USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 54 GLN : amide:sc= 0.954 K(o=2.1,f=0.95) USER MOD Set 1.2: A 56 THR OG1 : rot 136:sc= 1.17 USER MOD Set 2.1: A 6 THR OG1 : rot 180:sc= -0.347 USER MOD Set 2.2: A 15 ASN : amide:sc= -7.66! C(o=-12!,f=-22!) USER MOD Set 2.3: A 17 HIS : no HE2:sc= -4.2! C(o=-12!,f=-12!) USER MOD Set 3.1: A 7 CYS SG : rot -142:sc= -6.73! USER MOD Set 3.2: A 12 CYS SG : rot 125:sc= -13.9! USER MOD Set 3.3: A 14 ASN : amide:sc= -10.3! C(o=-38!,f=-41!) USER MOD Set 3.4: A 62 CYS SG : rot -146:sc= -0.894 USER MOD Set 3.5: A 63 SER OG : rot -141:sc= 0 USER MOD Set 3.6: A 65 HIS :FLIP no HD1:sc= -6.59! C(o=-42!,f=-38!) USER MOD Single : A 8 CYS SG : rot -45:sc= -0.8 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 119:sc= -6.32! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0.704 (180deg=0.704) USER MOD Single : A 23 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.47) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -4.37 K(o=-4.4,f=-11!) USER MOD Single : A 42 SER OG : rot -139:sc= -1.49 USER MOD Single : A 52 THR OG1 : rot 65:sc= 0.68 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -6.85! C(o=-6.8!,f=-6.4!) USER MOD Single : A 67 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.0011) USER MOD Single : A 71 LYS NZ :NH3+ -142:sc= 0.0871 (180deg=-1.11!) USER MOD Single : A 72 THR OG1 : rot -32:sc= -0.0553 USER MOD Single : A 73 TYR OH : rot -152:sc= -0.821 USER MOD Single : A 74 THR OG1 : rot 61:sc= -0.23! USER MOD Single : A 79 THR OG1 : rot 170:sc= -2.12! USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.784 12.865 -0.600 1.00 0.00 N ATOM 36 CA GLY A 4 2.854 11.837 -1.029 1.00 0.00 C ATOM 37 C GLY A 4 3.575 10.593 -1.545 1.00 0.00 C ATOM 38 O GLY A 4 4.806 10.559 -1.544 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.208 11.562 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.210 12.235 -1.814 1.00 0.00 H new ATOM 42 N PHE A 5 2.834 9.556 -1.974 1.00 0.00 N ATOM 43 CA PHE A 5 3.486 8.331 -2.464 1.00 0.00 C ATOM 44 C PHE A 5 2.589 7.424 -3.345 1.00 0.00 C ATOM 45 O PHE A 5 3.058 6.396 -3.833 1.00 0.00 O ATOM 46 CB PHE A 5 4.017 7.504 -1.282 1.00 0.00 C ATOM 47 CG PHE A 5 4.211 8.277 -0.003 1.00 0.00 C ATOM 48 CD1 PHE A 5 3.136 8.559 0.826 1.00 0.00 C ATOM 49 CD2 PHE A 5 5.471 8.719 0.369 1.00 0.00 C ATOM 50 CE1 PHE A 5 3.315 9.267 2.001 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.655 9.426 1.542 1.00 0.00 C ATOM 52 CZ PHE A 5 4.576 9.702 2.358 1.00 0.00 C ATOM 0 H PHE A 5 1.814 9.540 -1.992 1.00 0.00 H new ATOM 0 HA PHE A 5 4.297 8.679 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.325 6.683 -1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.970 7.058 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.147 8.222 0.551 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.319 8.508 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.469 9.479 2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.643 9.763 1.820 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.718 10.257 3.274 1.00 0.00 H new ATOM 62 N THR A 6 1.316 7.780 -3.543 1.00 0.00 N ATOM 63 CA THR A 6 0.397 6.955 -4.358 1.00 0.00 C ATOM 64 C THR A 6 0.252 5.529 -3.776 1.00 0.00 C ATOM 65 O THR A 6 1.218 4.775 -3.733 1.00 0.00 O ATOM 66 CB THR A 6 0.883 6.885 -5.807 1.00 0.00 C ATOM 67 OG1 THR A 6 1.869 7.871 -6.054 1.00 0.00 O ATOM 68 CG2 THR A 6 -0.226 7.082 -6.820 1.00 0.00 C ATOM 0 H THR A 6 0.894 8.625 -3.157 1.00 0.00 H new ATOM 0 HA THR A 6 -0.583 7.431 -4.335 1.00 0.00 H new ATOM 0 HB THR A 6 1.290 5.881 -5.927 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.168 7.809 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.186 7.021 -7.827 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.981 6.306 -6.689 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.683 8.061 -6.674 1.00 0.00 H new ATOM 76 N CYS A 7 -0.968 5.176 -3.310 1.00 0.00 N ATOM 77 CA CYS A 7 -1.225 3.850 -2.730 1.00 0.00 C ATOM 78 C CYS A 7 -1.796 2.945 -3.794 1.00 0.00 C ATOM 79 O CYS A 7 -2.468 1.964 -3.489 1.00 0.00 O ATOM 80 CB CYS A 7 -2.196 3.899 -1.512 1.00 0.00 C ATOM 81 SG CYS A 7 -3.836 4.581 -1.859 1.00 0.00 S ATOM 0 H CYS A 7 -1.781 5.791 -3.327 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.273 3.466 -2.364 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.316 2.888 -1.123 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -1.733 4.492 -0.723 1.00 0.00 H new ATOM 0 HG CYS A 7 -4.234 5.290 -0.845 1.00 0.00 H new ATOM 86 N CYS A 8 -1.537 3.281 -5.061 1.00 0.00 N ATOM 87 CA CYS A 8 -2.058 2.487 -6.150 1.00 0.00 C ATOM 88 C CYS A 8 -3.556 2.402 -5.949 1.00 0.00 C ATOM 89 O CYS A 8 -4.139 1.322 -5.868 1.00 0.00 O ATOM 90 CB CYS A 8 -1.397 1.106 -6.142 1.00 0.00 C ATOM 91 SG CYS A 8 -2.186 -0.131 -7.203 1.00 0.00 S ATOM 0 H CYS A 8 -0.978 4.086 -5.344 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.843 2.932 -7.121 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.357 1.216 -6.451 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.388 0.731 -5.119 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.475 -0.086 -7.038 1.00 0.00 H new ATOM 97 N VAL A 9 -4.151 3.576 -5.787 1.00 0.00 N ATOM 98 CA VAL A 9 -5.570 3.682 -5.512 1.00 0.00 C ATOM 99 C VAL A 9 -6.393 3.833 -6.787 1.00 0.00 C ATOM 100 O VAL A 9 -6.551 4.933 -7.315 1.00 0.00 O ATOM 101 CB VAL A 9 -5.797 4.914 -4.596 1.00 0.00 C ATOM 102 CG1 VAL A 9 -5.086 6.118 -5.165 1.00 0.00 C ATOM 103 CG2 VAL A 9 -7.263 5.240 -4.366 1.00 0.00 C ATOM 0 H VAL A 9 -3.666 4.471 -5.843 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.898 2.764 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.382 4.653 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.251 6.978 -4.516 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.018 5.912 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.476 6.334 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.344 6.112 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.743 5.453 -5.321 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.755 4.389 -3.894 1.00 0.00 H new ATOM 113 N PRO A 10 -6.967 2.718 -7.270 1.00 0.00 N ATOM 114 CA PRO A 10 -7.822 2.716 -8.459 1.00 0.00 C ATOM 115 C PRO A 10 -9.206 3.243 -8.108 1.00 0.00 C ATOM 116 O PRO A 10 -9.839 3.967 -8.877 1.00 0.00 O ATOM 117 CB PRO A 10 -7.898 1.233 -8.817 1.00 0.00 C ATOM 118 CG PRO A 10 -7.790 0.541 -7.499 1.00 0.00 C ATOM 119 CD PRO A 10 -6.821 1.363 -6.694 1.00 0.00 C ATOM 0 HA PRO A 10 -7.446 3.341 -9.269 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.834 0.991 -9.320 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.090 0.942 -9.489 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.760 0.482 -7.005 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.432 -0.481 -7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.066 1.348 -5.632 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.801 0.992 -6.791 1.00 0.00 H new ATOM 127 N GLY A 11 -9.644 2.866 -6.915 1.00 0.00 N ATOM 128 CA GLY A 11 -10.929 3.277 -6.397 1.00 0.00 C ATOM 129 C GLY A 11 -11.068 2.904 -4.932 1.00 0.00 C ATOM 130 O GLY A 11 -12.178 2.753 -4.424 1.00 0.00 O ATOM 0 H GLY A 11 -9.114 2.266 -6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.045 4.354 -6.514 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.725 2.806 -6.973 1.00 0.00 H new ATOM 134 N CYS A 12 -9.926 2.748 -4.256 1.00 0.00 N ATOM 135 CA CYS A 12 -9.904 2.383 -2.847 1.00 0.00 C ATOM 136 C CYS A 12 -10.585 3.470 -2.004 1.00 0.00 C ATOM 137 O CYS A 12 -11.545 4.095 -2.455 1.00 0.00 O ATOM 138 CB CYS A 12 -8.450 2.141 -2.392 1.00 0.00 C ATOM 139 SG CYS A 12 -7.491 3.651 -2.176 1.00 0.00 S ATOM 0 H CYS A 12 -9.002 2.871 -4.670 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.462 1.458 -2.704 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.461 1.592 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.951 1.507 -3.125 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.990 3.679 -0.977 1.00 0.00 H new ATOM 144 N TYR A 13 -10.102 3.691 -0.782 1.00 0.00 N ATOM 145 CA TYR A 13 -10.693 4.691 0.095 1.00 0.00 C ATOM 146 C TYR A 13 -9.871 5.974 0.152 1.00 0.00 C ATOM 147 O TYR A 13 -10.403 7.082 0.076 1.00 0.00 O ATOM 148 CB TYR A 13 -10.857 4.121 1.504 1.00 0.00 C ATOM 149 CG TYR A 13 -12.160 3.380 1.717 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.850 2.820 0.648 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.700 3.242 2.989 1.00 0.00 C ATOM 152 CE1 TYR A 13 -14.040 2.145 0.842 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.887 2.566 3.192 1.00 0.00 C ATOM 154 CZ TYR A 13 -14.553 2.020 2.116 1.00 0.00 C ATOM 155 OH TYR A 13 -15.737 1.346 2.314 1.00 0.00 O ATOM 0 H TYR A 13 -9.307 3.192 -0.382 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.668 4.945 -0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.028 3.445 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.791 