 535 CD LYS A 40 -3.533 1.662 8.313 1.00 0.00 C ATOM 536 CE LYS A 40 -2.982 2.187 9.642 1.00 0.00 C ATOM 537 NZ LYS A 40 -1.998 1.250 10.211 1.00 0.00 N ATOM 0 H LYS A 40 -3.153 -0.996 6.754 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.979 1.102 6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.046 0.543 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.856 2.078 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.646 0.944 7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.981 2.614 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.349 2.300 7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.947 0.663 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.516 3.160 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.800 2.333 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.308 0.954 11.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.918 0.415 9.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.072 1.719 10.280 1.00 0.00 H new ATOM 551 N MET A 41 -3.806 -0.864 3.580 1.00 0.00 N ATOM 552 CA MET A 41 -4.182 -1.192 2.197 1.00 0.00 C ATOM 553 C MET A 41 -5.655 -1.632 2.154 1.00 0.00 C ATOM 554 O MET A 41 -6.378 -1.271 1.227 1.00 0.00 O ATOM 555 CB MET A 41 -3.214 -2.144 1.445 1.00 0.00 C ATOM 556 CG MET A 41 -2.501 -3.276 2.207 1.00 0.00 C ATOM 557 SD MET A 41 -0.868 -2.812 2.811 1.00 0.00 S ATOM 558 CE MET A 41 0.111 -2.844 1.304 1.00 0.00 C ATOM 0 H MET A 41 -3.059 -1.430 3.983 1.00 0.00 H new ATOM 0 HA MET A 41 -4.076 -0.275 1.617 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.778 -2.604 0.633 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.442 -1.526 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 41 -3.119 -3.582 3.051 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.406 -4.142 1.552 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.793 -1.994 1.295 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.685 -3.770 1.262 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.550 -2.788 0.439 1.00 0.00 H new ATOM 568 N LYS A 42 -6.126 -2.354 3.176 1.00 0.00 N ATOM 569 CA LYS A 42 -7.521 -2.743 3.315 1.00 0.00 C ATOM 570 C LYS A 42 -8.343 -1.471 3.553 1.00 0.00 C ATOM 571 O LYS A 42 -9.395 -1.293 2.954 1.00 0.00 O ATOM 572 CB LYS A 42 -7.647 -3.772 4.450 1.00 0.00 C ATOM 573 CG LYS A 42 -9.059 -4.331 4.666 1.00 0.00 C ATOM 574 CD LYS A 42 -9.633 -4.993 3.407 1.00 0.00 C ATOM 575 CE LYS A 42 -10.915 -5.760 3.749 1.00 0.00 C ATOM 576 NZ LYS A 42 -11.570 -6.277 2.535 1.00 0.00 N ATOM 0 H LYS A 42 -5.535 -2.686 3.938 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.905 -3.225 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.972 -4.602 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.310 -3.310 5.378 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.037 -5.059 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.721 -3.524 4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.845 -4.235 2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.897 -5.673 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.679 -6.588 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.602 -5.104 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.599 -6.308 2.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.353 -5.653 1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.220 -7.236 2.333 1.00 0.00 H new ATOM 590 N GLY A 43 -7.832 -0.578 4.403 1.00 0.00 N ATOM 591 CA GLY A 43 -8.346 0.745 4.713 1.00 0.00 C ATOM 592 C GLY A 43 -8.757 1.474 3.442 1.00 0.00 C ATOM 593 O GLY A 43 -9.910 1.865 3.247 1.00 0.00 O ATOM 0 H GLY A 43 -6.983 -0.783 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.202 0.660 5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.586 1.322 5.239 1.00 0.00 H new ATOM 597 N TYR A 44 -7.753 1.665 2.587 1.00 0.00 N ATOM 598 CA TYR A 44 -7.864 2.337 1.312 1.00 0.00 C ATOM 599 C TYR A 44 -8.790 1.535 0.392 1.00 0.00 C ATOM 600 O TYR A 44 -9.717 2.103 -0.176 1.00 0.00 O ATOM 601 CB TYR A 44 -6.455 2.536 0.726 1.00 0.00 C ATOM 602 CG TYR A 44 -5.542 3.549 1.400 1.00 0.00 C ATOM 603 CD1 TYR A 44 -6.016 4.819 1.777 1.00 0.00 C ATOM 604 CD2 TYR A 44 -4.154 3.306 1.444 1.00 0.00 C ATOM 605 CE1 TYR A 44 -5.149 5.735 2.398 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.301 4.208 2.100 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.829 5.363 2.687 1.00 0.00 C ATOM 608 OH TYR A 44 -3.037 6.144 3.473 1.00 0.00 O ATOM 0 H TYR A 44 -6.806 1.339 2.780 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.310 