USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -3.83! C(o=-3.8!,f=-2.4!) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.879 K(o=-0.88,f=-0.17) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -108:sc= -0.96 (180deg=-2.96!) USER MOD Single : A 41 MET CE :methyl -166:sc= -1.12 (180deg=-2.13) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -121:sc= -0.201 (180deg=-1.14) USER MOD Single : A 50 GLN : amide:sc= -0.395 X(o=-0.4,f=-0.45) USER MOD Single : A 54 LYS NZ :NH3+ -132:sc= 0.537 (180deg=0.212) USER MOD Single : A 55 GLN : amide:sc= -1.48 K(o=-1.5,f=-4!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.9!) USER MOD Single : A 67 GLN : amide:sc= -2.48! C(o=-2.5!,f=-2.2!) USER MOD Single : A 68 TYR OH : rot 180:sc=-0.00111 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.051 -12.959 -3.199 1.00 0.00 N ATOM 67 CA PRO A 8 -3.153 -11.903 -4.210 1.00 0.00 C ATOM 68 C PRO A 8 -2.239 -10.720 -3.906 1.00 0.00 C ATOM 69 O PRO A 8 -2.231 -10.200 -2.790 1.00 0.00 O ATOM 70 CB PRO A 8 -4.621 -11.478 -4.132 1.00 0.00 C ATOM 71 CG PRO A 8 -5.045 -11.831 -2.748 1.00 0.00 C ATOM 72 CD PRO A 8 -4.269 -13.064 -2.378 1.00 0.00 C ATOM 0 HA PRO A 8 -2.848 -12.252 -5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.735 -10.410 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.224 -11.999 -4.876 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.835 -11.016 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.118 -12.018 -2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.035 -13.088 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.828 -13.973 -2.602 1.00 0.00 H new ATOM 80 N LYS A 9 -1.471 -10.300 -4.905 1.00 0.00 N ATOM 81 CA LYS A 9 -0.555 -9.177 -4.746 1.00 0.00 C ATOM 82 C LYS A 9 -1.315 -7.897 -4.415 1.00 0.00 C ATOM 83 O LYS A 9 -1.914 -7.275 -5.292 1.00 0.00 O ATOM 84 CB LYS A 9 0.268 -8.979 -6.021 1.00 0.00 C ATOM 85 CG LYS A 9 1.352 -7.923 -5.888 1.00 0.00 C ATOM 86 CD LYS A 9 2.532 -8.218 -6.797 1.00 0.00 C ATOM 87 CE LYS A 9 3.825 -7.651 -6.233 1.00 0.00 C ATOM 88 NZ LYS A 9 4.858 -7.465 -7.290 1.00 0.00 N ATOM 0 H LYS A 9 -1.465 -10.721 -5.834 1.00 0.00 H new ATOM 0 HA LYS A 9 0.117 -9.404 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.729 -9.928 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.401 -8.700 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.939 -6.944 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.691 -7.877 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.632 -9.296 -6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.347 -7.794 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.622 -6.694 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.210 -8.320 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.724 -7.077 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.071 -8.382 -7.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.502 -6.806 -8.012 1.00 0.00 H new ATOM 102 N ALA A 10 -1.286 -7.508 -3.144 1.00 0.00 N ATOM 103 CA ALA A 10 -1.970 -6.300 -2.699 1.00 0.00 C ATOM 104 C ALA A 10 -1.611 -5.109 -3.582 1.00 0.00 C ATOM 105 O ALA A 10 -0.485 -4.610 -3.565 1.00 0.00 O ATOM 106 CB ALA A 10 -1.627 -6.005 -1.246 1.00 0.00 C ATOM 0 H ALA A 10 -0.796 -8.012 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.044 -6.469 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.144 -5.100 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.940 -6.842 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.551 -5.861 -1.148 1.00 0.00 H new ATOM 112 N PRO A 11 -2.588 -4.642 -4.373 1.00 0.00 N ATOM 113 CA PRO A 11 -2.398 -3.505 -5.278 1.00 0.00 C ATOM 114 C PRO A 11 -2.242 -2.187 -4.527 1.00 0.00 C ATOM 115 O PRO A 11 -3.015 -1.884 -3.617 1.00 0.00 O ATOM 116 CB PRO A 11 -3.682 -3.496 -6.111 1.00 0.00 C ATOM 117 CG PRO A 11 -4.699 -4.158 -5.247 1.00 0.00 C ATOM 118 CD PRO A 11 -3.953 -5.189 -4.445 1.00 0.00 C ATOM 0 HA PRO A 11 -1.489 -3.604 -5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.981 -2.479 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.549 -4.034 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.187 -3.434 -4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.480 -4.622 -5.849 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.387 -5.318 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.970 -6.165 -4.930 1.00 0.00 H new ATOM 126 N VAL A 12 -1.239 -1.406 -4.913 1.00 0.00 N ATOM 127 CA VAL A 12 -0.983 -0.119 -4.278 1.00 0.00 C ATOM 128 C VAL A 12 -2.224 0.766 -4.308 1.00 0.00 C ATOM 129 O VAL A 12 -3.024 0.702 -5.242 1.00 0.00 O ATOM 130 CB VAL A 12 0.181 0.624 -4.961 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.481 -0.146 -4.789 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.124 0.848 -6.435 1.00 0.00 C ATOM 0 H VAL A 12 -0.590 -1.642 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.713 -0.326 -3.242 1.00 0.00 H new ATOM 0 HB VAL A 12 0.298 1.597 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.291 0.394 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.704 -0.251 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.381 -1.134 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.708 1.374 -6.903 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.268 -0.114 -6.927 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.031 1.445 -6.532 1.00 0.00 H new ATOM 142 N THR A 13 -2.379 1.594 -3.280 1.00 0.00 N ATOM 143 CA THR A 13 -3.523 2.492 -3.188 1.00 0.00 C ATOM 144 C THR A 13 -3.360 3.687 -4.120 1.00 0.00 C ATOM 145 O THR A 13 -2.287 3.910 -4.680 1.00 0.00 O ATOM 146 CB THR A 13 -3.722 3.003 -1.748 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.627 3.846 -1.371 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.834 1.841 -0.773 1.00 0.00 C ATOM 0 H THR A 13 -1.726 1.661 -2.499 1.00 0.00 H new ATOM 0 HA THR A 13 -4.400 1.918 -3.487 1.00 0.00 H new ATOM 0 HB THR A 13 -4.649 3.576 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.762 4.168 -0.455 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.974 2.226 0.237 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.686 1.218 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.922 1.245 -0.811 1.00 0.00 H new ATOM 156 N GLY A 14 -4.434 4.455 -4.284 1.00 0.00 N ATOM 157 CA GLY A 14 -4.389 5.618 -5.150 1.00 0.00 C ATOM 158 C GLY A 14 -3.332 6.618 -4.723 1.00 0.00 C ATOM 159 O GLY A 14 -2.692 7.252 -5.563 1.00 0.00 O ATOM 0 H GLY A 14 -5.334 4.292 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.190 5.298 -6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.365 6.104 -5.152 1.00 0.00 H new ATOM 163 N TYR A 15 -3.148 6.761 -3.416 1.00 0.00 N ATOM 164 CA TYR A 15 -2.164 7.693 -2.879 1.00 0.00 C ATOM 165 C TYR A 15 -0.755 7.311 -3.318 1.00 0.00 C ATOM 166 O TYR A 15 0.080 8.173 -3.590 1.00 0.00 O ATOM 167 CB TYR A 15 -2.243 7.728 -1.352 1.00 0.00 C ATOM 168 CG TYR A 15 -1.136 8.530 -0.707 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.675 9.706 -1.284 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.550 8.111 0.482 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.338 10.442 -0.699 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.462 8.841 1.076 1.00 0.00 C ATOM 173 CZ TYR A 15 0.902 10.005 0.481 1.00 0.00 C ATOM 174 OH TYR A 15 1.909 10.736 1.069 1.00 0.00 O ATOM 0 H TYR A 15 -3.668 6.243 -2.708 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.390 8.685 -3.270 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.204 8.148 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.210 6.707 -0.971 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.116 10.052 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.892 7.199 0.950 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.686 11.353 -1.163 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.906 8.502 2.001 1.00 0.00 H new ATOM 0 HH TYR A 15 2.196 10.292 1.894 1.00 0.00 H new ATOM 184 N VAL A 16 -0.496 6.008 -3.386 1.00 0.00 N ATOM 185 CA VAL A 16 0.811 5.508 -3.795 1.00 0.00 C ATOM 186 C VAL A 16 0.944 5.493 -5.313 1.00 0.00 C ATOM 187 O VAL A 16 1.935 5.974 -5.865 1.00 0.00 O ATOM 188 CB VAL A 16 1.063 4.088 -3.254 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.425 3.580 -3.701 1.00 0.00 C ATOM 190 CG2 VAL A 16 0.947 4.067 -1.738 1.00 0.00 C ATOM 0 H VAL A 16 -1.175 5.280 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 16 1.554 6.186 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 16 0.303 3.422 -3.662 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.585 2.576 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.465 