4.936 2.225 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.449 2.914 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -12.183 3.671 3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.565 1.718 0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.291 2.466 4.188 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.959 1.347 3.269 1.00 0.00 H new ATOM 165 N ASN A 14 -8.583 5.796 0.348 1.00 0.00 N ATOM 166 CA ASN A 14 -7.631 6.891 0.500 1.00 0.00 C ATOM 167 C ASN A 14 -6.491 6.809 -0.532 1.00 0.00 C ATOM 168 O ASN A 14 -6.201 5.723 -1.011 1.00 0.00 O ATOM 169 CB ASN A 14 -7.020 6.882 1.879 1.00 0.00 C ATOM 170 CG ASN A 14 -7.684 5.921 2.858 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.007 5.145 3.532 1.00 0.00 O ATOM 172 ND2 ASN A 14 -9.007 5.974 2.952 1.00 0.00 N ATOM 0 H ASN A 14 -8.154 4.873 0.408 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.192 7.812 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.965 6.622 1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.068 7.890 2.290 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.497 5.358 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.533 6.631 2.376 1.00 0.00 H new ATOM 179 N ASN A 15 -5.823 7.932 -0.877 1.00 0.00 N ATOM 180 CA ASN A 15 -4.729 7.862 -1.847 1.00 0.00 C ATOM 181 C ASN A 15 -3.378 8.087 -1.108 1.00 0.00 C ATOM 182 O ASN A 15 -3.385 8.621 0.001 1.00 0.00 O ATOM 183 CB ASN A 15 -4.912 8.926 -2.938 1.00 0.00 C ATOM 184 CG ASN A 15 -4.056 8.660 -4.163 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.910 8.229 -4.051 1.00 0.00 O ATOM 186 ND2 ASN A 15 -4.611 8.915 -5.345 1.00 0.00 N ATOM 0 H ASN A 15 -6.019 8.863 -0.509 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.731 6.880 -2.320 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.961 8.962 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.662 9.906 -2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.082 8.753 -6.202 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.565 9.272 -5.394 1.00 0.00 H new ATOM 193 N SER A 16 -2.218 7.652 -1.670 1.00 0.00 N ATOM 194 CA SER A 16 -0.944 7.799 -0.981 1.00 0.00 C ATOM 195 C SER A 16 -0.263 9.175 -1.221 1.00 0.00 C ATOM 196 O SER A 16 0.679 9.508 -0.501 1.00 0.00 O ATOM 197 CB SER A 16 -0.001 6.658 -1.417 1.00 0.00 C ATOM 198 OG SER A 16 1.339 6.954 -1.089 1.00 0.00 O ATOM 0 H SER A 16 -2.157 7.206 -2.585 1.00 0.00 H new ATOM 0 HA SER A 16 -1.149 7.746 0.088 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.301 5.729 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.089 6.500 -2.492 1.00 0.00 H new ATOM 0 HG SER A 16 1.681 6.277 -0.469 1.00 0.00 H new ATOM 204 N HIS A 17 -0.700 9.974 -2.221 1.00 0.00 N ATOM 205 CA HIS A 17 -0.061 11.274 -2.478 1.00 0.00 C ATOM 206 C HIS A 17 -1.080 12.369 -2.807 1.00 0.00 C ATOM 207 O HIS A 17 -0.734 13.367 -3.438 1.00 0.00 O ATOM 208 CB HIS A 17 0.947 11.174 -3.638 1.00 0.00 C ATOM 209 CG HIS A 17 0.311 10.923 -4.971 1.00 0.00 C ATOM 210 ND1 HIS A 17 0.626 11.644 -6.103 1.00 0.00 N ATOM 211 CD2 HIS A 17 -0.629 10.024 -5.350 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.093 11.201 -7.119 1.00 0.00 C ATOM 213 NE2 HIS A 17 -0.860 10.218 -6.689 1.00 0.00 N ATOM 0 H HIS A 17 -1.473 9.745 -2.846 1.00 0.00 H new ATOM 0 HA HIS A 17 0.456 11.545 -1.557 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.522 12.099 -3.688 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.653 10.371 -3.426 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.308 12.401 -6.149 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.107 9.291 -4.717 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.059 11.580 -8.130 1.00 0.00 H new ATOM 222 N ARG A 18 -2.326 12.190 -2.388 1.00 0.00 N ATOM 223 CA ARG A 18 -3.365 13.185 -2.663 1.00 0.00 C ATOM 224 C ARG A 18 -4.233 13.446 -1.431 1.00 0.00 C ATOM 225 O ARG A 18 -5.254 14.126 -1.514 1.00 0.00 O ATOM 226 CB ARG A 18 -4.234 12.717 -3.832 1.00 0.00 C ATOM 227 CG ARG A 18 -5.137 13.795 -4.412 1.00 0.00 C ATOM 228 CD ARG A 18 -6.195 13.192 -5.323 1.00 0.00 C ATOM 229 NE ARG A 18 -5.722 13.056 -6.700 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.244 12.204 -7.583 1.00 0.00 C ATOM 231 NH1 ARG A 18 -7.258 11.419 -7.243 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.749 12.139 -8.812 1.00 0.00 N ATOM 0 H ARG A 18 -2.644 11.376 -1.862 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.875 14.122 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.586 12.338 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.851 11.883 -3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.619 14.344 -3.603 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.538 14.513 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.486 12.213 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.087 13.819 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.948 13.647 -7.003 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.644 11.464 -6.300 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.651 10.770 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.970 12.740 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.147 11.488 -9.488 1.00 0.00 H new ATOM 246 N ASP A 19 -3.820 12.907 -0.290 1.00 0.00 N ATOM 247 CA ASP A 19 -4.559 13.081 0.959 1.00 0.00 C ATOM 248 C ASP A 19 -3.652 12.854 2.158 1.00 0.00 C ATOM 249 O ASP A 19 -3.269 13.799 2.847 1.00 0.00 O ATOM 250 CB ASP A 19 -5.772 12.146 1.011 1.00 0.00 C ATOM 251 CG ASP A 19 -6.479 12.016 -0.327 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.277 12.916 -0.665 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.231 11.017 -1.035 1.00 0.00 O ATOM 0 H ASP A 19 -2.974 12.343 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.922 14.108 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.449 11.159 1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.478 12.517 1.754 1.00 0.00 H new ATOM 258 N LYS A 20 -3.309 11.603 2.398 1.00 0.00 N ATOM 259 CA LYS A 20 -2.440 11.244 3.507 1.00 0.00 C ATOM 260 C LYS A 20 -3.106 11.532 4.859 1.00 0.00 C ATOM 261 O LYS A 20 -2.440 11.521 5.895 1.00 0.00 O ATOM 262 CB LYS A 20 -1.097 11.992 3.369 1.00 0.00 C ATOM 263 CG LYS A 20 -0.932 13.204 4.283 1.00 0.00 C ATOM 264 CD LYS A 20 -0.114 12.866 5.519 1.00 0.00 C ATOM 265 CE LYS A 20 -0.709 13.487 6.774 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.884 12.482 7.859 1.00 0.00 N ATOM 0 H LYS A 20 -3.621 10.811 1.836 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.251 10.171 3.473 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.287 11.292 3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.986 12.319 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.446 14.011 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.914 13.569 4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.063 11.784 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.908 13.220 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.061 14.291 7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.673 13.936 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.292 12.943 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.522 11.728 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.040 12.072 8.105 1.00 0.00 H new ATOM 280 N ALA A 21 -4.417 11.791 4.850 1.00 0.00 N ATOM 281 CA ALA A 21 -5.137 12.078 6.093 1.00 0.00 C ATOM 282 C ALA A 21 -6.128 10.970 6.505 1.00 0.00 C ATOM 283 O ALA A 21 -6.987 11.210 7.352 1.00 0.00 O ATOM 284 CB ALA A 21 -5.874 13.404 5.966 1.00 0.00 C ATOM 0 H ALA A 21 -4.994 11.808 4.009 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.385 12.129 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.408 13.614 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.157 14.202 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.585 13.347 5.142 1.00 0.00 H new ATOM 290 N LEU A 22 -6.030 9.767 5.917 1.00 0.00 N ATOM 291 CA LEU A 22 -6.962 8.680 6.272 1.00 0.00 C ATOM 292 C LEU A 22 -6.222 7.548 7.090 1.00 0.00 C ATOM 293 O LEU A 22 -5.688 7.885 8.147 1.00 0.00 O ATOM 294 CB LEU A 22 -7.777 8.255 5.009 1.00 0.00 C ATOM 295 CG LEU A 22 -8.602 9.379 4.376 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.715 9.831 5.309 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.728 10.548 3.994 1.00 0.00 C ATOM 0 H LEU A 22 -5.335 9.524 5.211 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.726 9.012 6.975 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.087 7.864 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.447 7.440 5.282 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.056 8.982 3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.285 10.630 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.376 8.990 5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.283 10.197 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.342 11.330 