USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 820 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 72 THR OG1 : rot 119:sc= -2.15! USER MOD Set 1.2: A 89 SER OG : rot 62:sc= 0.763 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 131:sc= -0.678 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0631 USER MOD Single : A 51 THR OG1 : rot 164:sc= -0.952 USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= -0.0178 (180deg=-0.418) USER MOD Single : A 66 SER OG : rot 88:sc= -0.0349 USER MOD Single : A 67 SER OG : rot -46:sc= 0.0028 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.1) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.4!) USER MOD Single : A 98 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0024) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 15.926 -4.120 0.550 1.00 0.00 N ATOM 44 CA GLU A 4 14.448 -4.035 0.730 1.00 0.00 C ATOM 45 C GLU A 4 13.961 -2.650 0.297 1.00 0.00 C ATOM 46 O GLU A 4 14.686 -1.677 0.363 1.00 0.00 O ATOM 47 CB GLU A 4 14.101 -4.262 2.202 1.00 0.00 C ATOM 48 CG GLU A 4 15.026 -3.417 3.080 1.00 0.00 C ATOM 49 CD GLU A 4 15.679 -4.305 4.143 1.00 0.00 C ATOM 50 OE1 GLU A 4 15.638 -5.513 3.986 1.00 0.00 O ATOM 51 OE2 GLU A 4 16.209 -3.758 5.096 1.00 0.00 O ATOM 0 HA GLU A 4 13.962 -4.797 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.061 -3.994 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.207 -5.317 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.793 -2.943 2.467 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.460 -2.617 3.558 1.00 0.00 H new ATOM 58 N ILE A 5 12.737 -2.552 -0.147 1.00 0.00 N ATOM 59 CA ILE A 5 12.206 -1.230 -0.583 1.00 0.00 C ATOM 60 C ILE A 5 11.073 -0.798 0.350 1.00 0.00 C ATOM 61 O ILE A 5 10.512 -1.599 1.073 1.00 0.00 O ATOM 62 CB ILE A 5 11.668 -1.340 -2.011 1.00 0.00 C ATOM 63 CG1 ILE A 5 12.772 -1.866 -2.933 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.217 0.038 -2.495 1.00 0.00 C ATOM 65 CD1 ILE A 5 12.155 -2.324 -4.256 1.00 0.00 C ATOM 0 H ILE A 5 12.083 -3.330 -0.226 1.00 0.00 H new ATOM 0 HA ILE A 5 13.008 -0.492 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 5 10.821 -2.026 -2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.511 -1.086 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.294 -2.695 -2.456 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.834 -0.041 -3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.432 0.415 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 5 12.064 0.724 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.940 -2.699 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.432 -3.117 -4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.653 -1.483 -4.734 1.00 0.00 H new ATOM 77 N ARG A 6 10.730 0.461 0.339 1.00 0.00 N ATOM 78 CA ARG A 6 9.631 0.943 1.223 1.00 0.00 C ATOM 79 C ARG A 6 8.312 0.921 0.451 1.00 0.00 C ATOM 80 O ARG A 6 8.061 1.756 -0.396 1.00 0.00 O ATOM 81 CB ARG A 6 9.931 2.375 1.674 1.00 0.00 C ATOM 82 CG ARG A 6 11.410 2.495 2.046 1.00 0.00 C ATOM 83 CD ARG A 6 11.546 3.297 3.342 1.00 0.00 C ATOM 84 NE ARG A 6 12.404 2.548 4.303 1.00 0.00 N ATOM 85 CZ ARG A 6 13.462 1.913 3.878 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.254 2.476 3.007 1.00 0.00 N ATOM 87 NH2 ARG A 6 13.727 0.717 4.325 1.00 0.00 N ATOM 0 H ARG A 6 11.163 1.177 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 6 9.555 0.294 2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 6 9.688 3.077 0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.308 2.636 2.529 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.846 1.504 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.960 2.986 1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 6 11.982 4.274 3.133 1.00 0.00 H new ATOM 0 HD3 ARG A 6 10.563 3.474 3.778 1.00 0.00 H new ATOM 0 HE ARG A 6 12.164 2.532 5.294 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.046 3.412 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.081 1.980 2.674 1.00 0.00 H new ATOM 0 HH21 ARG A 6 13.108 0.278 5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 6 14.554 0.220 3.993 1.00 0.00 H new ATOM 101 N LEU A 7 7.464 -0.031 0.733 1.00 0.00 N ATOM 102 CA LEU A 7 6.162 -0.104 0.010 1.00 0.00 C ATOM 103 C LEU A 7 5.017 0.199 0.978 1.00 0.00 C ATOM 104 O LEU A 7 5.199 0.243 2.179 1.00 0.00 O ATOM 105 CB LEU A 7 5.983 -1.509 -0.569 1.00 0.00 C ATOM 106 CG LEU A 7 6.826 -1.650 -1.836 1.00 0.00 C ATOM 107 CD1 LEU A 7 8.305 -1.724 -1.459 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.425 -2.930 -2.574 1.00 0.00 C ATOM 0 H LEU A 7 7.616 -0.759 1.431 1.00 0.00 H new ATOM 0 HA LEU A 7 6.154 0.629 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.283 -2.257 0.165 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.932 -1.689 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 7 6.658 -0.788 -2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.906 -1.825 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.592 -0.814 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.473 -2.586 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.025 -3.032 -3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.594 -3.791 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.370 -2.880 -2.843 1.00 0.00 H new ATOM 120 N TYR A 8 3.836 0.408 0.464 1.00 0.00 N ATOM 121 CA TYR A 8 2.674 0.707 1.349 1.00 0.00 C ATOM 122 C TYR A 8 1.386 0.257 0.657 1.00 0.00 C ATOM 123 O TYR A 8 1.237 0.386 -0.540 1.00 0.00 O ATOM 124 CB TYR A 8 2.611 2.212 1.617 1.00 0.00 C ATOM 125 CG TYR A 8 1.629 2.486 2.731 1.00 0.00 C ATOM 126 CD1 TYR A 8 1.814 1.900 3.991 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.531 3.328 2.505 1.00 0.00 C ATOM 128 CE1 TYR A 8 0.903 2.157 5.024 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.379 3.584 3.539 1.00 0.00 C ATOM 130 CZ TYR A 8 -0.194 2.999 4.798 1.00 0.00 C ATOM 131 OH TYR A 8 -1.090 3.253 5.815 1.00 0.00 O ATOM 0 H TYR A 8 3.625 0.385 -0.534 1.00 0.00 H new ATOM 0 HA TYR A 8 2.787 0.176 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.598 2.585 1.889 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.308 2.740 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.659 1.250 4.165 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.387 3.779 1.534 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.046 1.706 5.995 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.224 4.233 3.365 1.00 0.00 H new ATOM 0 HH TYR A 8 -1.790 3.857 5.491 1.00 0.00 H new ATOM 141 N ILE A 9 0.454 -0.273 1.400 1.00 0.00 N ATOM 142 CA ILE A 9 -0.818 -0.734 0.776 1.00 0.00 C ATOM 143 C ILE A 9 -2.007 -0.179 1.562 1.00 0.00 C ATOM 144 O ILE A 9 -1.921 0.066 2.749 1.00 0.00 O ATOM 145 CB ILE A 9 -0.866 -2.262 0.789 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.496 -2.816 0.369 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.937 -2.748 -0.190 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.587 -4.294 0.753 1.00 0.00 C ATOM 0 H ILE A 9 0.518 -0.407 2.409 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.867 -0.376 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.108 -2.610 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.632 -2.700 -0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.294 -2.254 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.971 -3.837 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.908 -2.352 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.696 -2.401 -1.195 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.558 -4.689 0.453 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.470 -4.397 1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.202 -4.850 0.248 1.00 0.00 H new ATOM 160 N THR A 10 -3.118 0.022 0.908 1.00 0.00 N ATOM 161 CA THR A 10 -4.315 0.561 1.615 1.00 0.00 C ATOM 162 C THR A 10 -5.030 -0.576 2.348 1.00 0.00 C ATOM 163 O THR A 10 -4.891 -1.733 2.005 1.00 0.00 O ATOM 164 CB THR A 10 -5.269 1.191 0.597 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.606 1.321 -0.653 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.707 2.570 1.092 1.00 0.00 C ATOM 0 H THR A 10 -3.249 -0.164 -0.086 1.00 0.00 H new ATOM 0 HA THR A 10 -4.001 1.317 2.335 1.00 0.00 H new ATOM 0 HB THR A 10 -6.147 0.556 0.478 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.175 0.960 -1.364 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.386 3.018 0.367 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.216 2.468 2.051 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.832 3.208 1.212 1.00 0.00 H new ATOM 174 N GLU A 11 -5.797 -0.256 3.353 1.00 0.00 N ATOM 175 CA GLU A 11 -6.522 -1.316 4.106 1.00 0.00 C ATOM 176 C GLU A 11 -7.847 -1.622 3.406 1.00 0.00 C ATOM 177 O GLU A 11 -8.569 -0.730 3.008 1.00 0.00 O ATOM 178 CB GLU A 11 -6.798 -0.831 5.531 1.00 0.00 C ATOM 179 CG GLU A 11 -5.702 -1.344 6.468 1.00 0.00 C ATOM 180 CD GLU A 11 -6.077 -1.025 7.915 1.00 0.00 C ATOM 181 OE1 GLU A 11 -7.213 -1.278 8.282 1.00 0.00 O ATOM 182 OE2 GLU A 11 -5.223 -0.532 8.633 1.00 0.00 O ATOM 0 H GLU A 11 -5.953 0.696 3.685 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.912 -2.219 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.831 0.258 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.772 -1.187 5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.576 -2.419 6.343 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.748 -0.880 6.218 1.00 0.00 H new ATOM 189 N GLY A 12 -8.173 -2.877 3.251 1.00 0.00 N ATOM 190 CA GLY A 12 -9.451 -3.236 2.575 1.00 0.00 C ATOM 191 C GLY A 12 -10.137 -4.368 3.343 1.00 0.00 C ATOM 192 O GLY A 12 -9.614 -4.876 4.316 1.00 0.00 O ATOM 0 H GLY A 12 -7.610 -3.668 3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.106 -2.366 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.257 -3.545 1.548 1.00 0.00 H new ATOM 196 N GLU A 13 -11.303 -4.765 2.915 1.00 0.00 N ATOM 197 CA GLU A 13 -12.022 -5.863 3.622 1.00 0.00 C ATOM 198 C GLU A 13 -12.345 -6.987 2.633 1.00 0.00 C ATOM 199 O GLU A 13 -12.723 -8.075 3.020 1.00 0.00 O ATOM 200 CB GLU A 13 -13.322 -5.319 4.219 1.00 0.00 C ATOM 201 CG GLU A 13 -13.075 -4.876 5.662 1.00 0.00 C ATOM 202 CD GLU A 13 -12.987 -6.107 6.567 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.075 -6.894 6.374 1.00 0.00 O ATOM 204 OE2 GLU A 13 -13.832 -6.240 7.437 1.00 0.00 O ATOM 0 H GLU A 13 -11.789 -4.377 2.107 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.390 -6.254 4.420 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.683 -4.479 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.096 -6.085 4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.152 -4.300 5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.881 -4.223 5.996 1.00 0.00 H new ATOM 211 N VAL A 14 -12.200 -6.735 1.361 1.00 0.00 N ATOM 212 CA VAL A 14 -12.501 -7.792 0.354 1.00 0.00 C ATOM 213 C VAL A 14 -11.471 -8.917 0.471 1.00 0.00 C ATOM 214 O VAL A 14 -10.443 -8.767 1.101 1.00 0.00 O ATOM 215 CB VAL A 14 -12.443 -7.190 -1.050 1.00 0.00 C ATOM 216 CG1 VAL A 14 -13.448 -6.042 -1.156 1.00 0.00 C ATOM 217 CG2 VAL A 14 -11.032 -6.658 -1.318 1.00 0.00 C ATOM 0 H VAL A 14 -11.887 -5.844 0.976 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.498 -8.193 0.536 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.689 -7.957 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.406 -5.613 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -14.453 -6.419 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.202 -5.274 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.989 -6.228 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.787 -5.891 -0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.315 -7.475 -1.243 1.00 0.00 H new ATOM 227 N GLU A 15 -11.738 -10.043 -0.132 1.00 0.00 N ATOM 228 CA GLU A 15 -10.772 -11.175 -0.055 1.00 0.00 C ATOM 229 C GLU A 15 -9.627 -10.939 -1.041 1.00 0.00 C ATOM 230 O GLU A 15 -8.560 -11.505 -0.915 1.00 0.00 O ATOM 231 CB GLU A 15 -11.488 -12.481 -0.407 1.00 0.00 C ATOM 232 CG GLU A 15 -11.872 -12.472 -1.888 1.00 0.00 C ATOM 233 CD GLU A 15 -12.905 -13.567 -2.154 1.00 0.00 C ATOM 234 OE1 GLU A 15 -14.057 -13.366 -1.805 1.00 0.00 O ATOM 235 OE2 GLU A 15 -12.529 -14.589 -2.704 1.00 0.00 O ATOM 0 H GLU A 15 -12.582 -10.228 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.371 -11.241 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.840 -13.332 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.379 -12.597 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.279 -11.499 -2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.988 -12.634 -2.505 1.00 0.00 H new ATOM 242 N ASP A 16 -9.838 -10.106 -2.023 1.00 0.00 N ATOM 243 CA ASP A 16 -8.760 -9.834 -3.015 1.00 0.00 C ATOM 244 C ASP A 16 -7.560 -9.207 -2.301 1.00 