3.555 -4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.203 4.245 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.128 3.056 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.683 4.745 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.054 4.385 -1.445 1.00 0.00 H new ATOM 200 N ARG A 17 -0.060 4.939 -5.985 1.00 0.00 N ATOM 201 CA ARG A 17 -0.054 4.860 -7.440 1.00 0.00 C ATOM 202 C ARG A 17 0.471 6.156 -8.053 1.00 0.00 C ATOM 203 O ARG A 17 1.091 6.145 -9.116 1.00 0.00 O ATOM 204 CB ARG A 17 -1.463 4.572 -7.962 1.00 0.00 C ATOM 205 CG ARG A 17 -1.773 3.090 -8.093 1.00 0.00 C ATOM 206 CD ARG A 17 -3.202 2.857 -8.556 1.00 0.00 C ATOM 207 NE ARG A 17 -3.672 1.515 -8.230 1.00 0.00 N ATOM 208 CZ ARG A 17 -3.349 0.433 -8.930 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.558 0.537 -9.990 1.00 0.00 N ATOM 210 NH2 ARG A 17 -3.816 -0.756 -8.571 1.00 0.00 N ATOM 0 H ARG A 17 -0.888 4.538 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 17 0.609 4.045 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.190 5.029 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.585 5.047 -8.935 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.081 2.634 -8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.616 2.598 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.858 3.593 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.263 3.010 -9.633 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.282 1.401 -7.420 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.196 1.449 -10.269 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.311 -0.295 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -4.424 -0.840 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.567 -1.586 -9.110 1.00 0.00 H new ATOM 224 N PHE A 18 0.219 7.270 -7.374 1.00 0.00 N ATOM 225 CA PHE A 18 0.665 8.574 -7.852 1.00 0.00 C ATOM 226 C PHE A 18 2.114 8.834 -7.448 1.00 0.00 C ATOM 227 O PHE A 18 2.879 9.442 -8.197 1.00 0.00 O ATOM 228 CB PHE A 18 -0.238 9.679 -7.299 1.00 0.00 C ATOM 229 CG PHE A 18 0.431 11.022 -7.235 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.349 11.307 -6.237 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.140 12.000 -8.173 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.966 12.542 -6.176 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.755 13.236 -8.117 1.00 0.00 C ATOM 234 CZ PHE A 18 1.668 13.509 -7.116 1.00 0.00 C ATOM 0 H PHE A 18 -0.291 7.296 -6.491 1.00 0.00 H new ATOM 0 HA PHE A 18 0.604 8.576 -8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.129 9.755 -7.922 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.571 9.399 -6.299 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.585 10.555 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.575 11.794 -8.956 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.681 12.751 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.522 13.989 -8.856 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.147 14.476 -7.069 1.00 0.00 H new ATOM 244 N LEU A 19 2.482 8.371 -6.258 1.00 0.00 N ATOM 245 CA LEU A 19 3.839 8.554 -5.754 1.00 0.00 C ATOM 246 C LEU A 19 4.831 7.702 -6.539 1.00 0.00 C ATOM 247 O LEU A 19 5.996 8.067 -6.688 1.00 0.00 O ATOM 248 CB LEU A 19 3.904 8.194 -4.268 1.00 0.00 C ATOM 249 CG LEU A 19 3.151 9.126 -3.319 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.088 8.528 -1.922 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.810 10.497 -3.284 1.00 0.00 C ATOM 0 H LEU A 19 1.861 7.867 -5.625 1.00 0.00 H new ATOM 0 HA LEU A 19 4.109 9.602 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.512 7.185 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.951 8.169 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 19 2.132 9.243 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.548 9.205 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.571 7.569 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.099 8.380 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.261 11.147 -2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.839 10.397 -2.939 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.803 10.930 -4.284 1.00 0.00 H new ATOM 263 N ASN A 20 4.361 6.564 -7.040 1.00 0.00 N ATOM 264 CA ASN A 20 5.206 5.661 -7.811 1.00 0.00 C ATOM 265 C ASN A 20 5.547 6.263 -9.171 1.00 0.00 C ATOM 266 O ASN A 20 6.716 6.484 -9.488 1.00 0.00 O ATOM 267 CB ASN A 20 4.509 4.311 -8.000 1.00 0.00 C ATOM 268 CG ASN A 20 4.813 3.343 -6.873 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.973 3.030 -6.603 1.00 0.00 O ATOM 270 ND2 ASN A 20 3.768 2.863 -6.208 1.00 0.00 N ATOM 0 H ASN A 20 3.399 6.246 -6.925 1.00 0.00 H new ATOM 0 HA ASN A 20 6.132 5.510 -7.257 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.432 4.466 -8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.823 3.872 -8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.910 2.208 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.824 3.150 -6.466 1.00 0.00 H new ATOM 277 N GLU A 21 4.518 6.527 -9.970 1.00 0.00 N ATOM 278 CA GLU A 21 4.709 7.104 -11.296 1.00 0.00 C ATOM 279 C GLU A 21 5.492 8.412 -11.213 1.00 0.00 C ATOM 280 O GLU A 21 6.439 8.630 -11.969 1.00 0.00 O ATOM 281 CB GLU A 21 3.357 7.347 -11.971 1.00 0.00 C ATOM 282 CG GLU A 21 3.420 7.316 -13.488 1.00 0.00 C ATOM 283 CD GLU A 21 3.466 5.905 -14.042 1.00 0.00 C ATOM 284 OE1 GLU A 21 4.035 5.021 -13.369 1.00 0.00 O ATOM 285 OE2 GLU A 21 2.931 5.686 -15.149 1.00 0.00 O ATOM 0 H GLU A 21 3.544 6.351 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 21 5.282 6.395 -11.893 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.649 6.592 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.970 8.314 -11.652 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.551 7.834 -13.894 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.302 7.862 -13.822 1.00 0.00 H new ATOM 292 N ARG A 22 5.087 9.278 -10.289 1.00 0.00 N ATOM 293 CA ARG A 22 5.748 10.564 -10.108 1.00 0.00 C ATOM 294 C ARG A 22 7.194 10.375 -9.659 1.00 0.00 C ATOM 295 O ARG A 22 8.110 10.989 -10.206 1.00 0.00 O ATOM 296 CB ARG A 22 4.991 11.411 -9.082 1.00 0.00 C ATOM 297 CG ARG A 22 3.724 12.045 -9.632 1.00 0.00 C ATOM 298 CD ARG A 22 4.036 13.252 -10.502 1.00 0.00 C ATOM 299 NE ARG A 22 2.825 13.939 -10.941 1.00 0.00 N ATOM 300 CZ ARG A 22 2.812 14.880 -11.878 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.940 15.243 -12.472 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.669 15.459 -12.224 1.00 0.00 N ATOM 0 H ARG A 22 4.305 9.112 -9.655 1.00 0.00 H new ATOM 0 HA ARG A 22 5.749 11.081 -11.067 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.733 10.786 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.651 12.197 -8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.171 11.308 -10.215 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.079 12.347 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.665 13.947 -9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.607 12.932 -11.373 1.00 0.00 H new ATOM 0 HE ARG A 22 1.940 13.682 -10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.820 14.799 -12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.928 15.966 -13.191 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.799 15.181 -11.770 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.661 16.182 -12.944 1.00 0.00 H new ATOM 316 N ARG A 23 7.390 9.521 -8.659 1.00 0.00 N ATOM 317 CA ARG A 23 8.724 9.252 -8.135 1.00 0.00 C ATOM 318 C ARG A 23 9.722 9.045 -9.270 1.00 0.00 C ATOM 319 O ARG A 23 10.925 9.243 -9.096 1.00 0.00 O ATOM 320 CB ARG A 23 8.700 8.018 -7.231 1.00 0.00 C ATOM 321 CG ARG A 23 10.054 7.343 -7.087 1.00 0.00 C ATOM 322 CD ARG A 23 11.004 8.173 -6.239 1.00 0.00 C ATOM 323 NE ARG A 23 11.948 7.341 -5.498 1.00 0.00 N ATOM 324 CZ ARG A 23 11.582 6.474 -4.559 1.00 0.00 C ATOM 325 NH1 ARG A 23 10.301 6.330 -4.247 1.00 0.00 N ATOM 326 NH2 ARG A 23 12.500 5.752 -3.928 1.00 0.00 N ATOM 0 H ARG A 23 6.643 9.004 -8.196 1.00 0.00 H new ATOM 0 HA ARG A 23 9.039 10.116 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.341 8.308 -6.244 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.985 7.299 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.925 6.360 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.489 7.185 -8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.554 8.862 -6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.429 8.779 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 23 12.941 7.430 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.593 6.885 -4.728 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.023 5.664 -3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.486 5.862 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.219 5.087 -3.208 1.00 0.00 H new ATOM 340 N GLU A 24 9.215 8.643 -10.432 1.00 0.00 N ATOM 341 CA GLU A 24 10.063 8.407 -11.595 1.00 0.00 C ATOM 342 C GLU A 24 10.368 9.716 -12.320 1.00 0.00 C ATOM 343 O GLU A 24 11.526 10.028 -12.596 1.00 0.00 O ATOM 344 CB GLU A 24 9.389 7.425 -12.554 1.00 0.00 C ATOM 345 CG GLU A 24 10.122 7.265 -13.876 1.00 0.00 C ATOM 346 CD GLU A 24 11.154 6.156 -13.841 1.00 0.00 C ATOM 347 OE1 GLU A 24 10.909 5.139 -13.160 1.00 0.00 O ATOM 348 OE2 GLU A 24 12.206 6.304 -14.497 1.00 0.00 O ATOM 0 H GLU A 24 8.222 8.474 -10.593 1.00 0.00 H new ATOM 0 HA GLU A 24 11.002 7.977 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.314 6.451 -12.