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.233 10.938 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.977 10.221 3.275 1.00 0.00 H new ATOM 309 N HIS A 23 -6.167 6.240 6.701 1.00 0.00 N ATOM 310 CA HIS A 23 -5.482 5.247 7.524 1.00 0.00 C ATOM 311 C HIS A 23 -4.339 4.580 6.728 1.00 0.00 C ATOM 312 O HIS A 23 -4.523 4.296 5.544 1.00 0.00 O ATOM 313 CB HIS A 23 -6.493 4.189 7.956 1.00 0.00 C ATOM 314 CG HIS A 23 -6.393 3.817 9.402 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.285 4.097 10.176 1.00 0.00 N ATOM 316 CD2 HIS A 23 -7.267 3.177 10.216 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.481 3.644 11.402 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.675 3.083 11.452 1.00 0.00 N ATOM 0 H HIS A 23 -6.582 5.875 5.844 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.052 5.736 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.499 4.556 7.753 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.352 3.295 7.349 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.246 2.810 9.944 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.783 3.720 12.223 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -7.091 2.649 12.276 1.00 0.00 H new ATOM 327 N PHE A 24 -3.157 4.330 7.336 1.00 0.00 N ATOM 328 CA PHE A 24 -2.066 3.710 6.590 1.00 0.00 C ATOM 329 C PHE A 24 -1.443 2.484 7.327 1.00 0.00 C ATOM 330 O PHE A 24 -0.935 2.644 8.436 1.00 0.00 O ATOM 331 CB PHE A 24 -1.004 4.769 6.290 1.00 0.00 C ATOM 332 CG PHE A 24 -1.540 5.880 5.419 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.471 6.777 5.918 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.141 6.013 4.093 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.986 7.783 5.119 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.655 7.010 3.293 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.577 7.894 3.804 1.00 0.00 C ATOM 0 H PHE A 24 -2.948 4.544 8.311 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.476 3.318 5.659 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.636 5.188 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.154 4.299 5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.799 6.690 6.943 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.417 5.324 3.684 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.706 8.480 5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.334 7.098 2.265 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.981 8.675 3.177 1.00 0.00 H new ATOM 347 N TYR A 25 -1.444 1.268 6.713 1.00 0.00 N ATOM 348 CA TYR A 25 -0.838 0.088 7.343 1.00 0.00 C ATOM 349 C TYR A 25 0.660 0.080 7.004 1.00 0.00 C ATOM 350 O TYR A 25 1.037 0.685 6.009 1.00 0.00 O ATOM 351 CB TYR A 25 -1.508 -1.193 6.848 1.00 0.00 C ATOM 352 CG TYR A 25 -2.948 -1.341 7.291 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.897 -0.375 6.970 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.362 -2.450 8.018 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.214 -0.510 7.363 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.679 -2.593 8.415 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.602 -1.622 8.085 1.00 0.00 C ATOM 358 OH TYR A 25 -6.912 -1.760 8.478 1.00 0.00 O ATOM 0 H TYR A 25 -1.854 1.093 5.796 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.976 0.132 8.423 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.469 -1.215 5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.938 -2.051 7.205 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.598 0.495 6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.643 -3.213 8.278 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.937 0.250 7.107 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.984 -3.461 8.981 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.018 -2.598 8.976 1.00 0.00 H new ATOM 368 N THR A 26 1.530 -0.551 7.814 1.00 0.00 N ATOM 369 CA THR A 26 2.974 -0.493 7.535 1.00 0.00 C ATOM 370 C THR A 26 3.551 -1.776 6.913 1.00 0.00 C ATOM 371 O THR A 26 2.841 -2.760 6.708 1.00 0.00 O ATOM 372 CB THR A 26 3.757 -0.112 8.805 1.00 0.00 C ATOM 373 OG1 THR A 26 4.617 -1.164 9.210 1.00 0.00 O ATOM 374 CG2 THR A 26 2.873 0.230 9.989 1.00 0.00 C ATOM 0 H THR A 26 1.269 -1.090 8.640 1.00 0.00 H new ATOM 0 HA THR A 26 3.095 0.283 6.779 1.00 0.00 H new ATOM 0 HB THR A 26 4.321 0.777 8.524 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.104 -0.896 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.496 0.488 10.846 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.236 1.078 9.735 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.250 -0.629 10.238 1.00 0.00 H new ATOM 382 N PHE A 27 4.840 -1.695 6.518 1.00 0.00 N ATOM 383 CA PHE A 27 5.529 -2.772 5.803 1.00 0.00 C ATOM 384 C PHE A 27 6.122 -3.918 6.665 1.00 0.00 C ATOM 385 O PHE A 27 6.869 -3.655 7.607 1.00 0.00 O ATOM 386 CB PHE A 27 6.678 -2.138 5.022 1.00 0.00 C ATOM 387 CG PHE A 27 6.579 -2.224 3.523 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.372 -2.471 2.899 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.712 -2.068 2.734 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.297 -2.558 1.528 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.638 -2.163 1.361 1.00 0.00 C ATOM 392 CZ PHE A 27 6.424 -2.409 0.756 1.00 0.00 C ATOM 0 H PHE A 27 5.425 -0.878 6.690 1.00 0.00 H new ATOM 0 HA PHE A 27 4.763 -3.247 5.190 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.746 -1.087 5.303 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.609 -2.612 5.333 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.479 -2.597 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.664 -1.869 3.203 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.344 -2.745 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.528 -2.045 0.761 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.359 -2.484 -0.319 1.00 0.00 H new ATOM 402 N PRO A 28 5.817 -5.218 6.336 1.00 0.00 N ATOM 403 CA PRO A 28 6.354 -6.390 7.070 1.00 0.00 C ATOM 404 C PRO A 28 7.856 -6.250 7.384 1.00 0.00 C ATOM 405 O PRO A 28 8.499 -5.303 6.932 1.00 0.00 O ATOM 406 CB PRO A 28 6.146 -7.511 6.029 1.00 0.00 C ATOM 407 CG PRO A 28 4.851 -7.150 5.423 1.00 0.00 C ATOM 408 CD PRO A 28 4.881 -5.659 5.266 1.00 0.00 C ATOM 0 HA PRO A 28 5.875 -6.545 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.947 -7.532 5.290 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.115 -8.496 6.495 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.718 -7.643 4.460 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.021 -7.461 6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.234 -5.366 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.891 -5.222 5.393 1.00 0.00 H new ATOM 416 N LYS A 29 8.420 -7.191 8.160 1.00 0.00 N ATOM 417 CA LYS A 29 9.843 -7.136 8.517 1.00 0.00 C ATOM 418 C LYS A 29 10.701 -7.850 7.478 1.00 0.00 C ATOM 419 O LYS A 29 11.905 -7.616 7.386 1.00 0.00 O ATOM 420 CB LYS A 29 10.102 -7.749 9.905 1.00 0.00 C ATOM 421 CG LYS A 29 8.896 -8.433 10.536 1.00 0.00 C ATOM 422 CD LYS A 29 9.260 -9.101 11.854 1.00 0.00 C ATOM 423 CE LYS A 29 8.619 -10.474 11.982 1.00 0.00 C ATOM 424 NZ LYS A 29 9.618 -11.523 12.328 1.00 0.00 N ATOM 0 H LYS A 29 7.917 -7.989 8.547 1.00 0.00 H new ATOM 0 HA LYS A 29 10.121 -6.082 8.544 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.911 -8.475 9.821 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.448 -6.962 10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.107 -7.700 10.704 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.497 -9.178 9.847 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.343 -9.196 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.939 -8.470 12.683 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.845 -10.443 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.129 -10.735 11.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.141 -12.444 12.