0.00 C ATOM 245 O ASP A 16 -6.423 -9.420 -2.674 1.00 0.00 O ATOM 246 CB ASP A 16 -9.279 -8.872 -4.084 1.00 0.00 C ATOM 247 CG ASP A 16 -10.207 -9.622 -5.041 1.00 0.00 C ATOM 248 OD1 ASP A 16 -9.820 -10.684 -5.500 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.290 -9.122 -5.298 1.00 0.00 O ATOM 0 H ASP A 16 -10.711 -9.602 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.456 -10.768 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.814 -8.046 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.444 -8.440 -4.635 1.00 0.00 H new ATOM 254 N TYR A 17 -7.804 -8.438 -1.276 1.00 0.00 N ATOM 255 CA TYR A 17 -6.677 -7.801 -0.539 1.00 0.00 C ATOM 256 C TYR A 17 -5.781 -8.891 0.052 1.00 0.00 C ATOM 257 O TYR A 17 -4.569 -8.825 -0.028 1.00 0.00 O ATOM 258 CB TYR A 17 -7.235 -6.927 0.587 1.00 0.00 C ATOM 259 CG TYR A 17 -6.100 -6.289 1.352 1.00 0.00 C ATOM 260 CD1 TYR A 17 -4.863 -6.071 0.728 1.00 0.00 C ATOM 261 CD2 TYR A 17 -6.284 -5.915 2.690 1.00 0.00 C ATOM 262 CE1 TYR A 17 -3.813 -5.477 1.442 1.00 0.00 C ATOM 263 CE2 TYR A 17 -5.233 -5.322 3.403 1.00 0.00 C ATOM 264 CZ TYR A 17 -3.997 -5.104 2.780 1.00 0.00 C ATOM 265 OH TYR A 17 -2.964 -4.520 3.482 1.00 0.00 O ATOM 0 H TYR A 17 -8.734 -8.223 -0.917 1.00 0.00 H new ATOM 0 HA TYR A 17 -6.095 -7.182 -1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.885 -6.156 0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.845 -7.530 1.260 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.719 -6.361 -0.302 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.236 -6.084 3.172 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.861 -5.307 0.960 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.376 -5.033 4.434 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.260 -4.323 4.395 1.00 0.00 H new ATOM 275 N ARG A 18 -6.367 -9.896 0.643 1.00 0.00 N ATOM 276 CA ARG A 18 -5.551 -10.991 1.236 1.00 0.00 C ATOM 277 C ARG A 18 -4.807 -11.732 0.124 1.00 0.00 C ATOM 278 O ARG A 18 -3.599 -11.859 0.152 1.00 0.00 O ATOM 279 CB ARG A 18 -6.467 -11.969 1.975 1.00 0.00 C ATOM 280 CG ARG A 18 -6.011 -12.094 3.429 1.00 0.00 C ATOM 281 CD ARG A 18 -6.432 -10.845 4.207 1.00 0.00 C ATOM 282 NE ARG A 18 -6.497 -11.165 5.660 1.00 0.00 N ATOM 283 CZ ARG A 18 -6.282 -10.231 6.544 1.00 0.00 C ATOM 284 NH1 ARG A 18 -6.933 -9.102 6.472 1.00 0.00 N ATOM 285 NH2 ARG A 18 -5.418 -10.426 7.501 1.00 0.00 N ATOM 0 H ARG A 18 -7.376 -10.005 0.740 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.831 -10.568 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.499 -11.619 1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.442 -12.945 1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.449 -12.983 3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.929 -12.214 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.721 -10.038 4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.403 -10.495 3.857 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.710 -12.115 5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.610 -8.950 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.765 -8.371 7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.911 -11.309 7.558 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.250 -9.696 8.193 1.00 0.00 H new ATOM 299 N VAL A 19 -5.517 -12.224 -0.854 1.00 0.00 N ATOM 300 CA VAL A 19 -4.846 -12.956 -1.964 1.00 0.00 C ATOM 301 C VAL A 19 -3.668 -12.126 -2.481 1.00 0.00 C ATOM 302 O VAL A 19 -2.646 -12.656 -2.867 1.00 0.00 O ATOM 303 CB VAL A 19 -5.842 -13.192 -3.101 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.111 -13.797 -4.302 1.00 0.00 C ATOM 305 CG2 VAL A 19 -6.930 -14.159 -2.631 1.00 0.00 C ATOM 0 H VAL A 19 -6.531 -12.151 -0.932 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.483 -13.916 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.295 -12.244 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.820 -13.965 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.333 -13.111 -4.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.659 -14.746 -4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.641 -14.328 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.475 -15.107 -2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.451 -13.732 -1.774 1.00 0.00 H new ATOM 315 N PHE A 20 -3.804 -10.828 -2.492 1.00 0.00 N ATOM 316 CA PHE A 20 -2.691 -9.969 -2.983 1.00 0.00 C ATOM 317 C PHE A 20 -1.495 -10.094 -2.037 1.00 0.00 C ATOM 318 O PHE A 20 -0.375 -10.290 -2.462 1.00 0.00 O ATOM 319 CB PHE A 20 -3.153 -8.511 -3.030 1.00 0.00 C ATOM 320 CG PHE A 20 -2.047 -7.651 -3.595 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.356 -8.065 -4.742 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.711 -6.442 -2.972 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.328 -7.269 -5.265 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.683 -5.646 -3.496 1.00 0.00 C ATOM 325 CZ PHE A 20 0.007 -6.060 -4.642 1.00 0.00 C ATOM 0 H PHE A 20 -4.637 -10.327 -2.183 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.399 -10.290 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.048 -8.422 -3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.419 -8.170 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.616 -8.997 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.244 -6.123 -2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.206 -7.588 -6.148 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.423 -4.714 -3.016 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.799 -5.446 -5.046 1.00 0.00 H new ATOM 335 N LEU A 21 -1.725 -9.983 -0.758 1.00 0.00 N ATOM 336 CA LEU A 21 -0.599 -10.097 0.214 1.00 0.00 C ATOM 337 C LEU A 21 0.157 -11.406 -0.026 1.00 0.00 C ATOM 338 O LEU A 21 1.371 -11.435 -0.064 1.00 0.00 O ATOM 339 CB LEU A 21 -1.154 -10.087 1.640 1.00 0.00 C ATOM 340 CG LEU A 21 -0.749 -8.787 2.337 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.774 -8.641 2.303 1.00 0.00 C ATOM 342 CD2 LEU A 21 -1.391 -7.601 1.616 1.00 0.00 C ATOM 0 H LEU A 21 -2.642 -9.819 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 21 0.080 -9.255 0.079 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.240 -10.178 1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.773 -10.944 2.196 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.088 -8.810 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.062 -7.714 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.232 -9.486 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.114 -8.618 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.103 -6.674 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.053 -7.578 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.476 -7.704 1.641 1.00 0.00 H new ATOM 354 N GLU A 22 -0.551 -12.490 -0.186 1.00 0.00 N ATOM 355 CA GLU A 22 0.125 -13.797 -0.418 1.00 0.00 C ATOM 356 C GLU A 22 1.002 -13.710 -1.670 1.00 0.00 C ATOM 357 O GLU A 22 2.160 -14.077 -1.653 1.00 0.00 O ATOM 358 CB GLU A 22 -0.930 -14.889 -0.608 1.00 0.00 C ATOM 359 CG GLU A 22 -1.236 -15.545 0.740 1.00 0.00 C ATOM 360 CD GLU A 22 -2.716 -15.922 0.800 1.00 0.00 C ATOM 361 OE1 GLU A 22 -3.372 -15.836 -0.226 1.00 0.00 O ATOM 362 OE2 GLU A 22 -3.171 -16.290 1.871 1.00 0.00 O ATOM 0 H GLU A 22 -1.570 -12.527 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 22 0.749 -14.038 0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.839 -14.461 -1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.571 -15.637 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.618 -16.433 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.991 -14.862 1.553 1.00 0.00 H new ATOM 369 N ARG A 23 0.461 -13.232 -2.757 1.00 0.00 N ATOM 370 CA ARG A 23 1.268 -13.126 -4.005 1.00 0.00 C ATOM 371 C ARG A 23 2.559 -12.358 -3.713 1.00 0.00 C ATOM 372 O ARG A 23 3.649 -12.864 -3.891 1.00 0.00 O ATOM 373 CB ARG A 23 0.463 -12.385 -5.075 1.00 0.00 C ATOM 374 CG ARG A 23 1.082 -12.641 -6.451 1.00 0.00 C ATOM 375 CD ARG A 23 0.312 -13.759 -7.159 1.00 0.00 C ATOM 376 NE ARG A 23 0.262 -13.477 -8.622 1.00 0.00 N ATOM 377 CZ ARG A 23 -0.712 -13.955 -9.346 1.00 0.00 C ATOM 378 NH1 ARG A 23 -1.477 -14.899 -8.869 1.00 0.00 N ATOM 379 NH2 ARG A 23 -0.920 -13.490 -10.548 1.00 0.00 N ATOM 0 H ARG A 23 -0.504 -12.911 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 23 1.513 -14.125 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.574 -12.722 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.454 -11.316 -4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.053 -11.730 -7.049 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.130 -12.919 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.796 -14.719 -6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.698 -13.831 -6.757 1.00 0.00 H new ATOM 0 HE ARG A 23 0.990 -12.910 -9.057 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.313 -15.263 -7.930 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.239 -15.273 -9.435 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.321 -12.753 -10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.682 -13.863 -11.115 1.00 0.00 H new ATOM 393 N LEU A 24 2.444 -11.137 -3.265 1.00 0.00 N ATOM 394 CA LEU A 24 3.663 -10.337 -2.961 1.00 0.00 C ATOM 395 C LEU A 24 4.653 -11.196 -2.173 1.00 0.00 C ATOM 396 O LEU A 24 5.849 -11.122 -2.372 1.00 0.00 O ATOM 397 CB LEU A 24 3.275 -9.112 -2.129 1.00 0.00 C ATOM 398 CG LEU A 24 3.564 -7.840 -2.927 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.325 -6.943 -2.928 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.734 -7.092 -2.284 1.00 0.00 C ATOM 0 H LEU A 24 1.558 -10.660 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 24 4.126 -10.012 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.218 -9.157 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.835 -9.102 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 24 3.819 -8.105 -3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.532 -6.037 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.491 -7.475 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.068 -6.677 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.942 -6.185 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.477 -6.828 -1.258 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.618 -7.730 -2.284 1.00 0.00 H new ATOM 412 N GLU A 25 4.165 -12.012 -1.280 1.00 0.00 N ATOM 413 CA GLU A 25 5.080 -12.876 -0.483 1.00 0.00 C ATOM 414 C GLU A 25 5.803 -13.849 -1.417 1.00 0.00 C ATOM 415 O GLU A 25 6.996 -14.052 -1.314 1.00 0.00 O ATOM 416 CB GLU A 25 4.268 -13.663 0.548 1.00 0.00 C ATOM 417 CG GLU A 25 4.424 -13.014 1.924 1.00 0.00 C ATOM 418 CD GLU A 25 3.539 -13.742 2.937 1.00 0.00 C ATOM 419 OE1 GLU A 25 3.752 -14.927 3.137 1.00 0.00 O ATOM 420 OE2 GLU A 25 2.662 -13.103 3.494 1.00 0.00 O ATOM 0 H GLU A 25 3.173 -12.118 -1.068 1.00 0.00 H new ATOM 0 HA GLU A 25 5.813 -12.254 0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.217 -13.683 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.609 -14.698 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.466 -13.055 2.241 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.147 -11.961 1.874 1.00 0.00 H new ATOM 427 N GLN A 26 5.089 -14.451 -2.328 1.00 0.00 N ATOM 428 CA GLN A 26 5.737 -15.409 -3.269 1.00 0.00 C ATOM 429 C GLN A 26 6.760 -14.665 -4.131 1.00 0.00 C ATOM 430 O GLN A 26 7.683 -15.251 -4.658 1.00 0.00 O ATOM 431 CB GLN A 26 4.672 -16.037 -4.171 1.00 0.00 C ATOM 432 CG GLN A 26 4.878 -17.552 -4.227 1.00 0.00 C ATOM 433 CD GLN A 26 3.734 -18.253 -3.492 1.00 0.00 C ATOM 434 OE1 GLN A 26 3.832 -18.525 -2.312 1.00 0.00 O ATOM 435 NE2 GLN A 26 2.646 -18.558 -4.144 1.00 0.00 N ATOM 0 H GLN A 26 4.086 -14.322 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 26 6.240 -16.191 -2.701 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.677 -15.809 -3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.734 -15.614 -5.