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.372 7.763 -12.751 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.399 7.058 -14.665 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.612 8.204 -14.131 1.00 0.00 H new ATOM 355 N GLN A 25 9.320 10.474 -12.624 1.00 0.00 N ATOM 356 CA GLN A 25 9.476 11.747 -13.319 1.00 0.00 C ATOM 357 C GLN A 25 10.578 12.585 -12.679 1.00 0.00 C ATOM 358 O GLN A 25 11.322 13.280 -13.370 1.00 0.00 O ATOM 359 CB GLN A 25 8.157 12.522 -13.307 1.00 0.00 C ATOM 360 CG GLN A 25 7.005 11.775 -13.959 1.00 0.00 C ATOM 361 CD GLN A 25 7.105 11.754 -15.472 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.847 12.536 -16.067 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.356 10.859 -16.104 1.00 0.00 N ATOM 0 H GLN A 25 8.355 10.230 -12.401 1.00 0.00 H new ATOM 0 HA GLN A 25 9.758 11.538 -14.351 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.891 12.754 -12.276 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.299 13.473 -13.821 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.983 10.751 -13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.064 12.241 -13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.755 10.230 -15.572 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.381 10.800 -17.122 1.00 0.00 H new ATOM 372 N ILE A 26 10.675 12.515 -11.356 1.00 0.00 N ATOM 373 CA ILE A 26 11.686 13.266 -10.624 1.00 0.00 C ATOM 374 C ILE A 26 13.080 12.700 -10.873 1.00 0.00 C ATOM 375 O ILE A 26 13.974 13.406 -11.340 1.00 0.00 O ATOM 376 CB ILE A 26 11.406 13.261 -9.109 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.938 13.599 -8.839 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.321 14.245 -8.397 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.582 15.037 -9.147 1.00 0.00 C ATOM 0 H ILE A 26 10.065 11.946 -10.769 1.00 0.00 H new ATOM 0 HA ILE A 26 11.642 14.292 -10.990 1.00 0.00 H new ATOM 0 HB ILE A 26 11.607 12.263 -8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.306 12.941 -9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.713 13.394 -7.792 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.110 14.229 -7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.360 13.963 -8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.149 15.249 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.527 15.205 -8.932 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.188 15.702 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.775 15.242 -10.200 1.00 0.00 H new ATOM 391 N ARG A 27 13.256 11.420 -10.561 1.00 0.00 N ATOM 392 CA ARG A 27 14.542 10.758 -10.751 1.00 0.00 C ATOM 393 C ARG A 27 15.224 11.251 -12.024 1.00 0.00 C ATOM 394 O ARG A 27 16.440 11.439 -12.057 1.00 0.00 O ATOM 395 CB ARG A 27 14.353 9.241 -10.816 1.00 0.00 C ATOM 396 CG ARG A 27 14.369 8.567 -9.454 1.00 0.00 C ATOM 397 CD ARG A 27 15.789 8.385 -8.940 1.00 0.00 C ATOM 398 NE ARG A 27 15.874 7.340 -7.924 1.00 0.00 N ATOM 399 CZ ARG A 27 15.905 6.042 -8.205 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.860 5.632 -9.465 1.00 0.00 N ATOM 401 NH2 ARG A 27 15.982 5.152 -7.224 1.00 0.00 N ATOM 0 H ARG A 27 12.526 10.821 -10.176 1.00 0.00 H new ATOM 0 HA ARG A 27 15.178 11.003 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.406 9.022 -11.309 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.141 8.811 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.798 9.165 -8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.878 7.596 -9.521 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.447 8.135 -9.773 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.147 9.326 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 27 15.912 7.622 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.801 6.314 -10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.884 4.635 -9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.017 5.464 -6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.006 4.155 -7.440 1.00 0.00 H new ATOM 415 N THR A 28 14.432 11.459 -13.072 1.00 0.00 N ATOM 416 CA THR A 28 14.959 11.929 -14.347 1.00 0.00 C ATOM 417 C THR A 28 15.534 13.334 -14.220 1.00 0.00 C ATOM 418 O THR A 28 16.616 13.621 -14.734 1.00 0.00 O ATOM 419 CB THR A 28 13.872 11.928 -15.438 1.00 0.00 C ATOM 420 OG1 THR A 28 13.214 10.657 -15.473 1.00 0.00 O ATOM 421 CG2 THR A 28 14.475 12.231 -16.802 1.00 0.00 C ATOM 0 H THR A 28 13.423 11.309 -13.062 1.00 0.00 H new ATOM 0 HA THR A 28 15.753 11.240 -14.634 1.00 0.00 H new ATOM 0 HB THR A 28 13.146 12.705 -15.198 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.523 10.665 -16.168 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.689 12.225 -17.557 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.950 13.212 -16.780 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.219 11.473 -17.047 1.00 0.00 H new ATOM 429 N ARG A 29 14.805 14.207 -13.531 1.00 0.00 N ATOM 430 CA ARG A 29 15.244 15.584 -13.338 1.00 0.00 C ATOM 431 C ARG A 29 16.316 15.667 -12.254 1.00 0.00 C ATOM 432 O ARG A 29 17.405 16.192 -12.481 1.00 0.00 O ATOM 433 CB ARG A 29 14.057 16.472 -12.963 1.00 0.00 C ATOM 434 CG ARG A 29 13.178 16.846 -14.147 1.00 0.00 C ATOM 435 CD ARG A 29 11.793 17.280 -13.696 1.00 0.00 C ATOM 436 NE ARG A 29 11.183 18.222 -14.632 1.00 0.00 N ATOM 437 CZ ARG A 29 9.925 18.638 -14.541 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.147 18.199 -13.562 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.443 19.497 -15.431 1.00 0.00 N ATOM 0 H ARG A 29 13.909 13.985 -13.098 1.00 0.00 H new ATOM 0 HA ARG A 29 15.672 15.937 -14.276 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.450 15.957 -12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.429 17.383 -12.495 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.648 17.652 -14.710 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.092 15.994 -14.821 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.153 16.403 -13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.860 17.740 -12.710 1.00 0.00 H new ATOM 0 HE ARG A 29 11.755 18.580 -15.397 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.514 17.540 -12.876 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.181 18.520 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.039 19.838 -16.185 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.477 19.816 -15.360 1.00 0.00 H new ATOM 453 N HIS A 30 15.998 15.142 -11.074 1.00 0.00 N ATOM 454 CA HIS A 30 16.933 15.156 -9.955 1.00 0.00 C ATOM 455 C HIS A 30 17.474 13.755 -9.682 1.00 0.00 C ATOM 456 O HIS A 30 17.020 13.052 -8.780 1.00 0.00 O ATOM 457 CB HIS A 30 16.252 15.705 -8.701 1.00 0.00 C ATOM 458 CG HIS A 30 15.401 16.909 -8.960 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.693 18.160 -8.460 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.259 17.050 -9.675 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.769 19.018 -8.854 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.887 18.369 -9.592 1.00 0.00 N ATOM 0 H HIS A 30 15.101 14.702 -10.869 1.00 0.00 H new ATOM 0 HA HIS A 30 17.768 15.804 -10.219 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.635 14.922 -8.261 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.015 15.961 -7.966 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.738 16.270 -10.211 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.740 20.070 -8.614 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.063 18.781 -10.030 1.00 0.00 H new ATOM 471 N PRO A 31 18.468 13.339 -10.480 1.00 0.00 N ATOM 472 CA PRO A 31 19.093 12.020 -10.345 1.00 0.00 C ATOM 473 C PRO A 31 19.930 11.903 -9.076 1.00 0.00 C ATOM 474 O PRO A 31 20.499 10.848 -8.791 1.00 0.00 O ATOM 475 CB PRO A 31 19.984 