3.325 1.426 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.949 1.571 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.565 2.827 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.045 5.090 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.746 2.424 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.500 6.724 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.240 4.011 2.151 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.222 5.953 4.416 1.00 0.00 H new ATOM 618 N ALA A 45 -8.597 0.218 0.263 1.00 0.00 N ATOM 619 CA ALA A 45 -9.454 -0.614 -0.581 1.00 0.00 C ATOM 620 C ALA A 45 -10.929 -0.506 -0.177 1.00 0.00 C ATOM 621 O ALA A 45 -11.813 -0.498 -1.031 1.00 0.00 O ATOM 622 CB ALA A 45 -8.980 -2.068 -0.545 1.00 0.00 C ATOM 0 H ALA A 45 -7.852 -0.294 0.735 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.376 -0.246 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.626 -2.677 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.955 -2.126 -0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.021 -2.439 0.479 1.00 0.00 H new ATOM 628 N ASP A 46 -11.204 -0.395 1.124 1.00 0.00 N ATOM 629 CA ASP A 46 -12.559 -0.264 1.645 1.00 0.00 C ATOM 630 C ASP A 46 -13.060 1.178 1.530 1.00 0.00 C ATOM 631 O ASP A 46 -14.187 1.460 1.930 1.00 0.00 O ATOM 632 CB ASP A 46 -12.600 -0.702 3.117 1.00 0.00 C ATOM 633 CG ASP A 46 -12.292 -2.180 3.344 1.00 0.00 C ATOM 634 OD1 ASP A 46 -12.320 -2.952 2.360 1.00 0.00 O ATOM 635 OD2 ASP A 46 -12.049 -2.518 4.523 1.00 0.00 O ATOM 0 H ASP A 46 -10.485 -0.394 1.848 1.00 0.00 H new ATOM 0 HA ASP A 46 -13.210 -0.905 1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.885 -0.104 3.682 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -13.588 -0.483 3.521 1.00 0.00 H new ATOM 640 N GLY A 47 -12.236 2.100 1.022 1.00 0.00 N ATOM 641 CA GLY A 47 -12.569 3.509 0.928 1.00 0.00 C ATOM 642 C GLY A 47 -12.908 4.054 2.313 1.00 0.00 C ATOM 643 O GLY A 47 -13.845 4.839 2.453 1.00 0.00 O ATOM 0 H GLY A 47 -11.308 1.877 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.731 4.063 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.415 3.648 0.255 1.00 0.00 H new ATOM 647 N SER A 48 -12.139 3.637 3.327 1.00 0.00 N ATOM 648 CA SER A 48 -12.356 4.004 4.718 1.00 0.00 C ATOM 649 C SER A 48 -11.030 4.305 5.425 1.00 0.00 C ATOM 650 O SER A 48 -10.904 4.057 6.624 1.00 0.00 O ATOM 651 CB SER A 48 -13.138 2.875 5.405 1.00 0.00 C ATOM 652 OG SER A 48 -13.464 3.227 6.735 1.00 0.00 O ATOM 0 H SER A 48 -11.335 3.024 3.193 1.00 0.00 H new ATOM 0 HA SER A 48 -12.942 4.922 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 48 -14.050 2.665 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.544 1.961 5.401 1.00 0.00 H new ATOM 0 HG SER A 48 -12.676 3.610 7.174 1.00 0.00 H new ATOM 658 N TYR A 49 -10.041 4.832 4.701 1.00 0.00 N ATOM 659 CA TYR A 49 -8.756 5.229 5.249 1.00 0.00 C ATOM 660 C TYR A 49 -8.191 6.340 4.363 1.00 0.00 C ATOM 661 O TYR A 49 -8.527 6.396 3.184 1.00 0.00 O ATOM 662 CB TYR A 49 -7.843 4.003 5.383 1.00 0.00 C ATOM 663 CG TYR A 49 -6.569 4.256 6.142 1.00 0.00 C ATOM 664 CD1 TYR A 49 -6.621 4.594 7.503 1.00 0.00 C ATOM 665 CD2 TYR A 49 -5.331 4.146 5.490 1.00 0.00 C ATOM 666 CE1 TYR A 49 -5.440 4.922 8.181 1.00 0.00 C ATOM 667 CE2 TYR A 49 -4.155 4.519 6.156 1.00 0.00 C ATOM 668 CZ TYR A 49 -4.214 4.958 7.491 1.00 0.00 C ATOM 669 OH TYR A 49 -3.085 5.338 8.151 1.00 0.00 O ATOM 0 H TYR A 49 -10.119 4.995 3.697 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.848 5.630 6.258 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.396 3.206 5.881 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.592 3.642 4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.567 4.601 8.025 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.284 3.775 4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -5.470 5.148 9.237 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -3.205 4.469 5.645 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.322 5.310 7.537 1.00 0.00 H new ATOM 679 N GLY A 50 -7.381 7.239 4.933 1.00 0.00 N ATOM 680 CA GLY A 50 -6.847 8.409 4.242 1.00 0.00 C ATOM 681 C GLY A 50 -7.793 9.590 4.436 1.00 0.00 C ATOM 682 O GLY A 50 -8.968 9.491 4.092 1.00 0.00 O ATOM 0 H GLY A 50 -7.075 7.169 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.858 8.654 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.729 8.195 3.180 1.00 0.00 H new ATOM 686 N GLY A 51 -7.293 10.708 4.975 1.00 0.00 N ATOM 687 CA GLY A 51 -8.091 