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.916 -17.886 -5.264 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.832 -17.816 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.564 -18.329 -5.135 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.877 -19.025 -3.663 1.00 0.00 H new ATOM 444 N SER A 27 6.602 -13.378 -4.278 1.00 0.00 N ATOM 445 CA SER A 27 7.565 -12.599 -5.105 1.00 0.00 C ATOM 446 C SER A 27 8.996 -12.930 -4.673 1.00 0.00 C ATOM 447 O SER A 27 9.835 -13.267 -5.484 1.00 0.00 O ATOM 448 CB SER A 27 7.308 -11.103 -4.914 1.00 0.00 C ATOM 449 OG SER A 27 7.480 -10.435 -6.157 1.00 0.00 O ATOM 0 H SER A 27 5.848 -12.833 -3.861 1.00 0.00 H new ATOM 0 HA SER A 27 7.434 -12.859 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.298 -10.941 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.994 -10.696 -4.171 1.00 0.00 H new ATOM 0 HG SER A 27 7.314 -9.476 -6.039 1.00 0.00 H new ATOM 455 N GLY A 28 9.280 -12.837 -3.403 1.00 0.00 N ATOM 456 CA GLY A 28 10.656 -13.146 -2.923 1.00 0.00 C ATOM 457 C GLY A 28 11.400 -11.842 -2.628 1.00 0.00 C ATOM 458 O GLY A 28 12.220 -11.773 -1.734 1.00 0.00 O ATOM 0 H GLY A 28 8.619 -12.560 -2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.609 -13.761 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 28 11.194 -13.722 -3.676 1.00 0.00 H new ATOM 462 N LEU A 29 11.121 -10.808 -3.372 1.00 0.00 N ATOM 463 CA LEU A 29 11.812 -9.510 -3.133 1.00 0.00 C ATOM 464 C LEU A 29 11.565 -9.059 -1.692 1.00 0.00 C ATOM 465 O LEU A 29 10.533 -9.336 -1.113 1.00 0.00 O ATOM 466 CB LEU A 29 11.264 -8.455 -4.096 1.00 0.00 C ATOM 467 CG LEU A 29 12.303 -8.161 -5.179 1.00 0.00 C ATOM 468 CD1 LEU A 29 13.551 -7.551 -4.538 1.00 0.00 C ATOM 469 CD2 LEU A 29 12.681 -9.462 -5.888 1.00 0.00 C ATOM 0 H LEU A 29 10.444 -10.806 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 29 12.882 -9.633 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.339 -8.809 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.022 -7.542 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 29 11.885 -7.460 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.291 -7.342 -5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.283 -6.624 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 29 13.969 -8.252 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.422 -9.254 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.098 -10.163 -5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.793 -9.898 -6.345 1.00 0.00 H new ATOM 481 N GLU A 30 12.504 -8.367 -1.108 1.00 0.00 N ATOM 482 CA GLU A 30 12.321 -7.899 0.295 1.00 0.00 C ATOM 483 C GLU A 30 11.489 -6.615 0.299 1.00 0.00 C ATOM 484 O GLU A 30 11.751 -5.693 -0.447 1.00 0.00 O ATOM 485 CB GLU A 30 13.688 -7.619 0.923 1.00 0.00 C ATOM 486 CG GLU A 30 13.817 -8.400 2.233 1.00 0.00 C ATOM 487 CD GLU A 30 12.629 -8.074 3.140 1.00 0.00 C ATOM 488 OE1 GLU A 30 11.599 -8.708 2.984 1.00 0.00 O ATOM 489 OE2 GLU A 30 12.770 -7.197 3.976 1.00 0.00 O ATOM 0 H GLU A 30 13.390 -8.105 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 30 11.807 -8.669 0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.482 -7.908 0.235 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.802 -6.551 1.111 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.850 -9.470 2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.751 -8.142 2.732 1.00 0.00 H new ATOM 496 N TRP A 31 10.487 -6.548 1.130 1.00 0.00 N ATOM 497 CA TRP A 31 9.640 -5.323 1.177 1.00 0.00 C ATOM 498 C TRP A 31 9.320 -4.978 2.631 1.00 0.00 C ATOM 499 O TRP A 31 9.149 -5.846 3.464 1.00 0.00 O ATOM 500 CB TRP A 31 8.337 -5.576 0.418 1.00 0.00 C ATOM 501 CG TRP A 31 7.685 -6.814 0.946 1.00 0.00 C ATOM 502 CD1 TRP A 31 8.031 -8.078 0.609 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.589 -6.929 1.898 1.00 0.00 C ATOM 504 NE1 TRP A 31 7.215 -8.961 1.293 1.00 0.00 N ATOM 505 CE2 TRP A 31 6.310 -8.302 2.100 1.00 0.00 C ATOM 506 CE3 TRP A 31 5.815 -5.983 2.599 1.00 0.00 C ATOM 507 CZ2 TRP A 31 5.299 -8.721 2.966 1.00 0.00 C ATOM 508 CZ3 TRP A 31 4.797 -6.402 3.472 1.00 0.00 C ATOM 509 CH2 TRP A 31 4.539 -7.769 3.655 1.00 0.00 C ATOM 0 H TRP A 31 10.218 -7.288 1.779 1.00 0.00 H new ATOM 0 HA TRP A 31 10.177 -4.494 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 31 7.667 -4.723 0.530 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.539 -5.685 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.815 -8.352 -0.081 1.00 0.00 H new ATOM 0 HE1 TRP A 31 7.275 -9.976 1.211 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.006 -4.929 2.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.104 -9.774 3.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.210 -5.668 4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.755 -8.086 4.327 1.00 0.00 H new ATOM 520 N ARG A 32 9.232 -3.715 2.941 1.00 0.00 N ATOM 521 CA ARG A 32 8.918 -3.310 4.340 1.00 0.00 C ATOM 522 C ARG A 32 7.779 -2.285 4.324 1.00 0.00 C ATOM 523 O ARG A 32 7.661 -1.510 3.397 1.00 0.00 O ATOM 524 CB ARG A 32 10.158 -2.686 4.983 1.00 0.00 C ATOM 525 CG ARG A 32 10.934 -3.763 5.746 1.00 0.00 C ATOM 526 CD ARG A 32 11.602 -3.139 6.973 1.00 0.00 C ATOM 527 NE ARG A 32 11.132 -3.838 8.203 1.00 0.00 N ATOM 528 CZ ARG A 32 10.068 -3.414 8.827 1.00 0.00 C ATOM 529 NH1 ARG A 32 10.095 -2.274 9.462 1.00 0.00 N ATOM 530 NH2 ARG A 32 8.977 -4.129 8.816 1.00 0.00 N ATOM 0 H ARG A 32 9.364 -2.945 2.286 1.00 0.00 H new ATOM 0 HA ARG A 32 8.616 -4.185 4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.792 -2.239 4.217 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.865 -1.885 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.260 -4.563 6.053 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.687 -4.212 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.686 -3.217 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.362 -2.077 7.031 1.00 0.00 H new ATOM 0 HE ARG A 32 11.642 -4.647 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.948 -1.715 9.470 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.263 -1.942 9.950 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.956 -5.020 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.145 -3.797 9.304 1.00 0.00 H new ATOM 544 N PRO A 33 6.974 -2.317 5.354 1.00 0.00 N ATOM 545 CA PRO A 33 5.827 -1.402 5.490 1.00 0.00 C ATOM 546 C PRO A 33 6.297 -0.014 5.939 1.00 0.00 C ATOM 547 O PRO A 33 6.586 0.211 7.097 1.00 0.00 O ATOM 548 CB PRO A 33 4.966 -2.064 6.570 1.00 0.00 C ATOM 549 CG PRO A 33 5.911 -2.985 7.377 1.00 0.00 C ATOM 550 CD PRO A 33 7.129 -3.265 6.475 1.00 0.00 C ATOM 0 HA PRO A 33 5.287 -1.250 4.555 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.509 -1.314 7.216 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.154 -2.637 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.219 -2.506 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.408 -3.913 7.649 1.00 0.00 H new ATOM 0 HD2 PRO A 33 8.066 -3.102 7.008 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.137 -4.297 6.125 1.00 0.00 H new ATOM 558 N ALA A 34 6.374 0.916 5.027 1.00 0.00 N ATOM 559 CA ALA A 34 6.822 2.288 5.397 1.00 0.00 C ATOM 560 C ALA A 34 5.604 3.207 5.503 1.00 0.00 C ATOM 561 O ALA A 34 4.580 2.968 4.896 1.00 0.00 O ATOM 562 CB ALA A 34 7.771 2.822 4.322 1.00 0.00 C ATOM 0 H ALA A 34 6.146 0.785 4.041 1.00 0.00 H new ATOM 0 HA ALA A 34 7.340 2.256 6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.099 3.826 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.638 2.166 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.253 2.855 3.363 1.00 0.00 H new ATOM 568 N THR A 35 5.705 4.258 6.270 1.00 0.00 N ATOM 569 CA THR A 35 4.551 5.190 6.410 1.00 0.00 C ATOM 570 C THR A 35 4.191 5.762 5.035 1.00 0.00 C ATOM 571 O THR A 35 4.967 5.666 4.105 1.00 0.00 O ATOM 572 CB THR A 35 4.930 6.334 7.354 1.00 0.00 C ATOM 573 OG1 THR A 35 6.322 6.595 7.243 1.00 0.00 O ATOM 574 CG2 THR A 35 4.596 5.944 8.794 1.00 0.00 C ATOM 0 H THR A 35 6.536 4.511 6.805 1.00 0.00 H new ATOM 0 HA THR A 35 3.695 4.652 6.817 1.00 0.00 H new ATOM 0 HB THR A 35 4.369 7.228 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.566 7.328 7.845 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.867 6.760 9.464 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.528 5.744 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.155 5.049 9.068 1.00 0.00 H new ATOM 582 N PRO A 36 3.023 6.345 4.952 1.00 0.00 N ATOM 583 CA PRO A 36 2.527 6.950 3.703 1.00 0.00 C ATOM 584 C PRO A 36 3.200 8.305 3.471 1.00 0.00 C ATOM 585 O PRO A 36 3.046 8.917 2.432 1.00 0.00 O ATOM 586 CB PRO A 36 1.026 7.117 3.957 1.00 0.00 C ATOM 587 CG PRO A 36 0.842 7.133 5.493 1.00 0.00 C ATOM 588 CD PRO A 36 2.091 6.456 6.092 1.00 0.00 C ATOM 0 HA PRO A 36 2.736 6.350 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.657 8.041 3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.463 6.300 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.741 8.154 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.064 6.599 5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.518 7.051 6.899 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.853 5.477 6.509 1.00 0.00 H new ATOM 596 N GLU A 37 3.948 8.776 4.430 1.00 0.00 N ATOM 597 CA GLU A 37 4.636 10.087 4.267 1.00 0.00 C ATOM 598 C GLU A 37 6.055 9.852 3.748 1.00 0.00 C ATOM 599 O GLU A 37 6.624 10.683 3.068 1.00 0.00 O ATOM 600 CB GLU A 37 4.699 10.800 5.619 1.00 0.00 C ATOM 601 CG GLU A 37 4.642 12.313 5.401 1.00 0.00 C ATOM 602 CD GLU A 37 5.893 12.961 5.999 1.00 0.00 C ATOM 603 OE1 GLU A 37 6.945 12.349 5.927 1.00 0.00 O ATOM 604 OE2 GLU A 37 5.776 14.059 6.519 1.00 0.00 O ATOM 0 H GLU A 37 4.113 8.308 5.321 1.00 0.00 H new ATOM 0 HA GLU A 37 4.085 10.704 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.869 10.481 6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.617 10.531 6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.578 12.536 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.747 12.725 5.868 1.00 0.00 H new ATOM 611 N ASP A 38 6.630 8.724 4.063 1.00 0.00 N ATOM 612 CA ASP A 38 8.012 8.432 3.586 1.00 0.00 C ATOM 613 C ASP A 38 8.026 7.077 2.876 1.00 0.00 C ATOM 614 O ASP A 38 8.886 6.251 3.112 1.00 0.00 O ATOM 615 CB ASP A 38 8.965 8.391 4.782 1.00 0.00 C ATOM 616 CG ASP A 38 9.697 9.729 4.898 1.00 0.00 C ATOM 617 OD1 ASP A 38 9.477 10.577 4.049 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.466 9.882 5.833 1.00 0.00 O ATOM 0 H ASP A 38 6.203 7.992 4.630 1.00 0.00 H new ATOM 0 HA ASP A 38 8.332 9.210 2.893 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.408 8.188 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.684 7.581 4.660 1.00 0.00 H new ATOM 623 N ALA A 39 7.081 6.842 2.008 1.00 0.00 N ATOM 624 CA ALA A 39 7.041 5.539 1.285 1.00 0.00 C ATOM 625 C ALA A 39 7.628 5.713 -0.117 1.00 0.00 C ATOM 626 O ALA A 39 7.520 6.762 -0.720 1.00 0.00 O ATOM 627 CB ALA A 39 5.593 5.061 1.176 1.00 0.00 C ATOM 0 H ALA A 39 6.335 7.495 1.768 1.00 0.00 H new ATOM 0 HA ALA A 39 7.627 4.802 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.563 4.108 0.647 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.175 4.935 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.007 5.799 0.628 1.00 0.00 H new ATOM 633 N ASP A 40 8.248 4.692 -0.640 1.00 0.00 N ATOM 634 CA ASP A 40 8.839 4.797 -2.003 1.00 0.00 C ATOM 635 C ASP A 40 7.849 4.246 -3.031 1.00 0.00 C ATOM 636 O ASP A 40 7.856 4.632 -4.183 1.00 0.00 O ATOM 637 CB ASP A 40 10.138 3.988 -2.060 1.00 0.00 C ATOM 638 CG ASP A 40 11.184 4.638 -1.154 1.00 0.00 C ATOM 639 OD1 ASP A 40 10.993 5.786 -0.790 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.159 3.977 -0.839 1.00 0.00 O ATOM 0 H ASP A 40 8.371 3.789 -0.182 1.00 0.00 H new ATOM 0 HA ASP A 40 9.052 5.842 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.954 2.962 -1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.506 3.943 -3.085 1.00 0.00 H new ATOM 645 N ALA A 41 6.996 3.347 -2.623 1.00 0.00 N ATOM 646 CA ALA A 41 6.004 2.772 -3.575 1.00 0.00 C ATOM 647 C ALA A 41 4.674 2.545 -2.852 1.00 0.00 C ATOM 648 O ALA A 41 4.597 1.798 -1.897 1.00 0.00 O ATOM 649 CB ALA A 41 6.529 1.440 -4.113 1.00 0.00 C ATOM 0 H ALA A 41 6.943 2.985 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 41 5.851 3.463 -4.