11.919 -11.585 1.00 0.00 C ATOM 476 CG PRO A 31 20.282 13.332 -11.953 1.00 0.00 C ATOM 477 CD PRO A 31 19.060 14.124 -11.576 1.00 0.00 C ATOM 0 HA PRO A 31 18.352 11.224 -10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.898 11.364 -11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.476 11.397 -12.396 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.162 13.696 -11.423 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.492 13.422 -13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.319 15.133 -11.253 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.372 14.225 -12.415 1.00 0.00 H new ATOM 485 N ASP A 32 20.002 12.991 -8.317 1.00 0.00 N ATOM 486 CA ASP A 32 20.770 13.010 -7.077 1.00 0.00 C ATOM 487 C ASP A 32 19.856 12.831 -5.870 1.00 0.00 C ATOM 488 O ASP A 32 20.310 12.476 -4.781 1.00 0.00 O ATOM 489 CB ASP A 32 21.548 14.321 -6.955 1.00 0.00 C ATOM 490 CG ASP A 32 22.204 14.729 -8.259 1.00 0.00 C ATOM 491 OD1 ASP A 32 21.481 15.170 -9.175 1.00 0.00 O ATOM 492 OD2 ASP A 32 23.444 14.605 -8.364 1.00 0.00 O ATOM 0 H ASP A 32 19.538 13.872 -8.539 1.00 0.00 H new ATOM 0 HA ASP A 32 21.475 12.179 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.873 15.112 -6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.312 14.216 -6.185 1.00 0.00 H new ATOM 497 N LEU A 33 18.566 13.082 -6.069 1.00 0.00 N ATOM 498 CA LEU A 33 17.587 12.949 -4.995 1.00 0.00 C ATOM 499 C LEU A 33 17.319 11.481 -4.679 1.00 0.00 C ATOM 500 O LEU A 33 16.886 10.706 -5.531 1.00 0.00 O ATOM 501 CB LEU A 33 16.281 13.646 -5.381 1.00 0.00 C ATOM 502 CG LEU A 33 16.230 15.156 -5.145 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.792 15.652 -5.173 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.894 15.512 -3.824 1.00 0.00 C ATOM 0 H LEU A 33 18.174 13.378 -6.963 1.00 0.00 H new ATOM 0 HA LEU A 33 17.996 13.424 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.090 13.457 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.467 13.184 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 33 16.778 15.649 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.775 16.729 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.350 15.431 -6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.220 15.152 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.848 16.590 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.375 15.009 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.936 15.192 -3.843 1.00 0.00 H new ATOM 516 N PRO A 34 17.582 11.090 -3.423 1.00 0.00 N ATOM 517 CA PRO A 34 17.375 9.712 -2.964 1.00 0.00 C ATOM 518 C PRO A 34 15.897 9.347 -2.874 1.00 0.00 C ATOM 519 O PRO A 34 15.044 10.025 -3.449 1.00 0.00 O ATOM 520 CB PRO A 34 18.015 9.702 -1.574 1.00 0.00 C ATOM 521 CG PRO A 34 17.951 11.119 -1.117 1.00 0.00 C ATOM 522 CD PRO A 34 18.100 11.959 -2.355 1.00 0.00 C ATOM 0 HA PRO A 34 17.805 8.984 -3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.475 9.042 -0.895 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.044 9.345 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.005 11.326 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.744 11.335 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.532 12.887 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.140 12.235 -2.531 1.00 0.00 H new ATOM 530 N PHE A 35 15.600 8.274 -2.149 1.00 0.00 N ATOM 531 CA PHE A 35 14.225 7.819 -1.985 1.00 0.00 C ATOM 532 C PHE A 35 13.457 8.740 -1.040 1.00 0.00 C ATOM 533 O PHE A 35 12.435 9.327 -1.398 1.00 0.00 O ATOM 534 CB PHE A 35 14.200 6.386 -1.449 1.00 0.00 C ATOM 535 CG PHE A 35 13.023 6.098 -0.562 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.771 6.610 -0.862 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.167 5.314 0.571 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.686 6.347 -0.047 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.086 5.048 1.390 1.00 0.00 C ATOM 540 CZ PHE A 35 10.844 5.563 1.080 1.00 0.00 C ATOM 0 H PHE A 35 16.293 7.703 -1.666 1.00 0.00 H new ATOM 0 HA PHE A 35 13.742 7.843 -2.962 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.189 5.692 -2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.118 6.199 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.641 7.222 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.136 4.906 0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.716 6.754 -0.291 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.213 4.438 2.272 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.997 5.354 1.717 1.00 0.00 H new ATOM 550 N PRO A 36 13.959 8.870 0.197 1.00 0.00 N ATOM 551 CA PRO A 36 13.337 9.717 1.219 1.00 0.00 C ATOM 552 C PRO A 36 13.473 11.204 0.901 1.00 0.00 C ATOM 553 O PRO A 36 13.341 12.050 1.784 1.00 0.00 O ATOM 554 CB PRO A 36 14.115 9.370 2.489 1.00 0.00 C ATOM 555 CG PRO A 36 15.439 8.888 2.004 1.00 0.00 C ATOM 556 CD PRO A 36 15.173 8.201 0.693 1.00 0.00 C ATOM 0 HA PRO A 36 12.264 9.539 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.224 10.240 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.603 8.603 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.134 9.718 1.876 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.891 8.202 2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.007 8.318 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.016 7.130 0.825 1.00 0.00 H new ATOM 564 N GLU A 37 13.736 11.511 -0.365 1.00 0.00 N ATOM 565 CA GLU A 37 13.890 12.895 -0.798 1.00 0.00 C ATOM 566 C GLU A 37 12.934 13.217 -1.942 1.00 0.00 C ATOM 567 O GLU A 37 12.601 14.378 -2.179 1.00 0.00 O ATOM 568 CB GLU A 37 15.333 13.159 -1.235 1.00 0.00 C ATOM 569 CG GLU A 37 16.263 13.508 -0.085 1.00 0.00 C ATOM 570 CD GLU A 37 16.169 14.966 0.319 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.977 15.819 -0.573 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.288 15.255 1.529 1.00 0.00 O ATOM 0 H GLU A 37 13.847 10.821 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 37 13.650 13.541 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.716 12.276 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.341 13.974 -1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.024 12.881 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.290 13.279 -0.371 1.00 0.00 H new ATOM 579 N ILE A 38 12.496 12.180 -2.648 1.00 0.00 N ATOM 580 CA ILE A 38 11.578 12.352 -3.768 1.00 0.00 C ATOM 581 C ILE A 38 10.129 12.207 -3.316 1.00 0.00 C ATOM 582 O ILE A 38 9.286 13.056 -3.610 1.00 0.00 O ATOM 583 CB ILE A 38 11.860 11.334 -4.888 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.285 11.505 -5.417 1.00 0.00 C ATOM 585 CG2 ILE A 38 10.849 11.493 -6.014 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.789 10.310 -6.194 1.00 0.00 C ATOM 0 H ILE A 38 12.762 11.212 -2.465 1.00 0.00 H new ATOM 0 HA ILE A 38 11.736 13.358 -4.156 1.00 0.00 H new ATOM 0 HB ILE A 38 11.764 10.329 -4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.323 12.386 -6.057 1.00 0.00 H new ATOM 0 HG13 ILE A 38 13.955 11.691 -4.578 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.061 10.767 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 38 9.844 11.326 -5.627 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.917 12.501 -6.424 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.805 10.502 -6.538 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.784 9.430 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.142 10.135 -7.053 1.00 0.00 H new ATOM 598 N THR A 39 9.844 11.125 -2.598 1.00 0.00 N ATOM 599 CA THR A 39 8.497 10.868 -2.105 1.00 0.00 C ATOM 600 C THR A 39 7.991 12.028 -1.256 1.00 0.00 C ATOM 601 O THR A 39 6.787 12.275 -1.176 1.00 0.00 O ATOM 602 CB THR A 39 8.440 9.575 -1.271 1.00 0.00 C ATOM 603 OG1 THR A 39 8.461 8.433 -2.136 1.00 0.00 O ATOM 604 CG2 THR A 39 7.188 9.540 -0.408 1.00 0.00 C ATOM 0 H THR A 39 10.529 10.412 -2.345 1.00 0.00 H new ATOM 0 HA THR A 39 7.858 10.755 -2.981 1.00 0.00 H new ATOM 0 HB THR A 39 9.312 9.553 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.426 7.615 -1.598 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.171 8.617 0.171 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.189 10.394 0.270 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.305 9.584 -1.046 1.00 0.00 H new ATOM 612 N LYS A 40 8.917 12.740 -0.623 1.00 0.00 N ATOM 613 CA LYS A 40 8.566 13.877 0.219 1.00 0.00 C ATOM 614 C LYS A 40 8.081 15.051 -0.625 1.00 0.00 C ATOM 615 O LYS A 40 7.170 15.777 -0.230 1.00 0.00 O ATOM 616 CB LYS A 40 9.771 14.306 1.061 1.00 0.00 C ATOM 617 CG LYS A 40 10.942 