11.908 5.221 1.00 0.00 C ATOM 688 C GLY A 51 -8.879 12.318 3.976 1.00 0.00 C ATOM 689 O GLY A 51 -10.080 12.559 4.041 1.00 0.00 O ATOM 0 H GLY A 51 -6.316 10.803 5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.780 11.726 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.437 12.725 5.526 1.00 0.00 H new ATOM 693 N GLU A 52 -8.181 12.376 2.841 1.00 0.00 N ATOM 694 CA GLU A 52 -8.733 12.655 1.522 1.00 0.00 C ATOM 695 C GLU A 52 -8.675 11.371 0.681 1.00 0.00 C ATOM 696 O GLU A 52 -8.434 11.411 -0.524 1.00 0.00 O ATOM 697 CB GLU A 52 -7.994 13.848 0.881 1.00 0.00 C ATOM 698 CG GLU A 52 -6.482 13.916 1.162 1.00 0.00 C ATOM 699 CD GLU A 52 -5.763 12.597 0.907 1.00 0.00 C ATOM 700 OE1 GLU A 52 -5.368 12.365 -0.255 1.00 0.00 O ATOM 701 OE2 GLU A 52 -5.635 11.834 1.892 1.00 0.00 O ATOM 0 H GLU A 52 -7.173 12.223 2.819 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.780 12.952 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.145 13.810 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.454 14.771 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.038 14.691 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.325 14.213 2.199 1.00 0.00 H new ATOM 708 N ARG A 53 -8.836 10.214 1.333 1.00 0.00 N ATOM 709 CA ARG A 53 -8.902 8.864 0.828 1.00 0.00 C ATOM 710 C ARG A 53 -7.648 8.284 0.172 1.00 0.00 C ATOM 711 O ARG A 53 -7.444 7.074 0.149 1.00 0.00 O ATOM 712 CB ARG A 53 -10.116 8.802 -0.072 1.00 0.00 C ATOM 713 CG ARG A 53 -10.675 7.389 -0.078 1.00 0.00 C ATOM 714 CD ARG A 53 -11.741 7.235 1.022 1.00 0.00 C ATOM 715 NE ARG A 53 -11.177 7.141 2.376 1.00 0.00 N ATOM 716 CZ ARG A 53 -11.865 7.443 3.485 1.00 0.00 C ATOM 717 NH1 ARG A 53 -13.189 7.275 3.524 1.00 0.00 N ATOM 718 NH2 ARG A 53 -11.219 7.918 4.551 1.00 0.00 N ATOM 0 H ARG A 53 -8.933 10.218 2.348 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.983 8.204 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.875 9.503 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.846 9.101 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.112 7.167 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.871 6.671 0.082 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.422 8.085 0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.333 6.342 0.821 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.211 6.829 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.682 6.915 2.707 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.708 7.507 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.208 8.049 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.736 8.150 5.399 1.00 0.00 H new ATOM 732 N LYS A 54 -6.825 9.162 -0.372 1.00 0.00 N ATOM 733 CA LYS A 54 -5.601 8.848 -1.099 1.00 0.00 C ATOM 734 C LYS A 54 -5.940 8.245 -2.467 1.00 0.00 C ATOM 735 O LYS A 54 -5.273 7.339 -2.954 1.00 0.00 O ATOM 736 CB LYS A 54 -4.594 8.129 -0.197 1.00 0.00 C ATOM 737 CG LYS A 54 -4.278 9.075 0.978 1.00 0.00 C ATOM 738 CD LYS A 54 -2.877 8.896 1.566 1.00 0.00 C ATOM 739 CE LYS A 54 -2.698 9.755 2.828 1.00 0.00 C ATOM 740 NZ LYS A 54 -2.856 11.194 2.552 1.00 0.00 N ATOM 0 H LYS A 54 -6.998 10.166 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.043 9.744 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.007 7.188 0.167 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.687 7.886 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.390 10.105 0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.014 8.916 1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.712 7.846 1.809 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.129 9.173 0.824 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.426 9.449 3.579 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.709 9.575 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.595 11.740 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.239 11.465 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.846 11.393 2.304 1.00 0.00 H new ATOM 754 N ALA A 55 -6.958 8.847 -3.101 1.00 0.00 N ATOM 755 CA ALA A 55 -7.605 8.500 -4.366 1.00 0.00 C ATOM 756 C ALA A 55 -6.847 7.551 -5.301 1.00 0.00 C ATOM 757 O ALA A 55 -7.308 6.440 -5.554 1.00 0.00 O ATOM 758 CB ALA A 55 -8.005 9.787 -5.094 1.00 0.00 C ATOM 0 H ALA A 55 -7.390 9.676 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.476 7.909 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.488 9.536 -6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.696 10.356 -4.473 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.116 