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.805 1.018 -4.810 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.475 1.603 -4.628 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.682 0.748 -3.285 1.00 0.00 H new ATOM 655 N VAL A 42 3.628 3.186 -3.298 1.00 0.00 N ATOM 656 CA VAL A 42 2.306 3.006 -2.635 1.00 0.00 C ATOM 657 C VAL A 42 1.367 2.228 -3.561 1.00 0.00 C ATOM 658 O VAL A 42 0.792 2.776 -4.480 1.00 0.00 O ATOM 659 CB VAL A 42 1.698 4.376 -2.328 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.270 4.198 -1.809 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.541 5.081 -1.262 1.00 0.00 C ATOM 0 H VAL A 42 3.632 3.826 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 42 2.441 2.451 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 42 1.682 4.977 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.162 5.175 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.332 3.696 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.286 3.597 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.108 6.057 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.557 4.479 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.559 5.210 -1.630 1.00 0.00 H new ATOM 671 N ILE A 43 1.210 0.953 -3.327 1.00 0.00 N ATOM 672 CA ILE A 43 0.311 0.139 -4.192 1.00 0.00 C ATOM 673 C ILE A 43 -1.133 0.273 -3.700 1.00 0.00 C ATOM 674 O ILE A 43 -1.505 -0.272 -2.680 1.00 0.00 O ATOM 675 CB ILE A 43 0.735 -1.329 -4.127 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.259 -1.424 -4.232 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.097 -2.098 -5.285 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.811 -2.150 -3.004 1.00 0.00 C ATOM 0 H ILE A 43 1.667 0.440 -2.573 1.00 0.00 H new ATOM 0 HA ILE A 43 0.379 0.494 -5.220 1.00 0.00 H new ATOM 0 HB ILE A 43 0.407 -1.759 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.539 -1.958 -5.140 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.692 -0.426 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.400 -3.144 -5.238 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.988 -2.031 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.424 -1.668 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.896 -2.218 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.543 -1.597 -2.104 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.388 -3.153 -2.953 1.00 0.00 H new ATOM 690 N VAL A 44 -1.950 0.994 -4.417 1.00 0.00 N ATOM 691 CA VAL A 44 -3.369 1.163 -3.992 1.00 0.00 C ATOM 692 C VAL A 44 -4.259 0.200 -4.783 1.00 0.00 C ATOM 693 O VAL A 44 -4.110 0.041 -5.980 1.00 0.00 O ATOM 694 CB VAL A 44 -3.813 2.602 -4.259 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.055 2.918 -3.423 1.00 0.00 C ATOM 696 CG2 VAL A 44 -2.686 3.564 -3.877 1.00 0.00 C ATOM 0 H VAL A 44 -1.696 1.474 -5.280 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.457 0.946 -2.927 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.048 2.717 -5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.371 3.944 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.860 2.234 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.821 2.801 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.003 4.589 -4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.451 3.447 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.800 3.341 -4.472 1.00 0.00 H new ATOM 706 N LEU A 45 -5.184 -0.443 -4.124 1.00 0.00 N ATOM 707 CA LEU A 45 -6.086 -1.394 -4.837 1.00 0.00 C ATOM 708 C LEU A 45 -7.308 -0.638 -5.366 1.00 0.00 C ATOM 709 O LEU A 45 -7.972 0.070 -4.637 1.00 0.00 O ATOM 710 CB LEU A 45 -6.547 -2.486 -3.868 1.00 0.00 C ATOM 711 CG LEU A 45 -5.508 -3.607 -3.821 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.517 -4.369 -5.148 1.00 0.00 C ATOM 713 CD2 LEU A 45 -4.121 -3.006 -3.587 1.00 0.00 C ATOM 0 H LEU A 45 -5.355 -0.351 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.548 -1.848 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.688 -2.066 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.511 -2.884 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.750 -4.292 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.776 -5.168 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.505 -4.797 -5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.276 -3.685 -5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.380 -3.804 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.880 -2.321 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.114 -2.464 -2.641 1.00 0.00 H new ATOM 725 N ALA A 46 -7.615 -0.786 -6.627 1.00 0.00 N ATOM 726 CA ALA A 46 -8.799 -0.076 -7.188 1.00 0.00 C ATOM 727 C ALA A 46 -10.073 -0.838 -6.819 1.00 0.00 C ATOM 728 O ALA A 46 -11.159 -0.492 -7.239 1.00 0.00 O ATOM 729 CB ALA A 46 -8.676 0.005 -8.712 1.00 0.00 C ATOM 0 H ALA A 46 -7.099 -1.365 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.845 0.932 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.543 0.525 -9.120 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.769 0.550 -8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.628 -1.002 -9.127 1.00 0.00 H new ATOM 735 N GLY A 47 -9.951 -1.876 -6.035 1.00 0.00 N ATOM 736 CA GLY A 47 -11.156 -2.658 -5.639 1.00 0.00 C ATOM 737 C GLY A 47 -11.893 -1.927 -4.515 1.00 0.00 C ATOM 738 O GLY A 47 -13.078 -2.106 -4.318 1.00 0.00 O ATOM 0 H GLY A 47 -9.069 -2.215 -5.652 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.816 -2.788 -6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.863 -3.654 -5.308 1.00 0.00 H new ATOM 742 N LEU A 48 -11.201 -1.104 -3.775 1.00 0.00 N ATOM 743 CA LEU A 48 -11.865 -0.364 -2.666 1.00 0.00 C ATOM 744 C LEU A 48 -12.260 1.034 -3.146 1.00 0.00 C ATOM 745 O LEU A 48 -12.354 1.963 -2.370 1.00 0.00 O ATOM 746 CB LEU A 48 -10.904 -0.240 -1.481 1.00 0.00 C ATOM 747 CG LEU A 48 -10.153 -1.559 -1.288 1.00 0.00 C ATOM 748 CD1 LEU A 48 -8.927 -1.323 -0.404 1.00 0.00 C ATOM 749 CD2 LEU A 48 -11.075 -2.577 -0.614 1.00 0.00 C ATOM 0 H LEU A 48 -10.206 -0.913 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.757 -0.908 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.197 0.570 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.457 0.011 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.835 -1.941 -2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.392 -2.262 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.269 -0.597 -0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.246 -0.941 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.540 -3.517 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.392 -2.194 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.950 -2.746 -1.241 1.00 0.00 H new ATOM 761 N TRP A 49 -12.495 1.191 -4.420 1.00 0.00 N ATOM 762 CA TRP A 49 -12.885 2.531 -4.944 1.00 0.00 C ATOM 763 C TRP A 49 -14.353 2.800 -4.607 1.00 0.00 C ATOM 764 O TRP A 49 -14.719 3.887 -4.205 1.00 0.00 O ATOM 765 CB TRP A 49 -12.697 2.561 -6.463 1.00 0.00 C ATOM 766 CG TRP A 49 -13.266 3.831 -7.011 1.00 0.00 C ATOM 767 CD1 TRP A 49 -14.585 4.128 -7.073 1.00 0.00 C ATOM 768 CD2 TRP A 49 -12.562 4.976 -7.573 1.00 0.00 C ATOM 769 NE1 TRP A 49 -14.735 5.382 -7.636 1.00 0.00 N ATOM 770 CE2 TRP A 49 -13.518 5.946 -7.962 1.00 0.00 C ATOM 771 CE3 TRP A 49 -11.199 5.265 -7.782 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -13.134 7.160 -8.537 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -10.810 6.486 -8.360 1.00 0.00 C ATOM 774 CH2 TRP A 49 -11.776 7.431 -8.737 1.00 0.00 C ATOM 0 H TRP A 49 -12.434 0.451 -5.120 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.259 3.297 -4.486 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.638 2.488 -6.711 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.191 1.703 -6.918 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.389 3.490 -6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.635 5.835 -7.792 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.448 4.544 -7.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.881 7.885 -8.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.762 6.698 -8.515 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -11.472 8.367 -9.181 1.00 0.00 H new ATOM 785 N GLY A 50 -15.198 1.818 -4.766 1.00 0.00 N ATOM 786 CA GLY A 50 -16.641 2.018 -4.452 1.00 0.00 C ATOM 787 C GLY A 50 -16.900 1.672 -2.985 1.00 0.00 C ATOM 788 O GLY A 50 -17.983 1.266 -2.614 1.00 0.00 O ATOM 0 H GLY A 50 -14.951 0.886 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.926 3.052 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.254 1.390 -5.098 1.00 0.00 H new ATOM 792 N THR A 51 -15.913 1.831 -2.145 1.00 0.00 N ATOM 793 CA THR A 51 -16.103 1.513 -0.702 1.00 0.00 C ATOM 794 C THR A 51 -15.373 2.552 0.150 1.00 0.00 C ATOM 795 O THR A 51 -15.967 3.223 0.970 1.00 0.00 O ATOM 796 CB THR A 51 -15.534 0.122 -0.406 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.188 0.058 -0.855 1.00 0.00 O ATOM 798 CG2 THR A 51 -16.368 -0.938 -1.129 1.00 0.00 C ATOM 0 H THR A 51 -14.983 2.167 -2.396 1.00 0.00 H new ATOM 0 HA THR A 51 -17.167 1.530 -0.464 1.00 0.00 H new ATOM 0 HB THR A 51 -15.568 -0.064 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.744 -0.716 -0.449 1.00 0.00 H new ATOM 0 HG21 THR A 51 -15.962 -1.927 -0.917 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.400 -0.888 -0.782 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.337 -0.755 -2.203 1.00 0.00 H new ATOM 806 N ARG A 52 -14.089 2.689 -0.037 1.00 0.00 N ATOM 807 CA ARG A 52 -13.323 3.682 0.765 1.00 0.00 C ATOM 808 C ARG A 52 -12.729 4.744 -0.164 1.00 0.00 C ATOM 809 O ARG A 52 -11.552 5.042 -0.107 1.00 0.00 O ATOM 810 CB ARG A 52 -12.194 2.971 1.513 1.00 0.00 C ATOM 811 CG ARG A 52 -12.522 2.923 3.007 1.00 0.00 C ATOM 812 CD ARG A 52 -12.966 1.511 3.387 1.00 0.00 C ATOM 813 NE ARG A 52 -13.672 1.549 4.698 1.00 0.00 N ATOM 814 CZ ARG A 52 -13.880 0.444 5.361 1.00 0.00 C ATOM 815 NH1 ARG A 52 -13.934 -0.696 4.728 1.00 0.00 N ATOM 816 NH2 ARG A 52 -14.033 0.479 6.656 1.00 0.00 N ATOM 0 H ARG A 52 -13.538 2.156 -0.710 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.991 4.160 1.482 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.067 1.960 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.251 3.495 1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.648 3.210 3.591 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.310 3.639 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.625 1.106 2.619 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.101 0.850 3.446 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.993 2.439 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.814 -0.723 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.096 -1.560 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.990 1.370 7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.196 -0.385 7.174 1.00 0.00 H new ATOM 830 N ARG A 53 -13.532 5.319 -1.017 1.00 0.00 N ATOM 831 CA ARG A 53 -13.008 6.362 -1.943 1.00 0.00 C ATOM 832 C ARG A 53 -12.600 7.597 -1.138 1.00 0.00 C ATOM 833 O ARG A 53 -11.699 8.323 -1.510 1.00 0.00 O ATOM 834 CB ARG A 53 -14.097 6.745 -2.949 1.00 0.00 C ATOM 835 CG ARG A 53 -13.454 7.411 -4.168 1.00 0.00 C ATOM 836 CD ARG A 53 -13.679 8.922 -4.104 1.00 0.00 C ATOM 837 NE ARG A 53 -14.018 9.431 -5.463 1.00 0.00 N ATOM 838 CZ ARG A 53 -14.897 10.386 -5.602 1.00 0.00 C ATOM 839 NH1 ARG A 53 -16.042 10.314 -4.980 1.00 0.00 N ATOM 840 NH2 ARG A 53 -14.631 11.412 -6.363 1.00 0.00 N ATOM 0 H ARG A 53 -14.526 5.112 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.141 5.973 -2.477 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.652 5.858 -3.256 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.813 7.424 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.386 7.193 -4.194 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.884 7.007 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.485 9.151 -3.407 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.783 9.419 -3.731 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.563 9.033 -6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.250 9.512 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -16.729 11.060 -5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.736 11.468 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.318 12.158 -6.472 1.00 0.00 H new ATOM 854 N ASP A 54 -13.255 7.839 -0.036 1.00 0.00 N ATOM 855 CA ASP A 54 -12.904 9.026 0.795 1.00 0.00 C ATOM 856 C ASP A 54 -11.519 8.825 1.412 1.00 0.00 C ATOM 857 O ASP A 54 -10.738 9.749 1.522 1.00 0.00 O ATOM 858 CB ASP A 54 -13.939 9.192 1.911 1.00 0.00 C ATOM 859 CG ASP A 54 -14.950 10.269 1.513 1.00 0.00 C ATOM 860 OD1 ASP A 54 -14.642 11.436 1.690 1.00 0.00 O ATOM 861 OD2 ASP A 54 -16.015 9.907 1.040 1.00 0.00 O ATOM 0 H ASP A 54 -14.018 7.266 0.325 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.898 9.918 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.451 8.246 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.444 9.469 2.842 1.00 0.00 H new ATOM 866 N GLU A 55 -11.208 7.624 1.817 1.00 0.00 N ATOM 867 CA GLU A 55 -9.874 7.364 2.427 1.00 0.00 C ATOM 868 C GLU A 55 -8.791 7.456 1.350 1.00 0.00 C ATOM 869 O GLU A 55 -7.846 8.209 1.469 1.00 0.00 O ATOM 870 CB GLU A 55 -9.861 5.966 3.046 1.00 0.00 C ATOM 871 CG GLU A 55 -9.304 6.041 4.468 1.00 0.00 C ATOM 872 CD GLU A 55 -9.354 4.655 5.113 1.00 0.00 C ATOM 873 OE1 GLU A 55 -10.404 4.297 5.621 1.00 0.00 O ATOM 874 OE2 GLU A 55 -8.341 3.975 5.089 1.00 0.00 O ATOM 0 H GLU A 55 -11.821 6.811 1.752 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.678 8.106 3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.870 5.554 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.252 5.295 2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.278 6.407 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.884 6.750 5.060 1.00 0.00 H new ATOM 881 N ILE A 56 -8.920 6.693 0.299 1.00 0.00 N ATOM 882 CA ILE A 56 -7.898 6.734 -0.783 1.00 0.00 C ATOM 883 C ILE A 56 -7.620 