14.809 0.236 1.00 0.00 C ATOM 618 CD LYS A 40 11.917 15.612 1.081 1.00 0.00 C ATOM 619 CE LYS A 40 11.370 16.995 1.398 1.00 0.00 C ATOM 620 NZ LYS A 40 10.567 17.000 2.652 1.00 0.00 N ATOM 0 H LYS A 40 9.918 12.549 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 40 7.757 13.569 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.460 15.090 1.751 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.100 13.461 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.461 13.963 -0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.573 15.428 -0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.121 15.078 2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.866 15.707 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.196 17.699 1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.751 17.340 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.559 17.106 2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.712 16.105 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.868 17.793 3.254 1.00 0.00 H new ATOM 634 N MET A 41 8.694 15.229 -1.791 1.00 0.00 N ATOM 635 CA MET A 41 8.321 16.314 -2.692 1.00 0.00 C ATOM 636 C MET A 41 6.946 16.063 -3.304 1.00 0.00 C ATOM 637 O MET A 41 6.065 16.923 -3.248 1.00 0.00 O ATOM 638 CB MET A 41 9.364 16.465 -3.801 1.00 0.00 C ATOM 639 CG MET A 41 10.613 17.214 -3.361 1.00 0.00 C ATOM 640 SD MET A 41 11.567 17.851 -4.751 1.00 0.00 S ATOM 641 CE MET A 41 11.733 16.374 -5.752 1.00 0.00 C ATOM 0 H MET A 41 9.450 14.637 -2.134 1.00 0.00 H new ATOM 0 HA MET A 41 8.280 17.236 -2.113 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.650 15.475 -4.157 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.913 16.989 -4.644 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.326 18.042 -2.713 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.241 16.549 -2.769 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.497 16.534 -6.513 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.022 15.535 -5.118 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.781 16.153 -6.235 1.00 0.00 H new ATOM 651 N LEU A 42 6.769 14.882 -3.886 1.00 0.00 N ATOM 652 CA LEU A 42 5.499 14.520 -4.508 1.00 0.00 C ATOM 653 C LEU A 42 4.343 14.704 -3.533 1.00 0.00 C ATOM 654 O LEU A 42 3.282 15.207 -3.899 1.00 0.00 O ATOM 655 CB LEU A 42 5.545 13.071 -4.997 1.00 0.00 C ATOM 656 CG LEU A 42 6.801 12.660 -5.765 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.733 11.191 -6.155 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.982 13.533 -6.998 1.00 0.00 C ATOM 0 H LEU A 42 7.487 14.160 -3.940 1.00 0.00 H new ATOM 0 HA LEU A 42 5.338 15.180 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.441 12.414 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.680 12.897 -5.636 1.00 0.00 H new ATOM 0 HG LEU A 42 7.664 12.802 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.636 10.917 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.653 10.579 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.862 11.022 -6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.881 13.226 -7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.116 13.424 -7.651 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.078 14.576 -6.695 1.00 0.00 H new ATOM 670 N GLY A 43 4.555 14.293 -2.286 1.00 0.00 N ATOM 671 CA GLY A 43 3.521 14.423 -1.275 1.00 0.00 C ATOM 672 C GLY A 43 2.783 15.744 -1.368 1.00 0.00 C ATOM 673 O GLY A 43 1.560 15.772 -1.493 1.00 0.00 O ATOM 0 H GLY A 43 5.424 13.872 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.809 13.604 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.970 14.330 -0.286 1.00 0.00 H new ATOM 677 N ALA A 44 3.529 16.843 -1.303 1.00 0.00 N ATOM 678 CA ALA A 44 2.939 18.173 -1.380 1.00 0.00 C ATOM 679 C ALA A 44 2.031 18.301 -2.599 1.00 0.00 C ATOM 680 O ALA A 44 0.960 18.903 -2.526 1.00 0.00 O ATOM 681 CB ALA A 44 4.029 19.233 -1.419 1.00 0.00 C ATOM 0 H ALA A 44 4.543 16.837 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 44 2.331 18.325 -0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.573 20.222 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.635 19.165 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.661 19.073 -2.293 1.00 0.00 H new ATOM 687 N GLU A 45 2.467 17.730 -3.718 1.00 0.00 N ATOM 688 CA GLU A 45 1.693 17.783 -4.953 1.00 0.00 C ATOM 689 C GLU A 45 0.346 17.086 -4.781 1.00 0.00 C ATOM 690 O GLU A 45 -0.696 17.629 -5.148 1.00 0.00 O ATOM 691 CB GLU A 45 2.473 17.133 -6.098 1.00 0.00 C ATOM 692 CG GLU A 45 3.889 17.664 -6.247 1.00 0.00 C ATOM 693 CD GLU A 45 3.952 18.935 -7.072 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.191 19.041 -8.056 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.762 19.823 -6.733 1.00 0.00 O ATOM 0 H GLU A 45 3.351 17.226 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 45 1.513 18.831 -5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.513 16.056 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.933 17.294 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.307 17.856 -5.259 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.512 16.901 -6.714 1.00 0.00 H new ATOM 702 N TRP A 46 0.377 15.883 -4.222 1.00 0.00 N ATOM 703 CA TRP A 46 -0.840 15.111 -4.002 1.00 0.00 C ATOM 704 C TRP A 46 -1.915 15.965 -3.337 1.00 0.00 C ATOM 705 O TRP A 46 -3.094 15.871 -3.676 1.00 0.00 O ATOM 706 CB TRP A 46 -0.542 13.883 -3.138 1.00 0.00 C ATOM 707 CG TRP A 46 -1.776 13.183 -2.654 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.237 13.129 -1.370 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.706 12.437 -3.447 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.396 12.394 -1.317 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.705 11.959 -2.578 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.791 12.127 -4.808 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.775 11.189 -3.026 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.853 11.363 -5.251 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.834 10.901 -4.363 1.00 0.00 C ATOM 0 H TRP A 46 1.232 15.420 -3.912 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.211 14.783 -4.973 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.063 13.182 -3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.054 14.189 -2.278 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.760 13.596 -0.521 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.939 12.203 -0.475 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -2.040 12.479 -5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.531 10.832 -2.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.929 11.117 -6.300 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.652 10.306 -4.741 1.00 0.00 H new ATOM 726 N SER A 47 -1.498 16.800 -2.389 1.00 0.00 N ATOM 727 CA SER A 47 -2.425 17.669 -1.676 1.00 0.00 C ATOM 728 C SER A 47 -2.842 18.851 -2.546 1.00 0.00 C ATOM 729 O SER A 47 -3.882 19.469 -2.317 1.00 0.00 O ATOM 730 CB SER A 47 -1.789 18.175 -0.380 1.00 0.00 C ATOM 731 OG SER A 47 -2.729 18.883 0.408 1.00 0.00 O ATOM 0 H SER A 47 -0.525 16.892 -2.098 1.00 0.00 H new ATOM 0 HA SER A 47 -3.314 17.088 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.395 17.332 0.188 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.945 18.824 -0.615 1.00 0.00 H new ATOM 0 HG SER A 47 -2.298 19.194 1.231 1.00 0.00 H new ATOM 737 N LYS A 48 -2.023 19.159 -3.545 1.00 0.00 N ATOM 738 CA LYS A 48 -2.304 20.265 -4.454 1.00 0.00 C ATOM 739 C LYS A 48 -3.022 19.772 -5.706 1.00 0.00 C ATOM 740 O LYS A 48 -3.402 20.565 -6.568 1.00 0.00 O ATOM 741 CB LYS A 48 -1.007 20.976 -4.842 1.00 0.00 C ATOM 742 CG LYS A 48 -0.316 21.662 -3.676 1.00 0.00 C ATOM 743 CD LYS A 48 0.729 22.657 -4.155 1.00 0.00 C ATOM 744 CE LYS A 48 1.856 21.964 -4.904 1.00 0.00 C ATOM 745 NZ LYS A 48 1.567 21.851 -6.360 1.00 0.00 N ATOM 0 H LYS A 48 -1.158 18.658 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.956 20.970 -3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.323 20.251 -5.283 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.225 21.717 -5.611 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.057 22.177 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.157 20.913 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.259 23.395 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.137 23.198 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.783 22.519 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.012 20.969 -4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.572 20.849 