10.386 -5.290 1.00 0.00 H new ATOM 764 N MET A 56 -5.720 7.991 -5.869 1.00 0.00 N ATOM 765 CA MET A 56 -4.959 7.165 -6.802 1.00 0.00 C ATOM 766 C MET A 56 -4.548 5.851 -6.135 1.00 0.00 C ATOM 767 O MET A 56 -4.753 4.766 -6.682 1.00 0.00 O ATOM 768 CB MET A 56 -3.737 7.935 -7.317 1.00 0.00 C ATOM 769 CG MET A 56 -4.151 9.141 -8.171 1.00 0.00 C ATOM 770 SD MET A 56 -2.810 9.948 -9.085 1.00 0.00 S ATOM 771 CE MET A 56 -1.771 10.507 -7.720 1.00 0.00 C ATOM 0 H MET A 56 -5.318 8.913 -5.698 1.00 0.00 H new ATOM 0 HA MET A 56 -5.589 6.923 -7.658 1.00 0.00 H new ATOM 0 HB2 MET A 56 -3.137 8.275 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.108 7.269 -7.907 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.909 8.816 -8.884 1.00 0.00 H new ATOM 0 HG3 MET A 56 -4.620 9.880 -7.522 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.936 11.087 -8.112 1.00 0.00 H new ATOM 0 HE2 MET A 56 -2.360 11.129 -7.046 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.389 9.643 -7.176 1.00 0.00 H new ATOM 781 N MET A 57 -3.988 5.956 -4.930 1.00 0.00 N ATOM 782 CA MET A 57 -3.596 4.803 -4.150 1.00 0.00 C ATOM 783 C MET A 57 -4.851 3.988 -3.825 1.00 0.00 C ATOM 784 O MET A 57 -4.813 2.765 -3.951 1.00 0.00 O ATOM 785 CB MET A 57 -2.800 5.259 -2.922 1.00 0.00 C ATOM 786 CG MET A 57 -2.353 4.069 -2.068 1.00 0.00 C ATOM 787 SD MET A 57 -1.184 4.484 -0.750 1.00 0.00 S ATOM 788 CE MET A 57 -1.863 6.004 -0.071 1.00 0.00 C ATOM 0 H MET A 57 -3.797 6.848 -4.475 1.00 0.00 H new ATOM 0 HA MET A 57 -2.927 4.145 -4.705 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.926 5.826 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.412 5.931 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.234 3.607 -1.622 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.897 3.323 -2.719 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.453 6.172 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.600 6.841 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 57 -2.948 5.921 -0.008 1.00 0.00 H new ATOM 798 N THR A 58 -5.962 4.646 -3.456 1.00 0.00 N ATOM 799 CA THR A 58 -7.232 3.975 -3.203 1.00 0.00 C ATOM 800 C THR A 58 -7.578 3.063 -4.381 1.00 0.00 C ATOM 801 O THR A 58 -7.773 1.863 -4.205 1.00 0.00 O ATOM 802 CB THR A 58 -8.356 4.997 -2.958 1.00 0.00 C ATOM 803 OG1 THR A 58 -7.862 6.153 -2.324 1.00 0.00 O ATOM 804 CG2 THR A 58 -9.484 4.427 -2.103 1.00 0.00 C ATOM 0 H THR A 58 -5.997 5.657 -3.327 1.00 0.00 H new ATOM 0 HA THR A 58 -7.133 3.369 -2.302 1.00 0.00 H new ATOM 0 HB THR A 58 -8.751 5.247 -3.942 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.886 6.029 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.252 5.187 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.919 3.562 -2.604 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.088 4.124 -1.134 1.00 0.00 H new ATOM 812 N ASN A 59 -7.624 3.625 -5.591 1.00 0.00 N ATOM 813 CA ASN A 59 -7.954 2.874 -6.793 1.00 0.00 C ATOM 814 C ASN A 59 -6.943 1.751 -7.017 1.00 0.00 C ATOM 815 O ASN A 59 -7.336 0.651 -7.404 1.00 0.00 O ATOM 816 CB ASN A 59 -8.002 3.807 -8.008 1.00 0.00 C ATOM 817 CG ASN A 59 -8.702 3.213 -9.237 1.00 0.00 C ATOM 818 OD1 ASN A 59 -9.122 3.964 -10.110 1.00 0.00 O ATOM 819 ND2 ASN A 59 -8.868 1.895 -9.354 1.00 0.00 N ATOM 0 H ASN A 59 -7.433 4.613 -5.760 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.939 2.426 -6.663 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.512 4.727 -7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.983 4.079 -8.282 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.345 1.511 -10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.518 1.270 -8.627 1.00 0.00 H new ATOM 826 N ALA A 60 -5.653 2.021 -6.799 1.00 0.00 N ATOM 827 CA ALA A 60 -4.625 1.011 -6.988 1.00 0.00 C ATOM 828 C ALA A 60 -4.919 -0.205 -6.111 1.00 0.00 C ATOM 829 O ALA A 60 -5.033 -1.321 -6.614 1.00 0.00 O ATOM 830 CB ALA A 60 -3.238 1.590 -6.707 1.00 0.00 C ATOM 0 H ALA A 60 -5.303 2.929 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.634 0.686 -8.028 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.484 0.817 -6.855 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.045 2.419 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.195 1.947 -5.678 1.00 0.00 H new ATOM 836 N VAL A 61 -5.077 0.002 -4.801 1.00 0.00 N ATOM 837 CA VAL A 61 -5.366 -1.117 -3.914 1.00 0.00 C ATOM 838 C VAL A 61 -6.758 -1.699 -4.179 1.00 0.00 C ATOM 839 O VAL A 61 -6.958 -2.891 -3.974 1.00 0.00 O ATOM 840 CB VAL A 61 -5.162 -0.754 -2.439 1.00 0.00 C ATOM 841 CG1 VAL A 61 -3.714 -0.335 -2.158 1.00 0.00 C ATOM 842 CG2 VAL A 61 -6.125 0.327 -1.961 1.00 0.00 C ATOM 0 H VAL A 61 -5.011 0.912 -4.344 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.643 -1.900 -4.140 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.380 -1.660 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.606 -0.085 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.043 -1.157 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.463 0.535 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.935 0.544 -0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.978 1.232 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.151 -0.021 -2.080 1.00 0.00 H new ATOM 852 N LYS A 62 -7.720 -0.895 -4.648 1.00 0.00 N ATOM 853 CA LYS A 62 -9.070 -1.370 -4.938 1.00 0.00 C ATOM 854 C LYS A 62 -9.045 -2.550 -5.912 1.00 0.00 C ATOM 855 O LYS A 62 -9.905 -3.425 -5.846 1.00 0.00 O ATOM 856 CB LYS A 62 -9.928 -0.220 -5.491 1.00 0.00 C ATOM 857 CG LYS A 62 -11.425 -0.542 -5.592 1.00 0.00 C ATOM 858 CD LYS A 62 -11.998 -0.875 -4.211 1.00 0.00 C ATOM 859 CE LYS A 62 -13.519 -0.726 -4.179 1.00 0.00 C ATOM 860 NZ LYS A 62 -14.044 -1.091 -2.851 1.00 0.00 N ATOM 0 H LYS A 62 -7.581 0.098 -4.835 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.516 -1.722 -4.008 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -9.798 0.654 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.559 0.050 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.958 0.308 -6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.577 -1.384 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.727 -1.896 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.552 -0.218 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.795 0.301 -4.416 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.969 -1.361 -4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.879 -0.509 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.312 -2.096 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.312 -0.926 -2.131 1.00 0.00 H new ATOM 874 N LYS A 63 -8.071 -2.576 -6.826 1.00 0.00 N ATOM 875 CA LYS A 63 -7.924 -3.646 -7.789 1.00 0.00 C ATOM 876 C LYS A 63 -7.475 -4.960 -7.125 1.00 0.00 C ATOM 877 O LYS A 63 -7.648 -6.028 -7.709 1.00 0.00 O ATOM 878 CB LYS A 63 -6.923 -3.184 -8.860 1.00 0.00 C ATOM 879 CG LYS A 63 -7.604 -2.842 -10.190 1.00 0.00 C ATOM 880 CD LYS A 63 -8.489 -1.595 -10.054 1.00 0.00 C ATOM 881 CE LYS A 63 -9.099 -1.194 -11.403 1.00 0.00 C ATOM 882 NZ LYS A 63 -9.968 -2.250 -11.951 1.00 0.00 N ATOM 0 H LYS A 63 -7.363 -1.846 -6.911 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.889 -3.860 -8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.384 -2.309 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.184 -3.968 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.848 -2.673 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.209 -3.687 -10.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.286 -1.788 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.898 -0.768 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.675 -0.277 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.300 -0.977 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.465 -1.890 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.389 -3.072 -12.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.664 -2.535 -11.232 1.00 0.00 H new ATOM 896 N ALA A 64 -6.875 -4.895 -5.932 1.00 0.00 N ATOM 897 CA ALA A 64 -6.348 -6.043 -5.214 1.00 0.00 C ATOM 898 C ALA A 64 -7.427 -6.701 -4.350 1.00 0.00 C ATOM 899 O ALA A 64 -8.117 -6.033 -3.583 1.00 0.00 O ATOM 900 CB ALA A 64 -5.169 -5.581 -4.351 1.00 0.00 C ATOM 0 H ALA A 64 -6.743 -4.016 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.011 -6.792 -5.931 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.762 -6.432 -3.805 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.395 -5.156 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.510 -4.826 -3.643 1.00 0.00 H new ATOM 906 N SER A 65 -7.565 -8.024 -4.463 1.00 0.00 N ATOM 907 CA SER A 65 -8.468 -8.818 -3.643 1.00 0.00 C ATOM 908 C SER A 65 -7.828 -9.011 -2.263 1.00 0.00 C ATOM 909 O SER A 65 -6.657 -8.690 -2.090 1.00 0.00 O ATOM 910 CB SER A 65 -8.677 -10.158 -4.355 1.00 0.00 C ATOM 911 OG SER A 65 -7.417 -10.696 -4.724 1.00 0.00 O ATOM 0 H SER A 65 -7.041 -8.578 -5.140 1.00 0.00 H new ATOM 0 HA SER A 65 -9.433 -8.331 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.204 -10.852 -3.700 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.299 -10.020 -5.239 1.00 0.00 H new ATOM 0 HG SER A 65 -7.548 -11.554 -5.178 1.00 0.00 H new ATOM 917 N ASP A 66 -8.544 -9.558 -1.273 1.00 0.00 N ATOM 918 CA ASP A 66 -7.960 -9.767 0.055 1.00 0.00 C ATOM 919 C ASP A 66 -6.652 -10.559 -0.009 1.00 0.00 C ATOM 920 O ASP A 66 -5.700 -10.210 0.683 1.00 0.00 O ATOM 921 CB ASP A 66 -8.968 -10.391 1.028 1.00 0.00 C ATOM 922 CG ASP A 66 -9.700 -9.298 1.800 1.00 0.00 C ATOM 923 OD1 ASP A 66 -9.088 -8.777 2.760 1.00 0.00 O ATOM 924 OD2 ASP A 66 -10.840 -8.979 1.401 1.00 0.00 O ATOM 0 H ASP A 66 -9.514 -9.860 -1.364 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.707 -8.783 0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.685 -11.001 0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.452 -11.054 1.723 1.00 0.00 H new ATOM 929 N GLU A 67 -6.603 -11.602 -0.846 1.00 0.00 N ATOM 930 CA GLU A 67 -5.399 -12.395 -1.073 1.00 0.00 C ATOM 931 C GLU A 67 -4.221 -11.467 -1.363 1.00 0.00 C ATOM 932 O GLU A 67 -3.193 -11.476 -0.685 1.00 0.00 O ATOM 933 CB GLU A 67 -5.649 -13.348 -2.260 1.00 0.00 C ATOM 934 CG GLU A 67 -4.402 -14.139 -2.695 1.00 0.00 C ATOM 935 CD GLU A 67 -4.654 -14.913 -3.988 1.00 0.00 C ATOM 936 OE1 GLU A 67 -5.505 -15.826 -3.946 1.00 0.00 O ATOM 937 OE2 GLU A 67 -4.005 -14.569 -5.004 1.00 0.00 O ATOM 0 H GLU A 67 -7.407 -11.918 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.161 -12.983 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.437 -14.050 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.015 -12.769 -3.108 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.566 -13.454 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.115 -14.832 -1.904 1.00 0.00 H new ATOM 944 N GLU A 68 -4.403 -10.665 -2.405 1.00 0.00 N ATOM 945 CA GLU A 68 -3.442 -9.738 -2.904 1.00 0.00 C ATOM 946 C GLU A 68 -3.097 -8.695 -1.846 1.00 0.00 C ATOM 947 O GLU A 68 -1.922 -8.473 -1.602 1.00 0.00 O ATOM 948 CB GLU A 68 -4.065 -9.121 -4.147 1.00 0.00 C ATOM 949 CG GLU A 68 -4.200 -10.082 -5.337 1.00 0.00 C ATOM 950 CD GLU A 68 -2.879 -10.473 -5.993 1.00 0.00 C ATOM 951 OE1 GLU A 68 -1.809 -10.055 -5.500 1.00 0.00 O ATOM 952 OE2 GLU A 68 -2.972 -11.208 -7.000 1.00 0.00 O ATOM 0 H GLU A 68 -5.273 -10.657 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.498 -10.222 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.053 -8.739 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.462 -8.266 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.705 -10.987 -5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.841 -9.621 -6.088 1.00 0.00 H new ATOM 959 N LEU A 69 -4.090 -8.059 -1.220 1.00 0.00 N ATOM 960 CA LEU A 69 -3.883 -7.058 -0.177 1.00 0.00 C ATOM 961 C LEU A 69 -2.986 -7.622 0.928 1.00 0.00 C ATOM 962 O LEU A 69 -1.994 -6.994 1.305 1.00 0.00 O ATOM 963 CB LEU A 69 -5.229 -6.595 0.408 1.00 0.00 C ATOM 964 CG LEU A 69 -6.095 -5.784 -0.573 1.00 0.00 C ATOM 965 CD1 LEU A 69 -7.527 -5.661 -0.040 1.00 0.00 C ATOM 966 CD2 LEU A 69 -5.553 -4.366 -0.766 1.00 0.00 C ATOM 0 H LEU A 69 -5.074 -8.229 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.389 -6.194 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.791 -7.470 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.039 -5.989 1.294 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.076 -6.316 -1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.129 -5.085 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.958 -6.655 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.514 -5.155 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.191 -3.825 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.543 -3.847 0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.539 -4.415 -1.163 1.00 0.00 H new ATOM 978 N LYS A 70 -3.325 -8.809 1.441 1.00 0.00 N ATOM 979 CA LYS A 70 -2.532 -9.464 2.469 1.00 0.00 C ATOM 980 C LYS A 70 -1.118 -9.691 1.949 1.00 0.00 C ATOM 981 O LYS A 70 -0.152 -9.353 2.624 1.00 0.00 O ATOM 982 CB LYS A 70 -3.196 -10.776 2.899 1.00 0.00 C ATOM 983 CG LYS A 70 -4.487 -10.482 3.670 1.00 0.00 C ATOM 984 CD LYS A 70 -5.259 -11.769 3.964 1.00 0.00 C ATOM 985 CE LYS A 70 -6.577 -11.416 4.660 1.00 0.00 C ATOM 986 NZ LYS A 70 -7.345 -12.624 5.005 1.00 0.00 N ATOM 0 H LYS A 70 -4.151 -9.334 1.154 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.474 -8.826 3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.417 -11.386 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.513 -11.351 3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.248 -9.976 4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.113 -9.803 3.091 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.456 -12.309 3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.664 -12.428 4.