8.188 -1.173 1.00 0.00 C ATOM 884 O ILE A 56 -6.487 8.585 -1.360 1.00 0.00 O ATOM 885 CB ILE A 56 -8.415 5.970 -2.003 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.628 4.500 -1.631 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.391 6.063 -3.136 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.533 3.835 -2.670 1.00 0.00 C ATOM 0 H ILE A 56 -9.690 6.043 0.144 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.977 6.272 -0.427 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.360 6.405 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.669 3.983 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.078 4.426 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -7.760 5.518 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -7.236 7.109 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.446 5.628 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.684 2.789 -2.404 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.496 4.346 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.065 3.896 -3.653 1.00 0.00 H new ATOM 900 N LEU A 57 -8.646 8.984 -1.298 1.00 0.00 N ATOM 901 CA LEU A 57 -8.439 10.411 -1.676 1.00 0.00 C ATOM 902 C LEU A 57 -7.299 11.004 -0.843 1.00 0.00 C ATOM 903 O LEU A 57 -6.394 11.623 -1.364 1.00 0.00 O ATOM 904 CB LEU A 57 -9.723 11.202 -1.413 1.00 0.00 C ATOM 905 CG LEU A 57 -10.450 11.460 -2.735 1.00 0.00 C ATOM 906 CD1 LEU A 57 -11.643 12.383 -2.487 1.00 0.00 C ATOM 907 CD2 LEU A 57 -9.490 12.124 -3.725 1.00 0.00 C ATOM 0 H LEU A 57 -9.618 8.709 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.184 10.469 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.370 10.648 -0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.486 12.148 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.800 10.514 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.162 12.568 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.327 11.912 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.292 13.329 -2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.008 12.308 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.140 13.070 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.638 11.468 -3.902 1.00 0.00 H new ATOM 919 N GLY A 58 -7.338 10.822 0.448 1.00 0.00 N ATOM 920 CA GLY A 58 -6.260 11.379 1.314 1.00 0.00 C ATOM 921 C GLY A 58 -4.900 10.860 0.841 1.00 0.00 C ATOM 922 O GLY A 58 -4.019 11.622 0.497 1.00 0.00 O ATOM 0 H GLY A 58 -8.070 10.311 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.277 12.468 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.429 11.092 2.352 1.00 0.00 H new ATOM 926 N ALA A 59 -4.722 9.568 0.826 1.00 0.00 N ATOM 927 CA ALA A 59 -3.418 8.999 0.380 1.00 0.00 C ATOM 928 C ALA A 59 -2.939 9.732 -0.874 1.00 0.00 C ATOM 929 O ALA A 59 -1.757 9.923 -1.079 1.00 0.00 O ATOM 930 CB ALA A 59 -3.593 7.512 0.066 1.00 0.00 C ATOM 0 H ALA A 59 -5.423 8.881 1.103 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.680 9.120 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.640 7.094 -0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.931 6.989 0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.332 7.392 -0.726 1.00 0.00 H new ATOM 936 N VAL A 60 -3.845 10.145 -1.717 1.00 0.00 N ATOM 937 CA VAL A 60 -3.434 10.863 -2.957 1.00 0.00 C ATOM 938 C VAL A 60 -2.892 12.247 -2.594 1.00 0.00 C ATOM 939 O VAL A 60 -1.797 12.613 -2.970 1.00 0.00 O ATOM 940 CB VAL A 60 -4.644 11.016 -3.882 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.224 11.754 -5.154 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.178 9.630 -4.252 1.00 0.00 C ATOM 0 H VAL A 60 -4.850 10.017 -1.601 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.657 10.292 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.422 11.584 -3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.086 11.863 -5.813 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.840 12.740 -4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.447 11.186 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.040 9.736 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.399 9.064 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.476 9.101 -3.347 1.00 0.00 H new ATOM 952 N ASP A 61 -3.651 13.022 -1.868 1.00 0.00 N ATOM 953 CA ASP A 61 -3.178 14.383 -1.485 1.00 0.00 C ATOM 954 C ASP A 61 -1.763 14.293 -0.911 1.00 0.00 C ATOM 955 O ASP A 61 -0.862 14.982 -1.346 1.00 0.00 O ATOM 956 CB ASP A 61 -4.119 14.970 -0.431 1.00 0.00 C ATOM 957 CG ASP A 61 -5.184 15.827 -1.117 1.00 0.00 C ATOM 958 OD1 ASP A 61 -4.971 16.199 -2.259 1.00 0.00 O ATOM 959 OD2 ASP A 61 -6.194 16.099 -0.488 1.00 0.00 O ATOM 0 H ASP A 61 -4.578 12.772 -1.524 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.170 15.025 -2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.592 14.168 0.136 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.554 15.573 0.280 1.00 0.00 H new ATOM 964 N LEU A 62 -1.559 13.453 0.066 1.00 0.00 N ATOM 965 CA LEU A 62 -0.201 13.324 0.670 1.00 0.00 C ATOM 966 C LEU A 62 0.792 12.855 -0.397 1.00 0.00 C ATOM 967 O LEU A 62 1.951 13.217 -0.379 1.00 0.00 O ATOM 968 CB LEU A 62 -0.244 12.306 1.810 1.00 0.00 C ATOM 969 CG LEU A 62 0.250 12.962 3.101 1.00 0.00 C ATOM 970 CD1 LEU A 62 0.210 11.942 4.239 1.00 0.00 C ATOM 971 CD2 LEU A 62 1.688 13.450 2.905 1.00 0.00 C ATOM 0 H LEU A 62 -2.274 12.850 0.473 1.00 0.00 H new ATOM 0 HA LEU A 62 0.116 14.292 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.261 11.937 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.378 11.445 1.566 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.392 13.807 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.562 12.409 5.159 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.813 11.592 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.852 11.097 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.042 13.918 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.329 12.604 2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.718 14.177 2.093 1.00 0.00 H new ATOM 983 N ALA A 63 0.348 12.052 -1.324 1.00 0.00 N ATOM 984 CA ALA A 63 1.269 11.562 -2.387 1.00 0.00 C ATOM 985 C ALA A 63 1.608 12.712 -3.338 1.00 0.00 C ATOM 986 O ALA A 63 2.607 12.686 -4.028 1.00 0.00 O ATOM 987 CB ALA A 63 0.591 10.436 -3.170 1.00 0.00 C ATOM 0 H ALA A 63 -0.612 11.714 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 63 2.184 11.187 -1.930 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.265 10.077 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.349 9.617 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.325 10.811 -3.627 1.00 0.00 H new ATOM 993 N ARG A 64 0.784 13.722 -3.377 1.00 0.00 N ATOM 994 CA ARG A 64 1.058 14.874 -4.284 1.00 0.00 C ATOM 995 C ARG A 64 2.238 15.687 -3.746 1.00 0.00 C ATOM 996 O ARG A 64 2.672 16.645 -4.357 1.00 0.00 O ATOM 997 CB ARG A 64 -0.182 15.767 -4.360 1.00 0.00 C ATOM 998 CG ARG A 64 -0.893 15.543 -5.695 1.00 0.00 C ATOM 999 CD ARG A 64 -0.086 16.198 -6.818 1.00 0.00 C ATOM 1000 NE ARG A 64 -1.017 16.827 -7.797 1.00 0.00 N ATOM 1001 CZ ARG A 64 -0.770 18.023 -8.256 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -0.509 18.998 -7.429 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -0.781 18.244 -9.543 1.00 0.00 N ATOM 0 H ARG A 64 -0.067 13.800 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 64 1.302 14.500 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.857 15.541 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.104 16.814 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.003 14.476 -5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.897 15.965 -5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.587 16.949 -6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.534 15.453 -7.317 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.847 16.323 -8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -0.498 18.825 -6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.316 19.933 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.983 17.481 -10.190 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.588 19.179 -9.902 1.00 0.00 H new ATOM 1017 N LYS A 65 2.761 15.317 -2.609 1.00 0.00 N ATOM 1018 CA LYS A 65 3.911 16.074 -2.039 1.00 0.00 C ATOM 1019 C LYS A 65 5.072 15.114 -1.770 1.00 0.00 C ATOM 1020 O LYS A 65 5.977 15.416 -1.017 1.00 0.00 O ATOM 1021 CB LYS A 65 3.483 16.735 -0.727 1.00 0.00 C ATOM 1022 CG LYS A 65 3.314 18.240 -0.940 1.00 0.00 C ATOM 1023 CD LYS A 65 2.398 18.488 -2.139 1.00 0.00 C ATOM 1024 CE LYS A 65 1.922 19.942 -2.127 1.00 0.00 C ATOM 1025 NZ LYS A 65 0.933 20.133 -1.028 1.00 0.00 N ATOM 0 H LYS A 65 2.442 14.525 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 65 4.230 16.839 -2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.547 16.300 -0.378 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.229 16.549 0.046 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.892 18.699 -0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.285 18.705 -1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.930 18.276 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.542 17.814 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.770 20.612 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.470 20.196 -3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.333 20.955 -1.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.339 19.283 -0.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.436 20.294 -0.132 1.00 0.00 H new ATOM 1039 N SER A 66 5.055 13.957 -2.374 1.00 0.00 N ATOM 1040 CA SER A 66 6.159 12.984 -2.144 1.00 0.00 C ATOM 1041 C SER A 66 6.458 12.226 -3.441 1.00 0.00 C ATOM 1042 O SER A 66 6.608 11.020 -3.442 1.00 0.00 O ATOM 1043 CB SER A 66 5.744 11.993 -1.057 1.00 0.00 C ATOM 1044 OG SER A 66 5.183 12.705 0.037 1.00 0.00 O ATOM 0 H SER A 66 4.326 13.645 -3.015 1.00 0.00 H new ATOM 0 HA SER A 66 7.053 13.520 -1.827 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.019 11.283 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.607 11.416 -0.726 1.00 0.00 H new ATOM 0 HG SER A 66 4.222 12.828 -0.111 1.00 0.00 H new ATOM 1050 N SER A 67 6.547 12.923 -4.542 1.00 0.00 N ATOM 1051 CA SER A 67 6.838 12.246 -5.840 1.00 0.00 C ATOM 1052 C SER A 67 5.566 11.580 -6.372 1.00 0.00 C ATOM 1053 O SER A 67 5.549 11.024 -7.452 1.00 0.00 O ATOM 1054 CB SER A 67 7.921 11.187 -5.634 1.00 0.00 C ATOM 1055 OG SER A 67 8.579 10.942 -6.869 1.00 0.00 O ATOM 0 H SER A 67 6.430 13.935 -4.599 1.00 0.00 H new ATOM 0 HA SER A 67 7.186 12.986 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.639 11.525 -4.887 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.478 10.266 -5.256 1.00 0.00 H new ATOM 0 HG SER A 67 7.913 10.845 -7.581 1.00 0.00 H new ATOM 1061 N LYS A 68 4.498 11.633 -5.623 1.00 0.00 N ATOM 1062 CA LYS A 68 3.228 11.007 -6.083 1.00 0.00 C ATOM 1063 C LYS A 68 3.480 9.564 -6.537 1.00 0.00 C ATOM 1064 O LYS A 68 3.225 9.225 -7.676 1.00 0.00 O ATOM 1065 CB LYS A 68 2.662 11.813 -7.255 1.00 0.00 C ATOM 1066 CG LYS A 68 2.865 13.305 -6.990 1.00 0.00 C ATOM 1067 CD LYS A 68 3.968 13.842 -7.904 1.00 0.00 C ATOM 1068 CE LYS A 68 3.341 14.666 -9.030 1.00 0.00 C ATOM 1069 NZ LYS A 68 2.816 13.752 -10.082 1.00 0.00 N ATOM 0 H LYS A 68 4.452 12.085 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 68 2.517 11.000 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.159 11.526 -8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.601 11.596 -7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.936 13.846 -7.168 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.133 13.466 -5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.662 14.457 -7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.544 13.016 -8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.535 15.285 -8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.082 15.341 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.390 14.312 -10.