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.633 22.261 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.294 22.364 -6.899 1.00 0.00 H new ATOM 759 N LEU A 49 -3.207 18.460 -5.799 1.00 0.00 N ATOM 760 CA LEU A 49 -3.881 17.861 -6.946 1.00 0.00 C ATOM 761 C LEU A 49 -5.283 18.436 -7.114 1.00 0.00 C ATOM 762 O LEU A 49 -5.864 18.967 -6.168 1.00 0.00 O ATOM 763 CB LEU A 49 -3.956 16.342 -6.782 1.00 0.00 C ATOM 764 CG LEU A 49 -2.783 15.547 -7.356 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.011 14.054 -7.173 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.581 15.880 -8.827 1.00 0.00 C ATOM 0 H LEU A 49 -2.900 17.790 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.303 18.095 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.038 16.115 -5.719 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.873 15.990 -7.254 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.880 15.826 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.166 13.503 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.106 13.828 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.925 13.759 -7.690 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.742 15.305 -9.218 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.484 15.630 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.372 16.944 -8.934 1.00 0.00 H new ATOM 778 N GLN A 50 -5.822 18.324 -8.324 1.00 0.00 N ATOM 779 CA GLN A 50 -7.157 18.832 -8.616 1.00 0.00 C ATOM 780 C GLN A 50 -8.227 17.924 -8.019 1.00 0.00 C ATOM 781 O GLN A 50 -7.997 16.742 -7.756 1.00 0.00 O ATOM 782 CB GLN A 50 -7.360 18.955 -10.126 1.00 0.00 C ATOM 783 CG GLN A 50 -6.739 20.206 -10.724 1.00 0.00 C ATOM 784 CD GLN A 50 -7.608 21.435 -10.540 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.554 22.098 -9.503 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.415 21.746 -11.547 1.00 0.00 N ATOM 0 H GLN A 50 -5.355 17.886 -9.118 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.250 19.819 -8.163 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.933 18.079 -10.614 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.428 18.951 -10.342 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.767 20.381 -10.262 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.563 20.046 -11.788 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.427 21.169 -12.388 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.023 22.562 -11.480 1.00 0.00 H new ATOM 795 N PRO A 51 -9.425 18.485 -7.798 1.00 0.00 N ATOM 796 CA PRO A 51 -10.554 17.743 -7.231 1.00 0.00 C ATOM 797 C PRO A 51 -11.110 16.703 -8.197 1.00 0.00 C ATOM 798 O PRO A 51 -12.077 16.008 -7.887 1.00 0.00 O ATOM 799 CB PRO A 51 -11.595 18.833 -6.961 1.00 0.00 C ATOM 800 CG PRO A 51 -11.264 19.920 -7.924 1.00 0.00 C ATOM 801 CD PRO A 51 -9.769 19.887 -8.087 1.00 0.00 C ATOM 0 HA PRO A 51 -10.266 17.180 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.608 18.461 -7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.540 19.186 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.764 19.761 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.594 20.888 -7.548 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.468 20.175 -9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.275 20.572 -7.398 1.00 0.00 H new ATOM 809 N ALA A 52 -10.492 16.603 -9.369 1.00 0.00 N ATOM 810 CA ALA A 52 -10.925 15.645 -10.380 1.00 0.00 C ATOM 811 C ALA A 52 -9.881 14.551 -10.583 1.00 0.00 C ATOM 812 O ALA A 52 -10.219 13.408 -10.888 1.00 0.00 O ATOM 813 CB ALA A 52 -11.206 16.357 -11.695 1.00 0.00 C ATOM 0 H ALA A 52 -9.691 17.172 -9.642 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.844 15.175 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.528 15.630 -12.441 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.992 17.098 -11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.299 16.854 -12.041 1.00 0.00 H new ATOM 819 N GLU A 53 -8.613 14.910 -10.410 1.00 0.00 N ATOM 820 CA GLU A 53 -7.521 13.958 -10.575 1.00 0.00 C ATOM 821 C GLU A 53 -7.299 13.157 -9.295 1.00 0.00 C ATOM 822 O GLU A 53 -7.277 11.926 -9.314 1.00 0.00 O ATOM 823 CB GLU A 53 -6.234 14.687 -10.963 1.00 0.00 C ATOM 824 CG GLU A 53 -6.397 15.623 -12.149 1.00 0.00 C ATOM 825 CD GLU A 53 -6.907 14.911 -13.387 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.465 13.771 -13.640 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.749 15.494 -14.102 1.00 0.00 O ATOM 0 H GLU A 53 -8.317 15.852 -10.156 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.793 13.267 -11.373 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.878 15.259 -10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.465 13.950 -11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.088 16.423 -11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.438 16.091 -12.372 1.00 0.00 H new ATOM 834 N LYS A 54 -7.134 13.865 -8.182 1.00 0.00 N ATOM 835 CA LYS A 54 -6.915 13.223 -6.891 1.00 0.00 C ATOM 836 C LYS A 54 -7.962 12.143 -6.637 1.00 0.00 C ATOM 837 O LYS A 54 -7.643 11.065 -6.135 1.00 0.00 O ATOM 838 CB LYS A 54 -6.955 14.262 -5.769 1.00 0.00 C ATOM 839 CG LYS A 54 -6.325 13.780 -4.473 1.00 0.00 C ATOM 840 CD LYS A 54 -6.818 14.584 -3.281 1.00 0.00 C ATOM 841 CE LYS A 54 -6.088 14.194 -2.006 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.729 13.030 -1.333 1.00 0.00 N ATOM 0 H LYS A 54 -7.148 14.884 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.931 12.754 -6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.440 15.163 -6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.992 14.539 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.559 12.726 -4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.240 13.859 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.674 15.647 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.889 14.426 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.051 13.952 -2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.070 15.044 -1.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.849 13.237 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.659 12.850 -1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.127 12.189 -1.445 1.00 0.00 H new ATOM 856 N GLN A 55 -9.208 12.439 -6.987 1.00 0.00 N ATOM 857 CA GLN A 55 -10.300 11.490 -6.796 1.00 0.00 C ATOM 858 C GLN A 55 -10.135 10.279 -7.706 1.00 0.00 C ATOM 859 O GLN A 55 -10.298 9.138 -7.273 1.00 0.00 O ATOM 860 CB GLN A 55 -11.644 12.169 -7.068 1.00 0.00 C ATOM 861 CG GLN A 55 -12.844 11.305 -6.709 1.00 0.00 C ATOM 862 CD GLN A 55 -12.976 11.081 -5.216 1.00 0.00 C ATOM 863 OE1 GLN A 55 -12.218 11.640 -4.423 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.942 10.259 -4.824 1.00 0.00 N ATOM 0 H GLN A 55 -9.488 13.327 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.275 11.148 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.693 13.099 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.701 12.435 -8.123 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.752 11.778 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.756 10.341 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.548 9.817 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.079 10.069 -3.831 1.00 0.00 H new ATOM 873 N ARG A 56 -9.811 10.534 -8.970 1.00 0.00 N ATOM 874 CA ARG A 56 -9.625 9.463 -9.943 1.00 0.00 C ATOM 875 C ARG A 56 -8.640 8.420 -9.422 1.00 0.00 C ATOM 876 O ARG A 56 -8.889 7.218 -9.506 1.00 0.00 O ATOM 877 CB ARG A 56 -9.125 10.034 -11.271 1.00 0.00 C ATOM 878 CG ARG A 56 -8.776 8.968 -12.297 1.00 0.00 C ATOM 879 CD ARG A 56 -7.965 9.547 -13.446 1.00 0.00 C ATOM 880 NE ARG A 56 -7.282 8.508 -14.212 1.00 0.00 N ATOM 881 CZ ARG A 56 -6.241 7.822 -13.755 1.00 0.00 C ATOM 882 NH1 ARG A 56 -5.765 8.065 -12.541 1.00 0.00 N ATOM 883 NH2 ARG A 56 -5.673 6.892 -14.511 1.00 0.00 N ATOM 0 H ARG A 56 -9.672 11.473 -9.344 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.589 8.979 -10.103 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.890 10.690 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.245 10.649 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.210 8.170 -11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.691 8.521 -12.685 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.624 10.111 -14.107 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.230 10.250 -13.053 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.623 8.298 -15.150 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.199 8.780 -11.957 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.965 7.537 