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.370 -10.844 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.174 -10.778 4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.231 -12.349 5.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.563 -13.156 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.784 -13.221 5.646 1.00 0.00 H new ATOM 1000 N ALA A 71 -0.983 -10.226 0.736 1.00 0.00 N ATOM 1001 CA ALA A 71 0.327 -10.460 0.154 1.00 0.00 C ATOM 1002 C ALA A 71 1.118 -9.160 -0.041 1.00 0.00 C ATOM 1003 O ALA A 71 2.331 -9.153 0.147 1.00 0.00 O ATOM 1004 CB ALA A 71 0.165 -11.232 -1.154 1.00 0.00 C ATOM 0 H ALA A 71 -1.765 -10.503 0.143 1.00 0.00 H new ATOM 0 HA ALA A 71 0.914 -11.060 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.146 -11.410 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.322 -12.186 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.444 -10.651 -1.846 1.00 0.00 H new ATOM 1010 N LEU A 72 0.456 -8.060 -0.410 1.00 0.00 N ATOM 1011 CA LEU A 72 1.072 -6.761 -0.620 1.00 0.00 C ATOM 1012 C LEU A 72 1.675 -6.319 0.705 1.00 0.00 C ATOM 1013 O LEU A 72 2.855 -5.974 0.795 1.00 0.00 O ATOM 1014 CB LEU A 72 -0.038 -5.827 -1.132 1.00 0.00 C ATOM 1015 CG LEU A 72 0.367 -4.596 -1.951 1.00 0.00 C ATOM 1016 CD1 LEU A 72 1.411 -4.913 -3.024 1.00 0.00 C ATOM 1017 CD2 LEU A 72 -0.903 -4.060 -2.624 1.00 0.00 C ATOM 0 H LEU A 72 -0.551 -8.056 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 72 1.878 -6.765 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.718 -6.422 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.605 -5.480 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 72 0.820 -3.865 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.658 -4.003 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.310 -5.308 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.009 -5.654 -3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.656 -3.180 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.324 -4.829 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.633 -3.789 -1.861 1.00 0.00 H new ATOM 1029 N ALA A 73 0.841 -6.378 1.743 1.00 0.00 N ATOM 1030 CA ALA A 73 1.258 -6.085 3.103 1.00 0.00 C ATOM 1031 C ALA A 73 2.444 -6.964 3.512 1.00 0.00 C ATOM 1032 O ALA A 73 3.464 -6.457 3.972 1.00 0.00 O ATOM 1033 CB ALA A 73 0.075 -6.281 4.048 1.00 0.00 C ATOM 0 H ALA A 73 -0.143 -6.631 1.658 1.00 0.00 H new ATOM 0 HA ALA A 73 1.588 -5.048 3.161 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.385 -6.062 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.734 -5.609 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.272 -7.313 3.988 1.00 0.00 H new ATOM 1039 N ASP A 74 2.322 -8.284 3.342 1.00 0.00 N ATOM 1040 CA ASP A 74 3.374 -9.231 3.692 1.00 0.00 C ATOM 1041 C ASP A 74 4.680 -8.855 2.994 1.00 0.00 C ATOM 1042 O ASP A 74 5.725 -8.797 3.636 1.00 0.00 O ATOM 1043 CB ASP A 74 2.969 -10.669 3.332 1.00 0.00 C ATOM 1044 CG ASP A 74 1.752 -11.179 4.101 1.00 0.00 C ATOM 1045 OD1 ASP A 74 1.584 -10.758 5.267 1.00 0.00 O ATOM 1046 OD2 ASP A 74 1.019 -12.003 3.512 1.00 0.00 O ATOM 0 H ASP A 74 1.486 -8.723 2.956 1.00 0.00 H new ATOM 0 HA ASP A 74 3.525 -9.184 4.771 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.759 -10.721 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.812 -11.333 3.524 1.00 0.00 H new ATOM 1051 N TYR A 75 4.617 -8.586 1.687 1.00 0.00 N ATOM 1052 CA TYR A 75 5.770 -8.201 0.888 1.00 0.00 C ATOM 1053 C TYR A 75 6.447 -6.971 1.493 1.00 0.00 C ATOM 1054 O TYR A 75 7.627 -7.003 1.838 1.00 0.00 O ATOM 1055 CB TYR A 75 5.321 -7.943 -0.555 1.00 0.00 C ATOM 1056 CG TYR A 75 6.452 -7.715 -1.535 1.00 0.00 C ATOM 1057 CD1 TYR A 75 7.346 -8.762 -1.829 1.00 0.00 C ATOM 1058 CD2 TYR A 75 6.599 -6.470 -2.174 1.00 0.00 C ATOM 1059 CE1 TYR A 75 8.386 -8.562 -2.752 1.00 0.00 C ATOM 1060 CE2 TYR A 75 7.633 -6.277 -3.106 1.00 0.00 C ATOM 1061 CZ TYR A 75 8.529 -7.321 -3.391 1.00 0.00 C ATOM 1062 OH TYR A 75 9.521 -7.144 -4.308 1.00 0.00 O ATOM 0 H TYR A 75 3.749 -8.632 1.153 1.00 0.00 H new ATOM 0 HA TYR A 75 6.503 -9.008 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.729 -8.793 -0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.666 -7.072 -0.568 