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.595 13.179 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.096 13.125 -9.669 1.00 0.00 H new ATOM 1083 N PRO A 69 3.965 8.755 -5.627 1.00 0.00 N ATOM 1084 CA PRO A 69 4.247 7.333 -5.898 1.00 0.00 C ATOM 1085 C PRO A 69 2.956 6.516 -5.775 1.00 0.00 C ATOM 1086 O PRO A 69 2.893 5.548 -5.043 1.00 0.00 O ATOM 1087 CB PRO A 69 5.226 6.947 -4.788 1.00 0.00 C ATOM 1088 CG PRO A 69 4.999 7.957 -3.636 1.00 0.00 C ATOM 1089 CD PRO A 69 4.290 9.178 -4.250 1.00 0.00 C ATOM 0 HA PRO A 69 4.644 7.153 -6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 69 5.048 5.926 -4.450 1.00 0.00 H new ATOM 0 HB3 PRO A 69 6.255 6.990 -5.145 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.392 7.514 -2.847 1.00 0.00 H new ATOM 0 HG3 PRO A 69 5.947 8.247 -3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.391 9.439 -3.691 1.00 0.00 H new ATOM 0 HD3 PRO A 69 4.935 10.057 -4.245 1.00 0.00 H new ATOM 1097 N ILE A 70 1.921 6.905 -6.468 1.00 0.00 N ATOM 1098 CA ILE A 70 0.635 6.160 -6.367 1.00 0.00 C ATOM 1099 C ILE A 70 0.474 5.216 -7.561 1.00 0.00 C ATOM 1100 O ILE A 70 0.398 5.643 -8.697 1.00 0.00 O ATOM 1101 CB ILE A 70 -0.529 7.152 -6.349 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -0.182 8.338 -5.444 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -1.783 6.459 -5.816 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -0.396 9.645 -6.210 1.00 0.00 C ATOM 0 H ILE A 70 1.911 7.706 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 70 0.638 5.575 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.712 7.510 -7.362 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.806 8.322 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.853 8.264 -5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.612 7.166 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.035 5.616 -6.460 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.598 6.099 -4.804 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.149 10.489 -5.566 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.247 9.660 -7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.438 9.718 -6.520 1.00 0.00 H new ATOM 1116 N ILE A 71 0.404 3.939 -7.309 1.00 0.00 N ATOM 1117 CA ILE A 71 0.227 2.963 -8.420 1.00 0.00 C ATOM 1118 C ILE A 71 -1.174 2.354 -8.313 1.00 0.00 C ATOM 1119 O ILE A 71 -1.596 1.935 -7.256 1.00 0.00 O ATOM 1120 CB ILE A 71 1.284 1.860 -8.310 1.00 0.00 C ATOM 1121 CG1 ILE A 71 2.639 2.411 -8.761 1.00 0.00 C ATOM 1122 CG2 ILE A 71 0.892 0.681 -9.204 1.00 0.00 C ATOM 1123 CD1 ILE A 71 3.763 1.569 -8.154 1.00 0.00 C ATOM 0 H ILE A 71 0.462 3.528 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 71 0.342 3.464 -9.381 1.00 0.00 H new ATOM 0 HB ILE A 71 1.350 1.523 -7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.706 2.395 -9.849 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.742 3.451 -8.451 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.646 -0.103 -9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.074 0.289 -8.886 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.825 1.016 -10.239 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.727 1.963 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.700 1.608 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.664 0.536 -8.486 1.00 0.00 H new ATOM 1135 N THR A 72 -1.907 2.315 -9.392 1.00 0.00 N ATOM 1136 CA THR A 72 -3.284 1.748 -9.329 1.00 0.00 C ATOM 1137 C THR A 72 -3.276 0.286 -9.781 1.00 0.00 C ATOM 1138 O THR A 72 -2.755 -0.050 -10.827 1.00 0.00 O ATOM 1139 CB THR A 72 -4.209 2.556 -10.240 1.00 0.00 C ATOM 1140 OG1 THR A 72 -4.331 3.879 -9.735 1.00 0.00 O ATOM 1141 CG2 THR A 72 -5.587 1.895 -10.286 1.00 0.00 C ATOM 0 H THR A 72 -1.614 2.649 -10.310 1.00 0.00 H new ATOM 0 HA THR A 72 -3.641 1.799 -8.300 1.00 0.00 H new ATOM 0 HB THR A 72 -3.791 2.589 -11.246 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.994 4.515 -10.400 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.246 2.472 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.491 0.881 -10.674 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.008 1.861 -9.281 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.861 -0.584 -9.003 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.901 -2.023 -9.386 1.00 0.00 C ATOM 1151 C VAL A 73 -5.325 -2.392 -9.807 1.00 0.00 C ATOM 1152 O VAL A 73 -6.251 -2.328 -9.022 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.485 -2.883 -8.192 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.644 -4.363 -8.547 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -2.023 -2.597 -7.844 1.00 0.00 C ATOM 0 H VAL A 73 -4.314 -0.359 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.215 -2.199 -10.214 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.117 -2.646 -7.336 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.347 -4.975 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.685 -4.568 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.013 -4.602 -9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.725 -3.209 -6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.392 -2.834 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.909 -1.543 -7.590 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.510 -2.775 -11.042 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.875 -3.143 -11.511 1.00 0.00 C ATOM 1167 C ARG A 74 -7.540 -4.069 -10.488 1.00 0.00 C ATOM 1168 O ARG A 74 -6.865 -4.754 -9.745 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.773 -3.862 -12.858 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.710 -2.828 -13.985 1.00 0.00 C ATOM 1171 CD ARG A 74 -8.130 -2.434 -14.397 1.00 0.00 C ATOM 1172 NE ARG A 74 -8.070 -1.512 -15.566 1.00 0.00 N ATOM 1173 CZ ARG A 74 -9.068 -1.459 -16.406 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -9.665 -2.557 -16.778 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -9.466 -0.308 -16.874 1.00 0.00 N ATOM 0 H ARG A 74 -4.775 -2.849 -11.745 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.474 -2.240 -11.623 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.885 -4.493 -12.879 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.633 -4.517 -12.999 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.158 -1.948 -13.655 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.173 -3.239 -14.840 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.706 -3.324 -14.651 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.641 -1.950 -13.564 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.250 -0.923 -15.710 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.352 -3.457 -16.413 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.445 -2.516 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.997 0.550 -16.584 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.246 -0.266 -17.530 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.848 -4.057 -10.481 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.648 -4.885 -9.561 1.00 0.00 C ATOM 1191 C PRO A 75 -9.706 -6.334 -10.055 1.00 0.00 C ATOM 1192 O PRO A 75 -9.443 -6.618 -11.207 1.00 0.00 O ATOM 1193 CB PRO A 75 -11.034 -4.238 -9.608 1.00 0.00 C ATOM 1194 CG PRO A 75 -11.107 -3.458 -10.944 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.653 -3.216 -11.391 1.00 0.00 C ATOM 0 HA PRO A 75 -9.235 -4.925 -8.553 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.818 -4.994 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.180 -3.570 -8.759 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.654 -4.027 -11.696 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.635 -2.513 -10.813 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.504 -3.501 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.380 -2.164 -11.306 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.050 -7.250 -9.191 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.125 -8.678 -9.610 1.00 0.00 C ATOM 1205 C TYR A 76 -10.935 -8.792 -10.904 1.00 0.00 C ATOM 1206 O TYR A 76 -10.790 -9.733 -11.658 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.805 -9.497 -8.511 1.00 0.00 C ATOM 1208 CG TYR A 76 -10.663 -10.968 -8.820 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -9.389 -11.535 -8.959 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -11.806 -11.766 -8.968 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -9.257 -12.899 -9.247 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -11.673 -13.132 -9.256 1.00 0.00 C ATOM 1213 CZ TYR A 76 -10.400 -13.698 -9.396 1.00 0.00 C ATOM 1214 OH TYR A 76 -10.269 -15.042 -9.679 1.00 0.00 O ATOM 0 H TYR A 76 -10.282 -7.071 -8.214 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.117 -9.058 -9.778 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.355 -9.272 -7.544 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.859 -9.229 -8.442 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.509 -10.920 -8.844 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.788 -11.329 -8.860 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.275 -13.336 -9.354 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.553 -13.748 -9.370 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.157 -15.450 -9.749 1.00 0.00 H new ATOM 1224 N GLY A 77 -11.788 -7.838 -11.166 1.00 0.00 N ATOM 1225 CA GLY A 77 -12.605 -7.895 -12.411 1.00 0.00 C ATOM 1226 C GLY A 77 -14.084 -7.714 -12.063 1.00 0.00 C ATOM 1227 O GLY A 77 -14.950 -8.325 -12.656 1.00 0.00 O ATOM 0 H GLY A 77 -11.954 -7.024 -10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.286 -7.116 -13.103 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.454 -8.850 -12.914 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.380 -6.876 -11.108 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.804 -6.656 -10.726 1.00 0.00 C ATOM 1233 C LEU A 78 -16.340 -5.421 -11.450 1.00 0.00 C ATOM 1234 O LEU A 78 -17.504 -5.345 -11.790 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.898 -6.443 -9.214 1.00 0.00 C ATOM 1236 CG LEU A 78 -15.515 -7.736 -8.493 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -14.246 -7.508 -7.671 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -16.656 -8.157 -7.565 1.00 0.00 C ATOM 0 H LEU A 78 -13.699 -6.335 -10.576 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.396 -7.527 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.235 -5.633 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.911 -6.147 -8.940 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.333 -8.521 -9.227 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -13.974 -8.430 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.433 -7.208 -8.332 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.425 -6.723 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.385 -9.079 -7.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.837 -7.371 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.560 -8.321 -8.151 1.00 0.00 H new ATOM 1250 N GLU A 79 -15.500 -4.452 -11.688 1.00 0.00 N ATOM 1251 CA GLU A 79 -15.959 -3.224 -12.388 1.00 0.00 C ATOM 1252 C GLU A 79 -14.801 -2.655 -13.211 1.00 0.00 C ATOM 1253 O GLU A 79 -14.011 -3.385 -13.777 1.00 0.00 O ATOM 1254 CB GLU A 79 -16.418 -2.196 -11.352 1.00 0.00 C ATOM 1255 CG GLU A 79 -17.474 -1.282 -11.975 1.00 0.00 C ATOM 1256 CD GLU A 79 -17.225 0.161 -11.534 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -16.164 0.418 -10.989 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -18.098 0.986 -11.748 1.00 0.00 O ATOM 0 H GLU A 79 -14.514 -4.459 -11.427 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.791 -3.460 -13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -16.829 -2.702 -10.479 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.568 -1.606 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -17.436 -1.353 -13.062 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -18.471 -1.600 -11.670 1.00 0.00 H new ATOM 1265 N ASN A 80 -14.694 -1.360 -13.282 1.00 0.00 N ATOM 1266 CA ASN A 80 -13.589 -0.743 -14.067 1.00 0.00 C ATOM 1267 C ASN A 80 -13.183 0.583 -13.419 1.00 0.00 C ATOM 1268 O ASN A 80 -14.016 1.338 -12.959 1.00 0.00 O ATOM 1269 CB ASN A 80 -14.063 -0.490 -15.501 1.00 0.00 C ATOM 1270 CG ASN A 80 -15.167 0.568 -15.495 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -14.891 1.751 -15.489 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -16.417 0.190 -15.496 1.00 0.00 N ATOM 0 H ASN A 80 -15.325 -0.699 -12.829 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.732 -1.416 -14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -13.228 -0.156 -16.117 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -14.434 -1.416 -15.941 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.161 0.888 -15.492 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.649 -0.803 -15.501 1.00 0.00 H new ATOM 1279 N VAL A 81 -11.911 0.872 -13.379 1.00 0.00 N ATOM 1280 CA VAL A 81 -11.460 2.151 -12.758 1.00 0.00 C ATOM 1281 C VAL A 81 -11.881 3.323 -13.651 1.00 0.00 C ATOM 1282 O VAL A 81 -11.840 3.221 -14.861 1.00 0.00 O ATOM 1283 CB VAL A 81 -9.935 2.146 -12.611 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.535 3.026 -11.426 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -9.444 0.716 -12.370 1.00 0.00 C ATOM 0 H VAL A 81 -11.166 0.281 -13.748 1.00 0.00 H new ATOM 0 HA VAL A 81 -11.916 2.256 -11.773 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.484 2.534 -13.524 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.450 3.023 -11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.880 