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.343 -11.570 11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.068 -11.288 13.236 1.00 0.00 H new ATOM 438 N ASP A 30 10.074 -8.716 6.697 1.00 0.00 N ATOM 439 CA ASP A 30 10.779 -9.464 5.658 1.00 0.00 C ATOM 440 C ASP A 30 10.914 -8.597 4.404 1.00 0.00 C ATOM 441 O ASP A 30 9.910 -8.230 3.793 1.00 0.00 O ATOM 442 CB ASP A 30 10.016 -10.761 5.320 1.00 0.00 C ATOM 443 CG ASP A 30 8.761 -10.960 6.156 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.791 -10.200 5.955 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.750 -11.876 7.005 1.00 0.00 O ATOM 0 H ASP A 30 9.077 -8.921 6.760 1.00 0.00 H new ATOM 0 HA ASP A 30 11.771 -9.729 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.742 -10.748 4.265 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.680 -11.613 5.467 1.00 0.00 H new ATOM 450 N ALA A 31 12.152 -8.243 4.034 1.00 0.00 N ATOM 451 CA ALA A 31 12.379 -7.396 2.875 1.00 0.00 C ATOM 452 C ALA A 31 11.508 -7.794 1.643 1.00 0.00 C ATOM 453 O ALA A 31 10.621 -7.049 1.257 1.00 0.00 O ATOM 454 CB ALA A 31 13.881 -7.339 2.564 1.00 0.00 C ATOM 0 H ALA A 31 13.000 -8.532 4.522 1.00 0.00 H new ATOM 0 HA ALA A 31 12.046 -6.387 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.049 -6.703 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.415 -6.929 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.248 -8.344 2.355 1.00 0.00 H new ATOM 460 N GLU A 32 11.723 -8.955 1.021 1.00 0.00 N ATOM 461 CA GLU A 32 10.918 -9.332 -0.160 1.00 0.00 C ATOM 462 C GLU A 32 9.439 -9.167 0.040 1.00 0.00 C ATOM 463 O GLU A 32 8.854 -8.338 -0.657 1.00 0.00 O ATOM 464 CB GLU A 32 11.274 -10.748 -0.641 1.00 0.00 C ATOM 465 CG GLU A 32 10.308 -11.345 -1.659 1.00 0.00 C ATOM 466 CD GLU A 32 9.058 -11.912 -1.017 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.135 -12.348 0.150 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.001 -11.923 -1.683 1.00 0.00 O ATOM 0 H GLU A 32 12.426 -9.639 1.299 1.00 0.00 H new ATOM 0 HA GLU A 32 11.183 -8.626 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.272 -10.726 -1.079 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.320 -11.409 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.025 -10.577 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.815 -12.133 -2.216 1.00 0.00 H new ATOM 475 N LEU A 33 8.794 -9.903 0.949 1.00 0.00 N ATOM 476 CA LEU A 33 7.375 -9.702 1.104 1.00 0.00 C ATOM 477 C LEU A 33 7.054 -8.215 0.927 1.00 0.00 C ATOM 478 O LEU A 33 6.091 -7.827 0.267 1.00 0.00 O ATOM 479 CB LEU A 33 6.912 -10.185 2.490 1.00 0.00 C ATOM 480 CG LEU A 33 5.419 -10.496 2.627 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.719 -10.494 1.276 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.213 -11.828 3.302 1.00 0.00 C ATOM 0 H LEU A 33 9.216 -10.606 1.555 1.00 0.00 H new ATOM 0 HA LEU A 33 6.845 -10.280 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.475 -11.082 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.173 -9.423 3.225 1.00 0.00 H new ATOM 0 HG LEU A 33 4.981 -9.709 3.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.661 -10.719 1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.824 -9.513 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.169 -11.249 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.146 -12.030 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.684 -12.613 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.661 -11.806 4.295 1.00 0.00 H new ATOM 494 N ARG A 34 7.942 -7.398 1.465 1.00 0.00 N ATOM 495 CA ARG A 34 7.812 -5.941 1.386 1.00 0.00 C ATOM 496 C ARG A 34 7.788 -5.478 -0.039 1.00 0.00 C ATOM 497 O ARG A 34 6.807 -4.869 -0.485 1.00 0.00 O ATOM 498 CB ARG A 34 8.905 -5.202 2.217 1.00 0.00 C ATOM 499 CG ARG A 34 10.219 -4.880 1.500 1.00 0.00 C ATOM 500 CD ARG A 34 10.568 -3.409 1.557 1.00 0.00 C ATOM 501 NE ARG A 34 11.827 -3.175 2.265 1.00 0.00 N ATOM 502 CZ ARG A 34 12.123 -2.045 2.903 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.273 -1.026 2.893 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.276 -1.932 3.551 1.00 0.00 N ATOM 0 H ARG A 34 8.771 -7.716 1.967 1.00 0.00 H new ATOM 0 HA ARG A 34 6.855 -5.679 1.836 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.480 -4.267 2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.136 -5.810 3.092 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.026 -5.459 1.950 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.146 -5.192 0.458 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.642 -3.014 0.544 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.765 -2.864 2.054 1.00 0.00 H new ATOM 0 HE ARG A 34 12.520 -3.923 2.270 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.387 -1.106 2.394 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.506 -0.163 3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.935 -2.711 3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.503 -1.066 4.040 1.00 0.00 H new ATOM 518 N ARG A 35 8.831 -5.798 -0.770 1.00 0.00 N ATOM 519 CA ARG A 35 8.886 -5.405 -2.145 1.00 0.00 C ATOM 520 C ARG A 35 7.642 -5.884 -2.842 1.00 0.00 C ATOM 521 O ARG A 35 7.098 -5.177 -3.690 1.00 0.00 O ATOM 522 CB ARG A 35 10.188 -5.870 -2.841 1.00 0.00 C ATOM 523 CG ARG A 35 10.242 -7.332 -3.286 1.00 0.00 C ATOM 524 CD ARG A 35 9.293 -7.621 -4.440 1.00 0.00 C ATOM 525 NE ARG A 35 9.983 -8.231 -5.574 1.00 0.00 N ATOM 526 CZ ARG A 35 10.673 -7.543 -6.481 1.00 0.00 C ATOM 527 NH1 ARG A 35 10.762 -6.220 -6.395 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.276 -8.176 -7.478 1.00 0.00 N ATOM 0 H ARG A 35 9.639 -6.322 -0.435 1.00 0.00 H new ATOM 0 HA ARG A 35 8.916 -4.317 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.349 -5.241 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.021 -5.690 -2.161 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.260 -7.581 -3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.991 -7.975 -2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.498 -8.285 -4.099 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.818 -6.694 -4.760 1.00 0.00 H new ATOM 0 HE ARG A 35 9.933 -9.245 -5.677 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.300 -5.726 -5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.292 -5.698 -7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.211 -9.191 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.804 -7.648 -8.172 1.00 0.00 H new ATOM 542 N LEU A 36 7.111 -7.041 -2.437 1.00 0.00 N ATOM 543 CA LEU A 36 5.881 -7.496 -3.085 1.00 0.00 C ATOM 544 C LEU A 36 4.806 -6.459 -2.935 1.00 0.00 C ATOM 545 O LEU A 36 4.194 -6.033 -3.921 1.00 0.00 O ATOM 546 CB LEU A 36 5.412 -8.849 -2.552 1.00 0.00 C ATOM 547 CG LEU A 36 6.038 -10.063 -3.238 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.503 -11.352 -2.633 1.00 0.00 C ATOM 549 CD2 LEU A 36 5.777 -10.027 -4.740 1.00 0.00 C ATOM 0 H LEU A 36 7.486 -7.648 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 36 6.097 -7.634 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.632 -8.899 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.329 -8.909 -2.657 1.00 0.00 H new ATOM 0 HG LEU A 36 7.116 -10.029 -3.078 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.960 -12.206 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.744 -11.383 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.421 -11.392 -2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.231 -10.900 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.702 -10.034 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.211 -9.121 -5.163 1.00 0.00 H new ATOM 561 N TRP A 37 4.612 -5.992 -1.724 1.00 0.00 N ATOM 562 CA TRP A 37 3.629 -4.975 -1.506 1.00 0.00 C ATOM 563 C TRP A 37 3.936 -3.781 -2.373 1.00 0.00 C ATOM 564 O TRP A 37 3.019 -3.225 -2.998 1.00 0.00 O ATOM 565 CB TRP A 37 3.616 -4.549 -0.060 1.00 0.00 C ATOM 566 CG TRP A 37 2.925 -5.515 0.822 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.888 -6.865 0.673 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.171 -5.202 1.987 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.174 -7.425 1.713 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.716 -6.416 2.526 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.844 -4.011 2.636 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.947 -6.461 3.686 1.00 0.00 C ATOM 573 CZ3 TRP A 37 1.092 -4.066 3.775 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.655 -5.278 4.289 1.00 0.00 C ATOM 0 H TRP A 37 5.116 -6.298 -0.892 1.00 0.00 H new ATOM 0 HA TRP A 37 2.650 -5.379 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.642 -4.421 0.284 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.129 -3.578 0.022 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.347 -7.415 -0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.013 -8.422 1.855 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.180 -3.062 2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.596 -7.399 4.