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.232 -9.720 -1.344 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.918 -5.663 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.076 -9.364 -2.970 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.739 -5.325 -3.604 1.00 0.00 H new ATOM 0 HH TYR A 75 9.483 -6.230 -4.659 1.00 0.00 H new ATOM 1072 N MET A 76 5.691 -5.880 1.643 1.00 0.00 N ATOM 1073 CA MET A 76 6.226 -4.658 2.241 1.00 0.00 C ATOM 1074 C MET A 76 6.688 -4.873 3.686 1.00 0.00 C ATOM 1075 O MET A 76 7.562 -4.152 4.161 1.00 0.00 O ATOM 1076 CB MET A 76 5.240 -3.499 2.076 1.00 0.00 C ATOM 1077 CG MET A 76 5.499 -2.847 0.712 1.00 0.00 C ATOM 1078 SD MET A 76 4.267 -1.651 0.165 1.00 0.00 S ATOM 1079 CE MET A 76 3.055 -2.782 -0.524 1.00 0.00 C ATOM 0 H MET A 76 4.713 -5.819 1.360 1.00 0.00 H new ATOM 0 HA MET A 76 7.129 -4.379 1.698 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.213 -3.860 2.137 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.370 -2.771 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.469 -2.351 0.746 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.571 -3.635 -0.038 1.00 0.00 H new ATOM 0 HE1 MET A 76 2.187 -2.220 -0.867 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.495 -3.319 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.746 -3.495 0.241 1.00 0.00 H new ATOM 1089 N SER A 77 6.145 -5.878 4.378 1.00 0.00 N ATOM 1090 CA SER A 77 6.582 -6.255 5.715 1.00 0.00 C ATOM 1091 C SER A 77 7.823 -7.156 5.676 1.00 0.00 C ATOM 1092 O SER A 77 8.171 -7.716 6.717 1.00 0.00 O ATOM 1093 CB SER A 77 5.451 -6.988 6.442 1.00 0.00 C ATOM 1094 OG SER A 77 5.747 -7.107 7.823 1.00 0.00 O ATOM 0 H SER A 77 5.384 -6.454 4.019 1.00 0.00 H new ATOM 0 HA SER A 77 6.842 -5.340 6.247 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.514 -6.447 6.310 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.312 -7.978 6.007 1.00 0.00 H new ATOM 0 HG SER A 77 6.668 -7.422 7.934 1.00 0.00 H new ATOM 1100 N LYS A 78 8.463 -7.339 4.516 1.00 0.00 N ATOM 1101 CA LYS A 78 9.632 -8.186 4.353 1.00 0.00 C ATOM 1102 C LYS A 78 10.549 -7.450 3.378 1.00 0.00 C ATOM 1103 O LYS A 78 11.080 -8.026 2.429 1.00 0.00 O ATOM 1104 CB LYS A 78 9.161 -9.556 3.838 1.00 0.00 C ATOM 1105 CG LYS A 78 10.238 -10.643 3.953 1.00 0.00 C ATOM 1106 CD LYS A 78 9.818 -11.933 3.236 1.00 0.00 C ATOM 1107 CE LYS A 78 8.541 -12.545 3.825 1.00 0.00 C ATOM 1108 NZ LYS A 78 8.237 -13.847 3.206 1.00 0.00 N ATOM 0 H LYS A 78 8.170 -6.888 3.649 1.00 0.00 H new ATOM 0 HA LYS A 78 10.180 -8.372 5.277 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.279 -9.865 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.858 -9.461 2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.172 -10.277 3.527 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.429 -10.856 5.005 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.661 -11.722 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.628 -12.660 3.299 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.658 -12.670 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.704 -11.863 3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.368 -14.236 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.102 -13.722 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.026 -14.504 3.373 1.00 0.00 H new ATOM 1122 N LEU A 79 10.697 -6.149 3.618 1.00 0.00 N ATOM 1123 CA LEU A 79 11.415 -5.204 2.818 1.00 0.00 C ATOM 1124 C LEU A 79 11.907 -4.155 3.810 1.00 0.00 C ATOM 1125 O LEU A 79 11.176 -3.950 4.806 1.00 0.00 O ATOM 1126 CB LEU A 79 10.393 -4.597 1.850 1.00 0.00 C ATOM 1127 CG LEU A 79 10.463 -5.161 0.424 1.00 0.00 C ATOM 1128 CD1 LEU A 79 9.283 -4.621 -0.392 1.00 0.00 C ATOM 1129 CD2 LEU A 79 11.775 -4.770 -0.260 1.00 0.00 C ATOM 1130 OXT LEU A 79 12.988 -3.583 3.559 1.00 0.00 O ATOM 0 H LEU A 79 10.281 -5.713 4.441 1.00 0.00 H new ATOM 0 HA LEU A 79 12.247 -5.620 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.391 -4.764 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 79 10.544 -3.518 1.810 1.00 0.00 H new ATOM 0 HG LEU A 79 10.416 -6.249 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.329 -5.019 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.347 -4.927 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.333 -3.533 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.797 -5.183 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.849 -3.684 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.615 -5.164 0.312 1.00 0.00 H new