4.046 -11.597 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.989 2.637 -10.515 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.359 0.717 -12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.896 0.325 -11.458 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.727 0.087 -13.214 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.277 4.403 -13.026 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.717 5.614 -13.739 1.00 0.00 C ATOM 1297 C PRO A 82 -11.506 6.419 -14.228 1.00 0.00 C ATOM 1298 O PRO A 82 -10.380 6.100 -13.902 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.496 6.393 -12.675 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.988 5.886 -11.303 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.327 4.518 -11.554 1.00 0.00 C ATOM 0 HA PRO A 82 -13.314 5.397 -14.625 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -13.329 7.465 -12.779 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.568 6.226 -12.778 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.274 6.587 -10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.812 5.794 -10.595 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.329 4.472 -11.117 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.907 3.708 -11.111 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.781 7.441 -14.998 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.739 8.323 -15.558 1.00 0.00 C ATOM 1311 C PRO A 83 -10.271 9.352 -14.520 1.00 0.00 C ATOM 1312 O PRO A 83 -9.698 10.369 -14.860 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.452 9.022 -16.719 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.968 8.949 -16.410 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.157 7.809 -15.390 1.00 0.00 C ATOM 0 HA PRO A 83 -9.846 7.778 -15.865 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -11.124 10.057 -16.809 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.225 8.532 -17.666 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -13.326 9.895 -16.004 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.539 8.755 -17.318 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.742 8.137 -14.530 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.685 6.964 -15.831 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.509 9.106 -13.258 1.00 0.00 N ATOM 1324 CA GLU A 84 -10.074 10.080 -12.218 1.00 0.00 C ATOM 1325 C GLU A 84 -8.768 9.604 -11.579 1.00 0.00 C ATOM 1326 O GLU A 84 -8.146 10.315 -10.815 1.00 0.00 O ATOM 1327 CB GLU A 84 -11.157 10.192 -11.142 1.00 0.00 C ATOM 1328 CG GLU A 84 -11.964 11.473 -11.362 1.00 0.00 C ATOM 1329 CD GLU A 84 -12.473 11.992 -10.016 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -12.069 11.448 -9.002 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -13.259 12.925 -10.021 1.00 0.00 O ATOM 0 H GLU A 84 -10.984 8.275 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.915 11.054 -12.680 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.815 9.324 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.701 10.202 -10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.343 12.228 -11.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.803 11.277 -12.029 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.345 8.408 -11.881 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.078 7.896 -11.286 1.00 0.00 C ATOM 1340 C LEU A 85 -5.943 8.030 -12.304 1.00 0.00 C ATOM 1341 O LEU A 85 -4.883 8.539 -12.000 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.249 6.424 -10.903 1.00 0.00 C ATOM 1343 CG LEU A 85 -7.439 6.309 -9.389 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -8.191 5.019 -9.063 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -6.070 6.287 -8.704 1.00 0.00 C ATOM 0 H LEU A 85 -8.820 7.764 -12.513 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.837 8.476 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.109 6.000 -11.421 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.375 5.852 -11.215 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.013 7.163 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.325 4.939 -7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.166 5.033 -9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.619 4.164 -9.422 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.204 6.205 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.497 5.433 -9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.533 7.207 -8.934 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.156 7.578 -13.508 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.088 7.682 -14.542 1.00 0.00 C ATOM 1359 C GLU A 86 -4.611 9.133 -14.640 1.00 0.00 C ATOM 1360 O GLU A 86 -3.525 9.409 -15.113 1.00 0.00 O ATOM 1361 CB GLU A 86 -5.644 7.235 -15.895 1.00 0.00 C ATOM 1362 CG GLU A 86 -7.017 7.871 -16.116 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.952 8.828 -17.308 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -6.633 9.986 -17.095 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -7.224 8.387 -18.412 1.00 0.00 O ATOM 0 H GLU A 86 -7.023 7.141 -13.821 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.250 7.043 -14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.963 7.527 -16.695 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.725 6.148 -15.926 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.763 7.097 -16.298 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.328 8.409 -15.221 1.00 0.00 H new ATOM 1372 N ALA A 87 -5.412 10.063 -14.197 1.00 0.00 N ATOM 1373 CA ALA A 87 -5.001 11.495 -14.265 1.00 0.00 C ATOM 1374 C ALA A 87 -3.939 11.770 -13.200 1.00 0.00 C ATOM 1375 O ALA A 87 -2.861 12.250 -13.493 1.00 0.00 O ATOM 1376 CB ALA A 87 -6.218 12.387 -14.014 1.00 0.00 C ATOM 0 H ALA A 87 -6.332 9.894 -13.791 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.591 11.710 -15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.918 13.434 -14.064 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.976 12.190 -14.772 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.628 12.173 -13.027 1.00 0.00 H new ATOM 1382 N VAL A 88 -4.231 11.469 -11.964 1.00 0.00 N ATOM 1383 CA VAL A 88 -3.237 11.712 -10.881 1.00 0.00 C ATOM 1384 C VAL A 88 -2.496 10.411 -10.571 1.00 0.00 C ATOM 1385 O VAL A 88 -2.009 10.206 -9.477 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.961 12.200 -9.624 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.616 13.552 -9.906 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -5.037 11.184 -9.231 1.00 0.00 C ATOM 0 H VAL A 88 -5.116 11.065 -11.658 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.523 12.469 -11.205 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.245 12.306 -8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.132 13.900 -9.011 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.851 14.275 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.333 13.446 -10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.554 11.530 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.753 11.079 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.571 10.219 -9.031 1.00 0.00 H new ATOM 1398 N SER A 89 -2.407 9.528 -11.529 1.00 0.00 N ATOM 1399 CA SER A 89 -1.699 8.239 -11.290 1.00 0.00 C ATOM 1400 C SER A 89 -0.311 8.292 -11.929 1.00 0.00 C ATOM 1401 O SER A 89 -0.117 8.884 -12.972 1.00 0.00 O ATOM 1402 CB SER A 89 -2.502 7.096 -11.916 1.00 0.00 C ATOM 1403 OG SER A 89 -3.525 6.681 -11.016 1.00 0.00 O ATOM 0 H SER A 89 -2.794 9.644 -12.466 1.00 0.00 H new ATOM 0 HA SER A 89 -1.599 8.073 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.943 7.421 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 89 -1.843 6.258 -12.145 1.00 0.00 H new ATOM 0 HG SER A 89 -4.139 7.427 -10.853 1.00 0.00 H new ATOM 1409 N SER A 90 0.659 7.673 -11.311 1.00 0.00 N ATOM 1410 CA SER A 90 2.034 7.684 -11.883 1.00 0.00 C ATOM 1411 C SER A 90 2.280 6.371 -12.629 1.00 0.00 C ATOM 1412 O SER A 90 3.034 6.316 -13.580 1.00 0.00 O ATOM 1413 CB SER A 90 3.055 7.827 -10.755 1.00 0.00 C ATOM 1414 OG SER A 90 4.321 8.164 -11.308 1.00 0.00 O ATOM 0 H SER A 90 0.557 7.161 -10.435 1.00 0.00 H new ATOM 0 HA SER A 90 2.136 8.522 -12.572 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.734 8.598 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.127 6.896 -10.193 1.00 0.00 H new ATOM 0 HG SER A 90 4.978 8.258 -10.587 1.00 0.00 H new ATOM 1420 N GLU A 91 1.647 5.313 -12.203 1.00 0.00 N ATOM 1421 CA GLU A 91 1.837 4.000 -12.882 1.00 0.00 C ATOM 1422 C GLU A 91 0.585 3.144 -12.681 1.00 0.00 C ATOM 1423 O GLU A 91 -0.156 3.327 -11.735 1.00 0.00 O ATOM 1424 CB GLU A 91 3.049 3.285 -12.283 1.00 0.00 C ATOM 1425 CG GLU A 91 4.273 3.524 -13.169 1.00 0.00 C ATOM 1426 CD GLU A 91 5.200 4.541 -12.498 1.00 0.00 C ATOM 1427 OE1 GLU A 91 5.364 4.458 -11.293 1.00 0.00 O ATOM 1428 OE2 GLU A 91 5.728 5.386 -13.203 1.00 0.00 O ATOM 0 H GLU A 91 1.004 5.301 -11.411 1.00 0.00 H new ATOM 0 HA GLU A 91 2.004 4.159 -13.947 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.240 3.653 -11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 91 2.850 2.217 -12.200 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.804 2.586 -13.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.961 3.891 -14.147 1.00 0.00 H new ATOM 1435 N VAL A 92 0.340 2.212 -13.560 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.868 1.353 -13.412 1.00 0.00 C ATOM 1437 C VAL A 92 -0.533 -0.080 -13.832 1.00 0.00 C ATOM 1438 O VAL A 92 0.027 -0.315 -14.884 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.989 1.895 -14.298 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -2.534 3.192 -13.695 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -1.438 2.175 -15.698 1.00 0.00 C ATOM 0 H VAL A 92 0.922 2.008 -14.372 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.191 1.359 -12.371 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.791 1.160 -14.362 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.334 3.579 -14.327 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.924 2.993 -12.697 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.733 3.929 -13.632 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.236 2.562 -16.332 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.637 2.911 -15.633 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.049 1.252 -16.127 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.874 -1.040 -13.016 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.578 -2.458 -13.368 1.00 0.00 C ATOM 1453 C VAL A 93 -1.812 -3.318 -13.092 1.00 0.00 C ATOM 1454 O VAL A 93 -2.877 -2.816 -12.794 1.00 0.00 O ATOM 1455 CB VAL A 93 0.593 -2.961 -12.520 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.856 -2.175 -12.876 1.00 0.00 C ATOM 1457 CG2 VAL A 93 0.270 -2.761 -11.038 1.00 0.00 C ATOM 0 H VAL A 93 -1.345 -0.904 -12.121 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.316 -2.524 -14.424 1.00 0.00 H new ATOM 0 HB VAL A 93 0.757 -4.020 -12.718 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.690 -2.533 -12.272 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.086 -2.315 -13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.693 -1.116 -12.678 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.103 -3.119 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.107 -1.701 -10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.630 -3.320 -10.783 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.677 -4.613 -13.187 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.842 -5.504 -12.928 1.00 0.00 C ATOM 1469 C GLY A 94 -2.402 -6.681 -12.057 1.00 0.00 C ATOM 1470 O GLY A 94 -1.536 -6.553 -11.215 1.00 0.00 O ATOM 0 H GLY A 94 -0.810 -5.092 -13.433 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.636 -4.947 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.251 -5.868 -13.870 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.994 -7.827 -12.251 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.610 -9.011 -11.433 1.00 0.00 C ATOM 1476 C TRP A 95 -1.472 -9.763 -12.126 1.00 0.00 C ATOM 1477 O TRP A 95 -1.652 -10.855 -12.627 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.815 -9.940 -11.280 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.876 -9.253 -10.482 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.793 -8.395 -10.985 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -5.145 -9.350 -9.053 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.609 -7.959 -9.956 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -6.249 -8.519 -8.747 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.543 -10.070 -8.003 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.740 -8.407 -7.445 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -5.034 -9.961 -6.691 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -6.131 -9.130 -6.413 1.00 0.00 C ATOM 0 H TRP A 95 -3.727 -7.995 -12.940 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.280 -8.679 -10.448 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.203 -10.214 -12.261 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.515 -10.864 -10.786 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.875 -8.099 -12.020 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.382 -7.304 -10.076 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.698 -10.711 -8.