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.036 6.703 -15.445 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.873 6.366 -14.158 1.00 0.00 H new ATOM 897 N TYR A 57 -7.519 8.890 -8.883 1.00 0.00 N ATOM 898 CA TYR A 57 -6.495 7.999 -8.351 1.00 0.00 C ATOM 899 C TYR A 57 -7.085 7.050 -7.313 1.00 0.00 C ATOM 900 O TYR A 57 -6.660 5.900 -7.193 1.00 0.00 O ATOM 901 CB TYR A 57 -5.358 8.810 -7.729 1.00 0.00 C ATOM 902 CG TYR A 57 -4.285 9.207 -8.718 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.541 8.244 -9.389 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.016 10.544 -8.982 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.559 8.602 -10.292 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.038 10.911 -9.885 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.312 9.937 -10.537 1.00 0.00 C ATOM 908 OH TYR A 57 -1.336 10.298 -11.438 1.00 0.00 O ATOM 0 H TYR A 57 -7.297 9.882 -8.803 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.100 7.406 -9.176 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.772 9.710 -7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.904 8.227 -6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.734 7.198 -9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.582 11.310 -8.472 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.988 7.841 -10.803 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.843 11.955 -10.079 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.289 11.275 -11.496 1.00 0.00 H new ATOM 918 N LEU A 58 -8.069 7.537 -6.565 1.00 0.00 N ATOM 919 CA LEU A 58 -8.720 6.734 -5.537 1.00 0.00 C ATOM 920 C LEU A 58 -9.509 5.587 -6.162 1.00 0.00 C ATOM 921 O LEU A 58 -9.292 4.420 -5.833 1.00 0.00 O ATOM 922 CB LEU A 58 -9.648 7.606 -4.692 1.00 0.00 C ATOM 923 CG LEU A 58 -9.046 8.906 -4.157 1.00 0.00 C ATOM 924 CD1 LEU A 58 -10.061 9.655 -3.307 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.784 8.620 -3.357 1.00 0.00 C ATOM 0 H LEU A 58 -8.434 8.486 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.946 6.312 -4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.525 7.854 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.997 7.015 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.779 9.536 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.614 10.577 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.936 9.894 -3.911 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.361 9.032 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.369 9.557 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.026 7.970 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.051 8.128 -3.997 1.00 0.00 H new ATOM 937 N ASP A 59 -10.424 5.926 -7.062 1.00 0.00 N ATOM 938 CA ASP A 59 -11.244 4.926 -7.735 1.00 0.00 C ATOM 939 C ASP A 59 -10.373 3.939 -8.506 1.00 0.00 C ATOM 940 O ASP A 59 -10.467 2.728 -8.308 1.00 0.00 O ATOM 941 CB ASP A 59 -12.234 5.601 -8.685 1.00 0.00 C ATOM 942 CG ASP A 59 -13.314 4.652 -9.166 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.625 3.689 -8.435 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.846 4.871 -10.274 1.00 0.00 O ATOM 0 H ASP A 59 -10.617 6.887 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.800 4.377 -6.975 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.698 6.448 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.695 5.999 -9.545 1.00 0.00 H new ATOM 949 N GLU A 60 -9.526 4.466 -9.386 1.00 0.00 N ATOM 950 CA GLU A 60 -8.641 3.631 -10.188 1.00 0.00 C ATOM 951 C GLU A 60 -8.074 2.484 -9.356 1.00 0.00 C ATOM 952 O GLU A 60 -8.170 1.318 -9.740 1.00 0.00 O ATOM 953 CB GLU A 60 -7.498 4.468 -10.765 1.00 0.00 C ATOM 954 CG GLU A 60 -7.933 5.405 -11.879 1.00 0.00 C ATOM 955 CD GLU A 60 -8.129 4.690 -13.201 1.00 0.00 C ATOM 956 OE1 GLU A 60 -7.189 4.001 -13.649 1.00 0.00 O ATOM 957 OE2 GLU A 60 -9.224 4.820 -13.789 1.00 0.00 O ATOM 0 H GLU A 60 -9.435 5.467 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.224 3.211 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.047 5.054 -9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.725 3.800 -11.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.864 5.894 -11.594 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.185 6.189 -12.002 1.00 0.00 H new ATOM 964 N ALA A 61 -7.484 2.822 -8.214 1.00 0.00 N ATOM 965 CA ALA A 61 -6.904 1.822 -7.328 1.00 0.00 C ATOM 966 C ALA A 61 -7.951 0.802 -6.891 1.00 0.00 C ATOM 967 O ALA A 61 -7.668 -0.393 -6.807 1.00 0.00 O ATOM 968 CB ALA A 61 -6.279 2.491 -6.114 1.00 0.00 C ATOM 0 H ALA A 61 -7.395 3.782 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.126 1.293 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.850 1.731 -5.461 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.495 3.175 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.044 3.046 -5.571 1.00 0.00 H new ATOM 974 N GLU A 62 -9.159 1.282 -6.614 1.00 0.00 N ATOM 975 CA GLU A 62 -10.247 0.412 -6.184 1.00 0.00 C ATOM 976 C GLU A 62 -10.574 -0.621 -7.259 1.00 0.00 C ATOM 977 O GLU A 62 -10.502 -1.826 -7.020 1.00 0.00 O ATOM 978 CB GLU A 62 -11.493 1.238 -5.859 1.00 0.00 C ATOM 979 CG GLU A 62 -11.290 2.223 -4.720 1.00 0.00 C ATOM 980 CD GLU A 62 -11.503 1.592 -3.358 1.00 0.00 C ATOM 981 OE1 GLU A 62 -10.730 0.681 -2.998 1.00 0.00 O ATOM 982 OE2 GLU A 62 -12.444 2.011 -2.651 1.00 0.00 O ATOM 0 H GLU A 62 -9.409 2.269 -6.680 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.924 -0.113 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.799 1.785 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.310 0.563 -5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.281 2.631 -4.773 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.979 3.059 -4.841 1.00 0.00 H new ATOM 989 N LYS A 63 -10.933 -0.139 -8.444 1.00 0.00 N ATOM 990 CA LYS A 63 -11.271 -1.019 -9.557 1.00 0.00 C ATOM 991 C LYS A 63 -10.307 -2.199 -9.629 1.00 0.00 C ATOM 992 O LYS A 63 -10.697 -3.307 -9.996 1.00 0.00 O ATOM 993 CB LYS A 63 -11.241 -0.240 -10.875 1.00 0.00 C ATOM 994 CG LYS A 63 -12.154 0.974 -10.885 1.00 0.00 C ATOM 995 CD LYS A 63 -13.542 0.624 -11.394 1.00 0.00 C ATOM 996 CE LYS A 63 -14.468 0.223 -10.256 1.00 0.00 C ATOM 997 NZ LYS A 63 -15.505 -0.749 -10.701 1.00 0.00 N ATOM 0 H LYS A 63 -10.997 0.856 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.277 -1.405 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.219 0.083 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.528 -0.907 -11.688 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.228 1.383 -9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.720 1.751 -11.514 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.963 1.479 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.472 -0.193 -12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.882 -0.216 -9.448 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.953 1.112 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.116 -0.997 -9.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.081 -0.322 -11.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.043 -1.608 -11.063 1.00 0.00 H new ATOM 1011 N GLU A 64 -9.050 -1.954 -9.277 1.00 0.00 N ATOM 1012 CA GLU A 64 -8.032 -2.997 -9.302 1.00 0.00 C ATOM 1013 C GLU A 64 -8.143 -3.895 -8.072 1.00 0.00 C ATOM 1014 O GLU A 64 -8.083 -5.120 -8.176 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.635 -2.378 -9.370 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.258 -1.877 -10.754 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.684 -2.969 -11.634 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.624 -3.525 -11.275 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.295 -3.269 -12.681 1.00 0.00 O ATOM 0 H GLU A 64 -8.712 -1.042 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.195 -3.605 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.580 -1.549 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.903 -3.119 -9.049 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.140 -1.454 -11.235 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.529 -1.072 -10.659 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.304 -3.276 -6.908 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.425 -4.016 -5.657 1.00 0.00 C ATOM 1028 C LYS A 65 -9.407 -5.173 -5.803 1.00 0.00 C ATOM 1029 O LYS A 65 -9.235 -6.226 -5.188 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.880 -3.085 -4.532 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.705 -3.677 -3.144 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.060 -2.674 -2.060 