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.833 -3.150 4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.066 -5.282 5.194 1.00 0.00 H new ATOM 585 N LEU A 38 5.246 -3.410 -2.462 1.00 0.00 N ATOM 586 CA LEU A 38 5.623 -2.288 -3.278 1.00 0.00 C ATOM 587 C LEU A 38 4.722 -2.295 -4.514 1.00 0.00 C ATOM 588 O LEU A 38 3.997 -1.330 -4.791 1.00 0.00 O ATOM 589 CB LEU A 38 7.119 -2.361 -3.639 1.00 0.00 C ATOM 590 CG LEU A 38 8.054 -2.102 -2.459 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.505 -2.073 -2.917 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.681 -0.803 -1.764 1.00 0.00 C ATOM 0 H LEU A 38 6.016 -3.876 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 38 5.488 -1.349 -2.742 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.335 -3.346 -4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.329 -1.634 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 38 7.943 -2.918 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.153 -1.887 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.764 -3.032 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.639 -1.279 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.356 -0.632 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.763 0.024 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.656 -0.868 -1.398 1.00 0.00 H new ATOM 604 N LYS A 39 4.686 -3.448 -5.204 1.00 0.00 N ATOM 605 CA LYS A 39 3.868 -3.612 -6.366 1.00 0.00 C ATOM 606 C LYS A 39 2.417 -3.137 -6.182 1.00 0.00 C ATOM 607 O LYS A 39 1.959 -2.207 -6.866 1.00 0.00 O ATOM 608 CB LYS A 39 3.933 -5.106 -6.757 1.00 0.00 C ATOM 609 CG LYS A 39 4.992 -5.463 -7.790 1.00 0.00 C ATOM 610 CD LYS A 39 6.300 -4.714 -7.572 1.00 0.00 C ATOM 611 CE LYS A 39 6.942 -4.321 -8.892 1.00 0.00 C ATOM 612 NZ LYS A 39 7.990 -5.290 -9.312 1.00 0.00 N ATOM 0 H LYS A 39 5.229 -4.275 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 39 4.254 -2.975 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.115 -5.693 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.958 -5.407 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.182 -6.536 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.612 -5.240 -8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.114 -3.820 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.988 -5.339 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.175 -4.259 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.382 -3.328 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.402 -4.985 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.735 -5.331 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.566 -6.233 -9.425 1.00 0.00 H new ATOM 626 N ASN A 40 1.696 -3.780 -5.279 1.00 0.00 N ATOM 627 CA ASN A 40 0.286 -3.480 -5.072 1.00 0.00 C ATOM 628 C ASN A 40 -0.002 -2.056 -4.649 1.00 0.00 C ATOM 629 O ASN A 40 -1.089 -1.541 -4.910 1.00 0.00 O ATOM 630 CB ASN A 40 -0.349 -4.441 -4.050 1.00 0.00 C ATOM 631 CG ASN A 40 0.627 -5.220 -3.202 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.653 -5.706 -3.678 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.287 -5.349 -1.925 1.00 0.00 N ATOM 0 H ASN A 40 2.063 -4.515 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.163 -3.616 -6.056 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.999 -3.866 -3.391 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.983 -5.147 -4.586 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.888 -5.871 -1.287 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.575 -4.926 -1.582 1.00 0.00 H new ATOM 640 N VAL A 41 0.925 -1.431 -3.966 1.00 0.00 N ATOM 641 CA VAL A 41 0.691 -0.082 -3.488 1.00 0.00 C ATOM 642 C VAL A 41 0.904 1.023 -4.503 1.00 0.00 C ATOM 643 O VAL A 41 0.404 2.113 -4.284 1.00 0.00 O ATOM 644 CB VAL A 41 1.434 0.278 -2.207 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.849 0.655 -2.528 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.708 1.428 -1.523 1.00 0.00 C ATOM 0 H VAL A 41 1.836 -1.823 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.377 -0.130 -3.273 1.00 0.00 H new ATOM 0 HB VAL A 41 1.457 -0.579 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.375 0.911 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.349 -0.185 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.853 1.513 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.231 1.694 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.683 2.290 -2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.311 1.124 -1.285 1.00 0.00 H new ATOM 656 N SER A 42 1.672 0.801 -5.576 1.00 0.00 N ATOM 657 CA SER A 42 1.932 1.907 -6.536 1.00 0.00 C ATOM 658 C SER A 42 3.343 1.774 -7.168 1.00 0.00 C ATOM 659 O SER A 42 3.462 1.164 -8.229 1.00 0.00 O ATOM 660 CB SER A 42 1.734 3.324 -5.880 1.00 0.00 C ATOM 661 OG SER A 42 2.761 4.219 -6.278 1.00 0.00 O ATOM 0 H SER A 42 2.113 -0.090 -5.806 1.00 0.00 H new ATOM 0 HA SER A 42 1.192 1.821 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.763 3.729 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.731 3.228 -4.794 1.00 0.00 H new ATOM 0 HG SER A 42 3.043 4.756 -5.509 1.00 0.00 H new ATOM 667 N ARG A 43 4.421 2.327 -6.541 1.00 0.00 N ATOM 668 CA ARG A 43 5.772 2.211 -7.102 1.00 0.00 C ATOM 669 C ARG A 43 5.824 2.542 -8.590 1.00 0.00 C ATOM 670 O ARG A 43 6.617 1.963 -9.331 1.00 0.00 O ATOM 671 CB ARG A 43 6.361 0.810 -6.843 1.00 0.00 C ATOM 672 CG ARG A 43 5.553 -0.353 -7.410 1.00 0.00 C ATOM 673 CD ARG A 43 5.651 -0.429 -8.928 1.00 0.00 C ATOM 674 NE ARG A 43 5.184 -1.711 -9.450 1.00 0.00 N ATOM 675 CZ ARG A 43 3.904 -2.075 -9.488 1.00 0.00 C ATOM 676 NH1 ARG A 43 2.961 -1.260 -9.031 1.00 0.00 N ATOM 677 NH2 ARG A 43 3.566 -3.257 -9.984 1.00 0.00 N ATOM 0 H ARG A 43 4.369 2.845 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 43 6.383 2.953 -6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.365 0.773 -7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.462 0.670 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.909 -1.287 -6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.508 -0.245 -7.119 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.063 0.376 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.686 -0.271 -9.231 1.00 0.00 H new ATOM 0 HE ARG A 43 5.880 -2.366 -9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.216 -0.349 -8.648 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.982 -1.544 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.287 -3.887 -10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.585 -3.536 -10.013 1.00 0.00 H new ATOM 784 N THR A 52 10.894 9.954 -6.088 1.00 0.00 N ATOM 785 CA THR A 52 9.669 9.263 -6.489 1.00 0.00 C ATOM 786 C THR A 52 9.077 8.469 -5.323 1.00 0.00 C ATOM 787 O THR A 52 8.869 7.261 -5.430 1.00 0.00 O ATOM 788 CB THR A 52 9.959 8.327 -7.663 1.00 0.00 C ATOM 789 OG1 THR A 52 10.770 7.240 -7.253 1.00 0.00 O ATOM 790 CG2 THR A 52 10.658 9.012 -8.818 1.00 0.00 C ATOM 0 HA THR A 52 8.940 10.013 -6.795 1.00 0.00 H new ATOM 0 HB THR A 52 8.982 7.983 -8.003 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.276 6.686 -6.613 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.833 8.291 -9.616 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.033 9.823 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.612 9.416 -8.478 1.00 0.00 H new ATOM 798 N PHE A 53 8.824 9.152 -4.204 1.00 0.00 N ATOM 799 CA PHE A 53 8.269 8.508 -3.014 1.00 0.00 C ATOM 800 C PHE A 53 9.013 7.209 -2.693 1.00 0.00 C ATOM 801 O PHE A 53 8.425 6.262 -2.178 1.00 0.00 O ATOM 802 CB PHE A 53 6.768 8.234 -3.188 1.00 0.00 C ATOM 803 CG PHE A 53 6.431 7.385 -4.382 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.672 6.019 -4.372 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.866 7.950 -5.515 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.359 5.237 -5.462 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.552 7.170 -6.612 1.00 0.00 C ATOM 808 CZ PHE A 53 5.798 5.811 -6.584 1.00 0.00 C ATOM 0 H PHE A 53 8.995 10.152 -4.098 1.00 0.00 H new ATOM 0 HA PHE A 53 8.400 9.193 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.393 7.743 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.244 9.186 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.111 5.562 -3.497 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.669 9.012 -5.541 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.553 4.175 -5.438 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.115 7.622 -7.490 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.552 5.199 -7.439 1.00 0.00 H new ATOM 818 N GLN A 54 10.313 7.188 -3.009 1.00 0.00 N ATOM 819 CA GLN A 54 11.187 6.024 -2.778 1.00 0.00 C ATOM 820 C GLN A 54 10.607 5.039 -1.756 1.00 0.00 C ATOM 821 O GLN A 54 10.129 5.448 -0.696 1.00 0.00 O ATOM 822 CB GLN A 54 12.564 6.500 -2.303 1.00 0.00 C ATOM 823 CG GLN A 54 13.669 6.293 -3.326 1.00 0.00 C ATOM 824 CD GLN A 54 15.054 6.459 -2.728 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.490 5.648 -1.912 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.751 7.514 -3.133 1.00 0.00 N ATOM 0 H GLN A 54 10.794 7.980 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 54 11.271 5.494 -3.727 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.506 7.559 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.825 5.970 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.580 5.295 -3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.542 7.004 -4.142 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.349 8.161 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.688 7.678 -2.765 1.00 0.00 H new ATOM 835 N PRO A 55 10.649 3.723 -2.050 1.00 0.00 N ATOM 836 CA PRO A 55 10.129 2.701 -1.139 1.00 0.00 C ATOM 837 C PRO A 55 10.986 2.552 0.108 1.00 0.00 C ATOM 838 O PRO A 55 10.509 2.086 1.142 1.00 0.00 O ATOM 839 CB PRO A 55 10.157 