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.584 -7.767 -7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.566 -10.519 -5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.505 -9.049 -5.403 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.303 -9.187 -12.159 1.00 0.00 N ATOM 1499 CA ASN A 96 0.844 -9.869 -12.820 1.00 0.00 C ATOM 1500 C ASN A 96 2.122 -9.618 -12.012 1.00 0.00 C ATOM 1501 O ASN A 96 2.263 -8.586 -11.385 1.00 0.00 O ATOM 1502 CB ASN A 96 1.019 -9.318 -14.236 1.00 0.00 C ATOM 1503 CG ASN A 96 0.149 -10.119 -15.207 1.00 0.00 C ATOM 1504 OD1 ASN A 96 -0.835 -10.712 -14.811 1.00 0.00 O ATOM 1505 ND2 ASN A 96 0.472 -10.161 -16.470 1.00 0.00 N ATOM 0 H ASN A 96 -0.092 -8.274 -11.757 1.00 0.00 H new ATOM 0 HA ASN A 96 0.650 -10.940 -12.869 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.740 -8.265 -14.265 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.066 -9.378 -14.534 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.101 -10.692 -17.126 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.298 -9.663 -16.802 1.00 0.00 H new ATOM 1512 N PRO A 97 3.015 -10.573 -12.054 1.00 0.00 N ATOM 1513 CA PRO A 97 4.299 -10.494 -11.335 1.00 0.00 C ATOM 1514 C PRO A 97 5.281 -9.597 -12.095 1.00 0.00 C ATOM 1515 O PRO A 97 6.031 -8.844 -11.507 1.00 0.00 O ATOM 1516 CB PRO A 97 4.788 -11.945 -11.316 1.00 0.00 C ATOM 1517 CG PRO A 97 4.074 -12.662 -12.486 1.00 0.00 C ATOM 1518 CD PRO A 97 2.827 -11.822 -12.822 1.00 0.00 C ATOM 0 HA PRO A 97 4.207 -10.067 -10.336 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.871 -11.992 -11.435 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.551 -12.422 -10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.732 -12.741 -13.351 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.793 -13.677 -12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.756 -11.625 -13.892 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.911 -12.335 -12.530 1.00 0.00 H new ATOM 1526 N HIS A 98 5.282 -9.675 -13.398 1.00 0.00 N ATOM 1527 CA HIS A 98 6.213 -8.831 -14.196 1.00 0.00 C ATOM 1528 C HIS A 98 5.717 -7.383 -14.198 1.00 0.00 C ATOM 1529 O HIS A 98 6.489 -6.452 -14.077 1.00 0.00 O ATOM 1530 CB HIS A 98 6.267 -9.354 -15.633 1.00 0.00 C ATOM 1531 CG HIS A 98 6.861 -10.736 -15.642 1.00 0.00 C ATOM 1532 ND1 HIS A 98 6.896 -11.519 -16.784 1.00 0.00 N ATOM 1533 CD2 HIS A 98 7.447 -11.488 -14.654 1.00 0.00 C ATOM 1534 CE1 HIS A 98 7.483 -12.685 -16.459 1.00 0.00 C ATOM 1535 NE2 HIS A 98 7.838 -12.719 -15.172 1.00 0.00 N ATOM 0 H HIS A 98 4.677 -10.288 -13.944 1.00 0.00 H new ATOM 0 HA HIS A 98 7.209 -8.872 -13.755 1.00 0.00 H new ATOM 0 HB2 HIS A 98 5.265 -9.375 -16.062 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.865 -8.686 -16.252 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.584 -11.172 -13.630 1.00 0.00 H new ATOM 0 HE1 HIS A 98 7.647 -13.495 -17.154 1.00 0.00 H new ATOM 0 HE2 HIS A 98 8.297 -13.483 -14.676 1.00 0.00 H new ATOM 1543 N CYS A 99 4.435 -7.187 -14.335 1.00 0.00 N ATOM 1544 CA CYS A 99 3.890 -5.799 -14.345 1.00 0.00 C ATOM 1545 C CYS A 99 4.296 -5.081 -13.057 1.00 0.00 C ATOM 1546 O CYS A 99 4.958 -4.061 -13.085 1.00 0.00 O ATOM 1547 CB CYS A 99 2.363 -5.853 -14.438 1.00 0.00 C ATOM 1548 SG CYS A 99 1.855 -5.639 -16.162 1.00 0.00 S ATOM 0 H CYS A 99 3.741 -7.927 -14.440 1.00 0.00 H new ATOM 0 HA CYS A 99 4.289 -5.258 -15.203 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.998 -6.807 -14.056 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.922 -5.072 -13.818 1.00 0.00 H new ATOM 0 HG CYS A 99 0.558 -5.687 -16.241 1.00 0.00 H new ATOM 1554 N ILE A 100 3.906 -5.603 -11.927 1.00 0.00 N ATOM 1555 CA ILE A 100 4.269 -4.951 -10.638 1.00 0.00 C ATOM 1556 C ILE A 100 5.779 -4.703 -10.595 1.00 0.00 C ATOM 1557 O ILE A 100 6.244 -3.760 -9.987 1.00 0.00 O ATOM 1558 CB ILE A 100 3.868 -5.863 -9.475 1.00 0.00 C ATOM 1559 CG1 ILE A 100 2.340 -5.933 -9.388 1.00 0.00 C ATOM 1560 CG2 ILE A 100 4.426 -5.303 -8.165 1.00 0.00 C ATOM 1561 CD1 ILE A 100 1.937 -6.907 -8.280 1.00 0.00 C ATOM 0 H ILE A 100 3.351 -6.454 -11.841 1.00 0.00 H new ATOM 0 HA ILE A 100 3.744 -4.000 -10.553 1.00 0.00 H new ATOM 0 HB ILE A 100 4.272 -6.861 -9.642 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.931 -4.944 -9.184 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.925 -6.259 -10.342 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.139 -5.954 -7.339 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.513 -5.251 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.024 -4.304 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.850 -6.957 -8.217 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.334 -7.897 -8.504 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.340 -6.562 -7.328 1.00 0.00 H new ATOM 1573 N ARG A 101 6.547 -5.542 -11.233 1.00 0.00 N ATOM 1574 CA ARG A 101 8.026 -5.352 -11.224 1.00 0.00 C ATOM 1575 C ARG A 101 8.392 -4.113 -12.044 1.00 0.00 C ATOM 1576 O ARG A 101 9.287 -3.369 -11.695 1.00 0.00 O ATOM 1577 CB ARG A 101 8.702 -6.583 -11.835 1.00 0.00 C ATOM 1578 CG ARG A 101 8.656 -7.741 -10.837 1.00 0.00 C ATOM 1579 CD ARG A 101 8.927 -9.057 -11.569 1.00 0.00 C ATOM 1580 NE ARG A 101 10.244 -9.604 -11.138 1.00 0.00 N ATOM 1581 CZ ARG A 101 10.886 -10.444 -11.904 1.00 0.00 C ATOM 1582 NH1 ARG A 101 11.399 -10.035 -13.032 1.00 0.00 N ATOM 1583 NH2 ARG A 101 11.011 -11.691 -11.543 1.00 0.00 N ATOM 0 H ARG A 101 6.216 -6.350 -11.760 1.00 0.00 H new ATOM 0 HA ARG A 101 8.366 -5.219 -10.197 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.198 -6.866 -12.759 1.00 0.00 H new ATOM 0 HB3 ARG A 101 9.736 -6.353 -12.093 1.00 0.00 H new ATOM 0 HG2 ARG A 101 9.398 -7.589 -10.053 1.00 0.00 H new ATOM 0 HG3 ARG A 101 7.681 -7.777 -10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 101 8.135 -9.775 -11.354 1.00 0.00 H new ATOM 0 HD3 ARG A 101 8.924 -8.893 -12.647 1.00 0.00 H new ATOM 0 HE ARG A 101 10.645 -9.322 -10.243 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.298 -9.060 -13.314 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.901 -10.690 -13.631 1.00 0.00 H new ATOM 0 HH21 ARG A 101 10.607 -12.010 -10.662 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.513 -12.347 -12.141 1.00 0.00 H new ATOM 1597 N ASP A 102 7.709 -3.885 -13.133 1.00 0.00 N ATOM 1598 CA ASP A 102 8.022 -2.695 -13.976 1.00 0.00 C ATOM 1599 C ASP A 102 7.714 -1.414 -13.196 1.00 0.00 C ATOM 1600 O ASP A 102 8.474 -0.467 -13.215 1.00 0.00 O ATOM 1601 CB ASP A 102 7.171 -2.733 -15.247 1.00 0.00 C ATOM 1602 CG ASP A 102 7.339 -1.421 -16.015 1.00 0.00 C ATOM 1603 OD1 ASP A 102 6.623 -0.482 -15.709 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.181 -1.378 -16.897 1.00 0.00 O ATOM 0 H ASP A 102 6.948 -4.471 -13.476 1.00 0.00 H new ATOM 0 HA ASP A 102 9.079 -2.710 -14.243 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.471 -3.574 -15.873 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.122 -2.885 -14.991 1.00 0.00 H new ATOM 1609 N ALA A 103 6.601 -1.376 -12.514 1.00 0.00 N ATOM 1610 CA ALA A 103 6.244 -0.154 -11.739 1.00 0.00 C ATOM 1611 C ALA A 103 7.164 -0.028 -10.522 1.00 0.00 C ATOM 1612 O ALA A 103 7.372 1.048 -10.000 1.00 0.00 O ATOM 1613 CB ALA A 103 4.790 -0.255 -11.271 1.00 0.00 C ATOM 0 H ALA A 103 5.925 -2.138 -12.460 1.00 0.00 H new ATOM 0 HA ALA A 103 6.363 0.724 -12.374 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.527 0.638 -10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.134 -0.341 -12.137 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.672 -1.134 -10.638 1.00 0.00 H new ATOM 1619 N LEU A 104 7.715 -1.119 -10.066 1.00 0.00 N ATOM 1620 CA LEU A 104 8.619 -1.057 -8.882 1.00 0.00 C ATOM 1621 C LEU A 104 9.963 -0.451 -9.294 1.00 0.00 C ATOM 1622 O LEU A 104 10.360 0.588 -8.808 1.00 0.00 O ATOM 1623 CB LEU A 104 8.843 -2.469 -8.335 1.00 0.00 C ATOM 1624 CG LEU A 104 9.601 -2.389 -7.009 1.00 0.00 C ATOM 1625 CD1 LEU A 104 8.913 -1.381 -6.087 1.00 0.00 C ATOM 1626 CD2 LEU A 104 9.607 -3.766 -6.343 1.00 0.00 C ATOM 0 H LEU A 104 7.579 -2.050 -10.461 1.00 0.00 H new ATOM 0 HA LEU A 104 8.162 -0.436 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.886 -2.970 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.408 -3.063 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 104 10.626 -2.069 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.453 -1.324 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.907 -0.399 -6.561 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.888 -1.700 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.147 -3.711 -5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.581 -4.085 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.097 -4.485 -6.999 1.00 0.00 H new ATOM 1638 N GLU A 105 10.666 -1.093 -10.187 1.00 0.00 N ATOM 1639 CA GLU A 105 11.982 -0.550 -10.628 1.00 0.00 C ATOM 1640 C GLU A 105 11.795 0.869 -11.169 1.00 0.00 C ATOM 1641 O GLU A 105 12.738 1.623 -11.300 1.00 0.00 O ATOM 1642 CB GLU A 105 12.560 -1.442 -11.728 1.00 0.00 C ATOM 1643 CG GLU A 105 13.995 -1.010 -12.035 1.00 0.00 C ATOM 1644 CD GLU A 105 14.579 -1.914 -13.122 1.00 0.00 C ATOM 1645 OE1 GLU A 105 14.872 -3.059 -12.818 1.00 0.00 O ATOM 1646 OE2 GLU A 105 14.725 -1.446 -14.238 1.00 0.00 O ATOM 0 H GLU A 105 10.386 -1.968 -10.629 1.00 0.00 H new ATOM 0 HA GLU A 105 12.667 -0.528 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.543 -2.485 -11.411 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.948 -1.372 -12.627 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.011 0.029 -12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.604 -1.068 -11.133 1.00 0.00 H new ATOM 1653 N ASP A 106 10.583 1.240 -11.483 1.00 0.00 N ATOM 1654 CA ASP A 106 10.339 2.611 -12.015 1.00 0.00 C ATOM 1655 C ASP A 106 10.581 3.637 -10.907 1.00 0.00 C ATOM 1656 O ASP A 106 11.117 4.703 -11.139 1.00 0.00 O ATOM 1657 CB ASP A 106 8.894 2.719 -12.504 1.00 0.00 C ATOM 1658 CG ASP A 106 8.852 3.558 -13.782 1.00 0.00 C ATOM 1659 OD1 ASP A 106 9.625 4.498 -13.874 1.00 0.00 O ATOM 1660 OD2 ASP A 106 8.048 3.248 -14.645 1.00 0.00 O ATOM 0 H ASP A 106 9.753 0.654 -11.394 1.00 0.00 H new ATOM 0 HA ASP A 106 11.018 2.805 -12.845 1.00 0.00 H new ATOM 0 HB2 ASP A 106 8.488 1.726 -12.694 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.271 3.176 -11.735 1.00 0.00 H new ATOM 1665 N ALA A 107 10.188 3.326 -9.702 1.00 0.00 N ATOM 1666 CA ALA A 107 10.396 4.283 -8.580 1.00 0.00 C ATOM 1667 C ALA A 107 11.893 4.408 -8.287 1.00 0.00 C ATOM 1668 O ALA A 107 12.358 5.421 -7.801 1.00 0.00 O ATOM 1669 CB ALA A 107 9.670 3.772 -7.333 1.00 0.00 C ATOM 0 H ALA A 107 9.732 2.450 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 107 9.998 5.260 -8.856 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.822 4.472 -6.511 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.604 3.684 -7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.067 2.795 -7.056 1.00 0.00 H new ATOM 1675 N LEU A 108 12.653 3.387 -8.578 1.00 0.00 N ATOM 1676 CA LEU A 108 14.118 3.451 -8.316 1.00 0.00 C ATOM 1677 C LEU A 108 14.750 4.501 -9.232 1.00 0.00 C ATOM 1678 O LEU A 108 15.158 5.558 -8.793 1.00 0.00 O ATOM 1679 CB LEU A 108 14.746 2.084 -8.597 1.00 0.00 C ATOM 1680 CG LEU A 108 16.271 2.190 -8.515 1.00 0.00 C ATOM 1681 CD1 LEU A 108 16.703 2.236 -7.049 1.00 0.00 C ATOM 1682 CD2 LEU A 108 16.901 0.972 -9.194 1.00 0.00 C ATOM 0 H LEU A 108 12.322 2.512 -8.985 1.00 0.00 H new ATOM 0 HA LEU A 108 14.292 3.723 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.383 1.351 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 108 14.449 1.733 -9.585 1.00 0.00 H new ATOM 0 HG LEU A 108 16.600 3.100 -9.018 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.789 2.311 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.253 3.102 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 108 16.375 1.327 -6.544 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.987 1.045 -9.137 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.571 0.063 -8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.594 0.939 -10.239 1.00 0.00 H new