1.403 -1.950 1.00 0.00 C ATOM 840 CG PRO A 55 10.521 1.790 -3.349 1.00 0.00 C ATOM 841 CD PRO A 55 11.207 3.127 -3.271 1.00 0.00 C ATOM 0 HA PRO A 55 9.132 2.965 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.884 0.703 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.187 0.907 -1.924 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.178 1.045 -3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.632 1.849 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.290 3.020 -3.208 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.998 3.738 -4.149 1.00 0.00 H new ATOM 849 N THR A 56 12.252 2.953 0.012 1.00 0.00 N ATOM 850 CA THR A 56 13.162 2.867 1.148 1.00 0.00 C ATOM 851 C THR A 56 12.484 3.448 2.398 1.00 0.00 C ATOM 852 O THR A 56 12.542 2.845 3.470 1.00 0.00 O ATOM 853 CB THR A 56 14.455 3.629 0.852 1.00 0.00 C ATOM 854 OG1 THR A 56 14.654 3.754 -0.546 1.00 0.00 O ATOM 855 CG2 THR A 56 15.684 2.966 1.433 1.00 0.00 C ATOM 0 H THR A 56 12.668 3.338 -0.836 1.00 0.00 H new ATOM 0 HA THR A 56 13.408 1.820 1.326 1.00 0.00 H new ATOM 0 HB THR A 56 14.331 4.605 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.937 4.668 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.567 3.557 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.583 2.898 2.516 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.789 1.965 1.015 1.00 0.00 H new ATOM 863 N THR A 57 11.815 4.617 2.261 1.00 0.00 N ATOM 864 CA THR A 57 11.125 5.222 3.392 1.00 0.00 C ATOM 865 C THR A 57 10.142 4.230 4.009 1.00 0.00 C ATOM 866 O THR A 57 9.806 4.328 5.190 1.00 0.00 O ATOM 867 CB THR A 57 10.383 6.484 2.944 1.00 0.00 C ATOM 868 OG1 THR A 57 9.749 7.112 4.044 1.00 0.00 O ATOM 869 CG2 THR A 57 9.322 6.216 1.896 1.00 0.00 C ATOM 0 H THR A 57 11.747 5.142 1.389 1.00 0.00 H new ATOM 0 HA THR A 57 11.865 5.494 4.144 1.00 0.00 H new ATOM 0 HB THR A 57 11.148 7.127 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.282 7.917 3.737 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.835 7.152 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.786 5.778 1.012 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.581 5.525 2.297 1.00 0.00 H new ATOM 877 N GLY A 58 9.686 3.273 3.202 1.00 0.00 N ATOM 878 CA GLY A 58 8.751 2.280 3.692 1.00 0.00 C ATOM 879 C GLY A 58 7.314 2.530 3.197 1.00 0.00 C ATOM 880 O GLY A 58 6.619 3.340 3.810 1.00 0.00 O ATOM 0 H GLY A 58 9.948 3.170 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.076 1.290 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.762 2.281 4.782 1.00 0.00 H new ATOM 884 N HIS A 59 6.825 1.874 2.112 1.00 0.00 N ATOM 885 CA HIS A 59 5.459 2.138 1.677 1.00 0.00 C ATOM 886 C HIS A 59 4.480 1.363 2.541 1.00 0.00 C ATOM 887 O HIS A 59 4.741 0.239 2.972 1.00 0.00 O ATOM 888 CB HIS A 59 5.241 1.799 0.193 1.00 0.00 C ATOM 889 CG HIS A 59 5.120 3.005 -0.685 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.071 3.998 -0.690 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.175 3.377 -1.598 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.732 4.927 -1.556 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.588 4.579 -2.122 1.00 0.00 N ATOM 0 H HIS A 59 7.340 1.192 1.555 1.00 0.00 H new ATOM 0 HA HIS A 59 5.282 3.207 1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.072 1.187 -0.157 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.338 1.197 0.095 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.279 2.833 -1.858 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.294 5.824 -1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.092 5.116 -2.833 1.00 0.00 H new ATOM 902 N ARG A 60 3.367 2.008 2.805 1.00 0.00 N ATOM 903 CA ARG A 60 2.307 1.474 3.638 1.00 0.00 C ATOM 904 C ARG A 60 1.081 1.206 2.753 1.00 0.00 C ATOM 905 O ARG A 60 1.052 1.678 1.617 1.00 0.00 O ATOM 906 CB ARG A 60 1.989 2.531 4.700 1.00 0.00 C ATOM 907 CG ARG A 60 1.440 3.817 4.108 1.00 0.00 C ATOM 908 CD ARG A 60 1.957 5.053 4.837 1.00 0.00 C ATOM 909 NE ARG A 60 2.153 4.822 6.269 1.00 0.00 N ATOM 910 CZ ARG A 60 3.327 4.525 6.824 1.00 0.00 C ATOM 911 NH1 ARG A 60 4.414 4.393 6.072 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.413 4.357 8.138 1.00 0.00 N ATOM 0 H ARG A 60 3.166 2.939 2.440 1.00 0.00 H new ATOM 0 HA ARG A 60 2.597 0.541 4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.265 2.124 5.405 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.894 2.754 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.715 3.877 3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.351 3.800 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.901 5.365 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.253 5.873 4.698 1.00 0.00 H new ATOM 0 HE ARG A 60 1.340 4.893 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.354 4.519 5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.309 4.165 6.505 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.581 4.455 8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.311 4.130 8.565 1.00 0.00 H new ATOM 926 N LEU A 61 0.052 0.496 3.243 1.00 0.00 N ATOM 927 CA LEU A 61 -1.140 0.273 2.402 1.00 0.00 C ATOM 928 C LEU A 61 -2.333 0.969 3.082 1.00 0.00 C ATOM 929 O LEU A 61 -2.239 1.295 4.262 1.00 0.00 O ATOM 930 CB LEU A 61 -1.446 -1.225 2.119 1.00 0.00 C ATOM 931 CG LEU A 61 -1.434 -1.630 0.622 1.00 0.00 C ATOM 932 CD1 LEU A 61 -0.643 -0.637 -0.160 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.830 -3.009 0.362 1.00 0.00 C ATOM 0 H LEU A 61 0.016 0.082 4.174 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.946 0.700 1.418 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.715 -1.835 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.424 -1.465 2.536 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.479 -1.658 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.636 -0.924 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.094 0.350 -0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.380 -0.610 0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.856 -3.222 -0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.203 -3.025 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.405 -3.765 0.897 1.00 0.00 H new ATOM 945 N CYS A 62 -3.404 1.318 2.342 1.00 0.00 N ATOM 946 CA CYS A 62 -4.477 2.099 2.944 1.00 0.00 C ATOM 947 C CYS A 62 -5.837 1.371 3.132 1.00 0.00 C ATOM 948 O CYS A 62 -6.005 0.199 2.799 1.00 0.00 O ATOM 949 CB CYS A 62 -4.529 3.439 2.186 1.00 0.00 C ATOM 950 SG CYS A 62 -5.996 3.788 1.207 1.00 0.00 S ATOM 0 H CYS A 62 -3.539 1.077 1.360 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.246 2.279 3.994 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.413 4.241 2.915 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.665 3.483 1.523 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.663 4.478 0.157 1.00 0.00 H new ATOM 955 N SER A 63 -6.753 2.108 3.772 1.00 0.00 N ATOM 956 CA SER A 63 -8.095 1.685 4.183 1.00 0.00 C ATOM 957 C SER A 63 -8.620 0.385 3.614 1.00 0.00 C ATOM 958 O SER A 63 -8.888 -0.565 4.352 1.00 0.00 O ATOM 959 CB SER A 63 -9.119 2.797 3.881 1.00 0.00 C ATOM 960 OG SER A 63 -9.606 3.377 5.078 1.00 0.00 O ATOM 0 H SER A 63 -6.564 3.076 4.032 1.00 0.00 H new ATOM 0 HA SER A 63 -7.975 1.496 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.655 3.566 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.950 2.385 3.308 1.00 0.00 H new ATOM 0 HG SER A 63 -10.565 3.557 4.988 1.00 0.00 H new ATOM 966 N VAL A 64 -8.891 0.395 2.340 1.00 0.00 N ATOM 967 CA VAL A 64 -9.548 -0.762 1.715 1.00 0.00 C ATOM 968 C VAL A 64 -8.632 -1.780 1.038 1.00 0.00 C ATOM 969 O VAL A 64 -9.118 -2.806 0.558 1.00 0.00 O ATOM 970 CB VAL A 64 -10.644 -0.309 0.730 1.00 0.00 C ATOM 971 CG1 VAL A 64 -11.941 -0.026 1.475 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.207 0.919 -0.036 1.00 0.00 C ATOM 0 H VAL A 64 -8.680 1.167 1.707 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.980 -1.296 2.561 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.814 -1.116 0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.705 0.293 0.766 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.273 -0.931 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.775 0.763 2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.997 1.219 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.007 1.731 0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.302 0.693 -0.599 1.00 0.00 H new ATOM 982 N HIS A 65 -7.328 -1.548 1.005 1.00 0.00 N ATOM 983 CA HIS A 65 -6.431 -2.527 0.386 1.00 0.00 C ATOM 984 C HIS A 65 -6.452 -3.855 1.166 1.00 0.00 C ATOM 985 O HIS A 65 -5.976 -4.873 0.672 1.00 0.00 O ATOM 986 CB HIS A 65 -4.992 -1.983 0.290 1.00 0.00 C ATOM 987 CG HIS A 65 -4.909 -0.662 -0.406 1.00 0.00 C ATOM 988 ND1 HIS A 65 -5.420 0.508 -0.063 1.00 0.00 N flip ATOM 989 CD2 HIS A 65 -4.295 -0.453 -1.630 1.00 0.00 C flip ATOM 990 CE1 HIS A 65 -5.130 1.384 -1.058 1.00 0.00 C flip ATOM 991 NE2 HIS A 65 -4.459 0.791 -1.993 1.00 0.00 N flip ATOM 0 H HIS A 65 -6.873 -0.718 1.385 1.00 0.00 H new ATOM 0 HA HIS A 65 -6.790 -2.713 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -4.580 -1.884 1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.371 -2.706 -0.240 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.763 -1.203 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -5.417 2.425 -1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.120 1.217 -2.856 1.00 0.00 H new ATOM 999 N PHE A 66 -7.006 -3.838 2.389 1.00 0.00 N ATOM 1000 CA PHE A 66 -7.068 -5.037 3.228 1.00 0.00 C ATOM 1001 C PHE A 66 -8.515 -5.582 3.330 1.00 0.00 C ATOM 1002 O PHE A 66 -9.458 -4.865 2.994 1.00 0.00 O ATOM 1003 CB PHE A 66 -6.589 -4.679 4.642 1.00 0.00 C ATOM 1004 CG PHE A 66 -5.162 -4.250 4.727 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -4.172 -5.187 4.938 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -4.810 -2.912 4.627 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -2.856 -4.810 5.050 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -3.488 -2.530 4.731 1.00 0.00 C ATOM 1009 CZ PHE A 66 -2.511 -3.484 4.947 1.00 0.00 C ATOM 0 H PHE A 66 -7.416 -3.007 2.815 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.436 -5.801 2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.218 -3.879 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.733 -5.544 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.435 -6.231 5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.574 -2.166 4.467 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.093 -5.555 5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.217 -1.488 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.476 -3.187 5.035 1.00 0.00 H new ATOM 1019 N GLN A 67 -8.711 -6.829 3.833 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.046 -7.378 3.999 1.00 0.00 C ATOM 1021 C GLN A 67 -10.424 -7.346 5.518 1.00 0.00 C ATOM 1022 O GLN A 67 -9.892 -8.174 6.259 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.042 -8.838 3.546 1.00 0.00 C ATOM 1024 CG GLN A 67 -11.430 -9.404 3.294 1.00 0.00 C ATOM 1025 CD GLN A 67 -11.558 -10.044 1.925 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -11.909 -11.218 1.805 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -11.274 -9.273 0.881 1.00 0.00 N ATOM 0 H GLN A 67 -7.958 -7.453 4.123 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.757 -6.795 3.414 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.453 -8.924 2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.545 -9.443 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.661 -10.144 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.167 -8.606 3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -10.987 -8.305 1.025 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.343 -9.649 -0.065 1.00 0.00 H new ATOM 1036 N GLY A 68 -11.310 -6.444 6.025 1.00 0.00 N ATOM 1037 CA GLY A 68 -11.618 -6.471 7.451 1.00 0.00 C ATOM 1038 C GLY A 68 -10.448 -6.035 8.340 1.00 0.00 C ATOM 1039 O GLY A 68 -10.501 -4.955 8.928 1.00 0.00 O ATOM 0 H GLY A 68 -11.794 -5.728 5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -12.471 -5.820 7.642 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.919 -7.481 7.730 1.00 0.00 H new ATOM 1043 N GLY A 69 -9.390 -6.859 8.454 1.00 0.00 N ATOM 1044 CA GLY A 69 -8.257 -6.489 9.292 1.00 0.00 C ATOM 1045 C GLY A 69 -7.289 -7.639 9.513 1.00 0.00 C ATOM 1046 O GLY A 69 -7.659 -8.803 9.361 1.00 0.00 O ATOM 0 H GLY A 69 -9.304 -7.761 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.726 -5.656 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.624 -6.138 10.257 1.00 0.00 H new ATOM 1050 N ARG A 70 -6.039 -7.315 9.867 1.00 0.00 N ATOM 1051 CA ARG A 70 -5.013 -8.336 10.099 1.00 0.00 C ATOM 1052 C ARG A 70 -5.045 -9.380 8.984 1.00 0.00 C ATOM 1053 O ARG A 70 -5.072 -10.583 9.236 1.00 0.00 O ATOM 1054 CB ARG A 70 -5.228 -9.009 11.456 1.00 0.00 C ATOM 1055 CG ARG A 70 -3.946 -9.532 12.087 1.00 0.00 C ATOM 1056 CD ARG A 70 -3.965 -9.380 13.599 1.00 0.00 C ATOM 1057 NE ARG A 70 -4.117 -7.986 14.011 1.00 0.00 N ATOM 1058 CZ ARG A 70 -3.121 -7.104 14.022 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -1.901 -7.463 13.641 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -3.346 -5.857 14.416 1.00 0.00 N ATOM 0 H ARG A 70 -5.716 -6.357 9.998 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.036 -7.852 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.693 -8.296 12.136 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.927 -9.836 11.335 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.814 -10.583 11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.092 -8.993 11.677 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.783 -9.970 14.012 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.041 -9.781 14.015 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.041 -7.671 14.307 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.723 -8.420 13.337 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.142 -6.782 13.652 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.281 -5.576 14.710 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.583 -5.180 14.425 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.079 -8.891 7.748 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.151 -9.743 6.566 1.00 0.00 C ATOM 1076 C LYS A 71 -4.241 -10.973 6.665 1.00 0.00 C ATOM 1077 O LYS A 71 -4.635 -12.078 6.294 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.828 -8.895 5.313 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.435 -9.109 4.690 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.361 -8.153 5.223 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.685 -7.559 6.589 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.598 -6.669 7.084 1.00 0.00 N ATOM 0 H LYS A 71 -5.057 -7.893 7.538 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.165 -10.136 6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.580 -9.106 4.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.928 -7.842 5.576 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.118 -10.135 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.509 -8.990 3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.413 -8.686 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.224 -7.342 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.615 -6.995 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.848 -8.365 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.486 -6.796 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.707 -6.911 6.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.842 -5.678 6.882 1.00 0.00 H new ATOM 1096 N THR A 72 -3.028 -10.750 7.154 1.00 0.00 N ATOM 1097 CA THR A 72 -2.004 -11.792 7.316 1.00 0.00 C ATOM 1098 C THR A 72 -2.562 -13.217 7.242 1.00 0.00 C ATOM 1099 O THR A 72 -2.129 -14.010 6.407 1.00 0.00 O ATOM 1100 CB THR A 72 -1.274 -11.591 8.643 1.00 0.00 C ATOM 1101 OG1 THR A 72 -2.190 -11.592 9.726 1.00 0.00 O ATOM 1102 CG2 THR A 72 -0.493 -10.297 8.700 1.00 0.00 C ATOM 0 H THR A 72 -2.716 -9.827 7.456 1.00 0.00 H new ATOM 0 HA THR A 72 -1.316 -11.686 6.478 1.00 0.00 H new ATOM 0 HB THR A 72 -0.575 -12.424 8.721 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.046 -11.217 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 72 0.002 -10.213 9.667 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.255 -10.288 7.907 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.173 -9.456 8.567 1.00 0.00 H new ATOM 1110 N TYR A 73 -3.507 -13.544 8.117 1.00 0.00 N ATOM 1111 CA TYR A 73 -4.089 -14.886 8.134 1.00 0.00 C ATOM 1112 C TYR A 73 -5.187 -15.043 7.078 1.00 0.00 C ATOM 1113 O TYR A 73 -6.291 -15.493 7.385 1.00 0.00 O ATOM 1114 CB TYR A 73 -4.646 -15.220 9.524 1.00 0.00 C ATOM 1115 CG TYR A 73 -5.435 -14.102 10.178 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -6.330 -13.327 9.451 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -5.287 -13.835 11.533 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -7.055 -12.318 10.057 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -6.007 -12.827 12.145 1.00 0.00 C ATOM 1120 CZ TYR A 73 -6.890 -12.072 11.403 1.00 0.00 C ATOM 1121 OH TYR A 73 -7.612 -11.070 12.010 1.00 0.00 O ATOM 0 H TYR A 73 -3.885 -12.907 8.818 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.289 -15.586 7.894 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.287 -16.098 9.442 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.816 -15.491 10.177 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.461 -13.516 8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.597 -14.425 12.118 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.748 -11.725 9.478 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.879 -12.632 13.199 1.00 0.00 H new ATOM 0 HH TYR A 73 -7.109 -10.723 12.776 1.00 0.00 H new ATOM 1131 N THR A 74 -4.881 -14.671 5.834 1.00 0.00 N ATOM 1132 CA THR A 74 -5.849 -14.778 4.743 1.00 0.00 C ATOM 1133 C THR A 74 -5.308 -14.147 3.469 1.00 0.00 C ATOM 1134 O THR A 74 -5.299 -14.766 2.404 1.00 0.00 O ATOM 1135 CB THR A 74 -7.167 -14.084 5.111 1.00 0.00 C ATOM 1136 OG1 THR A 74 -7.007 -13.270 6.258 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.299 -15.051 5.387 1.00 0.00 C ATOM 0 H THR A 74 -3.974 -14.294 5.558 1.00 0.00 H new ATOM 0 HA THR A 74 -6.028 -15.840 4.575 1.00 0.00 H new ATOM 0 HB THR A 74 -7.427 -13.486 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.339 -12.576 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.200 -14.493 5.641 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.485 -15.656 4.500 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.028 -15.701 6.219 1.00 0.00 H new ATOM 1145 N VAL A 75 -4.890 -12.896 3.589 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.379 -12.143 2.455 1.00 0.00 C ATOM 1147 C VAL A 75 -2.867 -11.939 2.551 1.00 0.00 C ATOM 1148 O VAL A 75 -2.373 -11.429 3.552 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.042 -10.749 2.376 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.122 -10.267 0.936 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -6.432 -10.751 2.999 1.00 0.00 C ATOM 0 H VAL A 75 -4.895 -12.378 4.468 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.614 -12.725 1.564 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.415 -10.063 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.592 -9.284 0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.117 -10.201 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.714 -10.970 0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.866 -9.754 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.066 -11.463 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.360 -11.038 4.048 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.129 -12.319 1.510 1.00 0.00 N ATOM 1162 CA ARG A 76 -0.687 -12.136 1.524 1.00 0.00 C ATOM 1163 C ARG A 76 -0.328 -10.683 1.209 1.00 0.00 C ATOM 1164 O ARG A 76 0.579 -10.115 1.819 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.008 -13.082 0.530 1.00 0.00 C ATOM 1166 CG ARG A 76 1.511 -13.053 0.600 1.00 0.00 C ATOM 1167 CD ARG A 76 2.137 -13.165 -0.782 1.00 0.00 C ATOM 1168 NE ARG A 76 3.266 -14.093 -0.799 1.00 0.00 N ATOM 1169 CZ ARG A 76 4.009 -14.333 -1.877 1.00 0.00 C ATOM 1170 NH1 ARG A 76 3.746 -13.719 -3.023 1.00 0.00 N ATOM 1171 NH2 ARG A 76 5.018 -15.191 -1.809 1.00 0.00 N ATOM 0 H ARG A 76 -2.501 -12.748 0.662 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.324 -12.374 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.352 -14.099 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.322 -12.820 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.836 -12.127 1.074 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.863 -13.872 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.383 -13.498 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.472 -12.181 -1.109 1.00 0.00 H new ATOM 0 HE ARG A 76 3.498 -14.585 0.064 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.971 -13.059 -3.082 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.319 -13.907 -3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.225 -15.667 -0.931 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.587 -15.375 -2.635 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.049 -10.084 0.263 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.807 -8.696 -0.118 1.00 0.00 C ATOM 1187 C VAL A 77 -2.133 -7.943 -0.284 1.00 0.00 C ATOM 1188 O VAL A 77 -3.012 -8.388 -1.023 1.00 0.00 O ATOM 1189 CB VAL A 77 0.026 -8.649 -1.432 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.080 -9.747 -1.431 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.861 -8.795 -2.657 1.00 0.00 C ATOM 0 H VAL A 77 -1.804 -10.538 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.241 -8.204 0.673 1.00 0.00 H new ATOM 0 HB VAL A 77 0.515 -7.676 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.654 -9.701 -2.356 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.749 -9.608 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.593 -10.719 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.247 -8.758 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.386 -9.749 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.587 -7.982 -2.679 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.316 -6.800 0.421 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.565 -6.017 0.353 1.00 0.00 C ATOM 1203 C PRO A 78 -3.959 -5.488 -0.986 1.00 0.00 C ATOM 1204 O PRO A 78 -4.129 -4.276 -1.119 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.280 -4.819 1.253 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.291 -5.331 2.220 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.370 -6.176 1.390 1.00 0.00 C ATOM 0 HA PRO A 78 -4.391 -6.671 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.885 -3.977 0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.184 -4.470 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.754 -4.518 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.768 -5.916 3.006 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.607 -5.579 0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.848 -6.922 1.990 1.00 0.00 H new ATOM 1215 N THR A 79 -4.243 -6.323 -1.967 1.00 0.00 N ATOM 1216 CA THR A 79 -4.756 -5.700 -3.143 1.00 0.00 C ATOM 1217 C THR A 79 -6.134 -6.237 -3.448 1.00 0.00 C ATOM 1218 O THR A 79 -6.311 -7.342 -3.959 1.00 0.00 O ATOM 1219 CB THR A 79 -3.810 -5.942 -4.328 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.694 -6.710 -3.925 1.00 0.00 O ATOM 1221 CG2 THR A 79 -3.279 -4.666 -4.940 1.00 0.00 C ATOM 0 H THR A 79 -4.137 -7.337 -1.973 1.00 0.00 H new ATOM 0 HA THR A 79 -4.828 -4.626 -2.974 1.00 0.00 H new ATOM 0 HB THR A 79 -4.409 -6.466 -5.073 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.188 -6.991 -4.716 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.617 -4.909 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.111 -4.063 -5.303 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.725 -4.105 -4.188 1.00 0.00 H new ATOM 1229 N ILE A 80 -7.096 -5.357 -3.214 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.493 -5.606 -3.539 1.00 0.00 C ATOM 1231 C ILE A 80 -8.992 -4.474 -4.426 1.00 0.00 C ATOM 1232 O ILE A 80 -9.415 -3.460 -3.891 1.00 0.00 O ATOM 1233 CB ILE A 80 -9.345 -5.675 -2.249 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.174 -7.041 -1.578 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.815 -5.379 -2.533 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -10.207 -8.063 -1.997 1.00 0.00 C ATOM 0 H ILE A 80 -6.929 -4.444 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.582 -6.560 -4.059 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.990 -4.905 -1.564 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.181 -7.427 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.222 -6.912 -0.497 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.384 -5.436 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.910 -4.379 -2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.203 -6.110 -3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.019 -9.004 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.202 -7.700 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.145 -8.223 -3.073 1.00 0.00 H new ATOM 1248 N PHE A 81 -9.003 -4.623 -5.745 1.00 0.00 N ATOM 1249 CA PHE A 81 -9.492 -3.544 -6.615 1.00 0.00 C ATOM 1250 C PHE A 81 -9.650 -4.043 -8.049 1.00 0.00 C ATOM 1251 O PHE A 81 -10.786 -4.399 -8.430 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.553 -2.295 -6.603 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.644 -2.155 -5.394 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -8.158 -1.824 -4.148 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -6.281 -2.403 -5.498 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -7.344 -1.772 -3.030 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -5.456 -2.322 -4.386 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.993 -2.018 -3.149 1.00 0.00 C ATOM 1259 OXT PHE A 81 -8.638 -4.073 -8.780 1.00 0.00 O ATOM 0 H PHE A 81 -8.687 -5.460 -6.235 1.00 0.00 H new ATOM 0 HA PHE A 81 -10.460 -3.239 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.932 -2.324 -7.498 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.171 -1.400 -6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -9.211 -1.603 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.858 -2.662 -6.457 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -7.767 -1.539 -2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.395 -2.496 -4.486 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.356 -1.973 -2.278 1.00 0.00 H new