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.041 -3.314 -0.680 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.370 -3.876 -0.311 1.00 0.00 N ATOM 0 H LYS A 65 -8.354 -2.263 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.445 -4.424 -5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.318 -2.153 -4.594 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.930 -2.835 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.334 -4.561 -3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.673 -4.004 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.355 -1.843 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.049 -2.259 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.293 -4.106 -0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.742 -2.572 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.316 -4.303 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.080 -3.116 -0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.644 -4.602 -1.003 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.437 -4.971 -6.619 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.446 -5.999 -6.844 1.00 0.00 C ATOM 1050 C GLN A 66 -10.797 -7.321 -7.243 1.00 0.00 C ATOM 1051 O GLN A 66 -11.126 -8.374 -6.697 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.428 -5.552 -7.928 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.447 -4.532 -7.444 1.00 0.00 C ATOM 1054 CD GLN A 66 -14.705 -5.179 -6.898 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -15.074 -6.282 -7.301 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -15.370 -4.493 -5.976 1.00 0.00 N ATOM 0 H GLN A 66 -10.594 -4.105 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.990 -6.149 -5.911 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.868 -5.127 -8.761 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.955 -6.426 -8.312 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.996 -3.913 -6.669 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.712 -3.869 -8.268 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -15.027 -3.582 -5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -16.224 -4.877 -5.572 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.875 -7.256 -8.197 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.181 -8.449 -8.670 1.00 0.00 C ATOM 1067 C GLN A 67 -8.446 -9.141 -7.526 1.00 0.00 C ATOM 1068 O GLN A 67 -8.548 -10.356 -7.354 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.194 -8.085 -9.780 1.00 0.00 C ATOM 1070 CG GLN A 67 -7.171 -9.172 -10.066 1.00 0.00 C ATOM 1071 CD GLN A 67 -5.979 -9.112 -9.131 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.594 -10.116 -8.531 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -5.385 -7.931 -9.003 1.00 0.00 N ATOM 0 H GLN A 67 -9.591 -6.391 -8.658 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.926 -9.138 -9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.750 -7.872 -10.693 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -7.671 -7.169 -9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.649 -10.148 -9.977 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.825 -9.079 -11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.737 -7.125 -9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.577 -7.830 -8.389 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.705 -8.359 -6.748 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.950 -8.897 -5.622 1.00 0.00 C ATOM 1084 C TYR A 68 -7.876 -9.588 -4.626 1.00 0.00 C ATOM 1085 O TYR A 68 -7.565 -10.663 -4.113 1.00 0.00 O ATOM 1086 CB TYR A 68 -6.173 -7.780 -4.923 1.00 0.00 C ATOM 1087 CG TYR A 68 -5.949 -8.030 -3.449 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -6.964 -7.808 -2.525 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -4.724 -8.487 -2.979 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -6.764 -8.034 -1.178 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -4.516 -8.716 -1.633 1.00 0.00 C ATOM 1092 CZ TYR A 68 -5.539 -8.488 -0.735 1.00 0.00 C ATOM 1093 OH TYR A 68 -5.337 -8.715 0.606 1.00 0.00 O ATOM 0 H TYR A 68 -7.611 -7.351 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.246 -9.634 -6.008 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.207 -7.659 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.713 -6.841 -5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.925 -7.453 -2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.921 -8.666 -3.678 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.563 -7.856 -0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.558 -9.072 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.421 -9.033 0.750 1.00 0.00 H new ATOM 1103 N LEU A 69 -9.017 -8.962 -4.357 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.991 -9.516 -3.423 1.00 0.00 C ATOM 1105 C LEU A 69 -10.356 -10.948 -3.800 1.00 0.00 C ATOM 1106 O LEU A 69 -9.941 -11.900 -3.139 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.251 -8.648 -3.394 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.253 -7.501 -2.382 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.486 -6.630 -2.566 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.189 -8.045 -0.962 1.00 0.00 C ATOM 0 H LEU A 69 -9.290 -8.071 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.540 -9.525 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.402 -8.229 -4.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.106 -9.291 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.370 -6.886 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.471 -5.819 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.490 -6.213 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.382 -7.233 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.191 -7.216 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.054 -8.682 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.276 -8.627 -0.836 1.00 0.00 H new ATOM 1122 N LYS A 70 -11.131 -11.093 -4.869 1.00 0.00 N ATOM 1123 CA LYS A 70 -11.549 -12.409 -5.338 1.00 0.00 C ATOM 1124 C LYS A 70 -10.448 -13.441 -5.117 1.00 0.00 C ATOM 1125 O LYS A 70 -10.668 -14.467 -4.474 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.917 -12.351 -6.823 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.963 -11.509 -7.653 1.00 0.00 C ATOM 1128 CD LYS A 70 -11.568 -11.141 -8.997 1.00 0.00 C ATOM 1129 CE LYS A 70 -12.574 -10.008 -8.864 1.00 0.00 C ATOM 1130 NZ LYS A 70 -13.398 -9.851 -10.095 1.00 0.00 N ATOM 0 H LYS A 70 -11.483 -10.315 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.425 -12.710 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.937 -13.364 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.925 -11.949 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.709 -10.601 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.034 -12.058 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.776 -10.847 -9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.057 -12.014 -9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.226 -10.200 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.047 -9.076 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.071 -9.069 -9.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.778 -9.643 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.921 -10.731 -10.277 1.00 0.00 H new ATOM 1144 N GLU A 71 -9.264 -13.161 -5.651 1.00 0.00 N ATOM 1145 CA GLU A 71 -8.129 -14.065 -5.509 1.00 0.00 C ATOM 1146 C GLU A 71 -7.911 -14.438 -4.046 1.00 0.00 C ATOM 1147 O GLU A 71 -7.845 -15.618 -3.697 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.862 -13.424 -6.079 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.703 -13.617 -7.578 1.00 0.00 C ATOM 1150 CD GLU A 71 -6.346 -15.044 -7.947 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -5.315 -15.545 -7.452 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -7.098 -15.660 -8.730 1.00 0.00 O ATOM 0 H GLU A 71 -9.066 -12.315 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.349 -14.974 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.874 -12.357 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.993 -13.845 -5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.631 -13.338 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.928 -12.945 -7.947 1.00 0.00 H new ATOM 1159 N LEU A 72 -7.795 -13.425 -3.194 1.00 0.00 N ATOM 1160 CA LEU A 72 -7.583 -13.645 -1.769 1.00 0.00 C ATOM 1161 C LEU A 72 -8.277 -14.921 -1.305 1.00 0.00 C ATOM 1162 O LEU A 72 -7.626 -15.880 -0.893 1.00 0.00 O ATOM 1163 CB LEU A 72 -8.098 -12.449 -0.965 1.00 0.00 C ATOM 1164 CG LEU A 72 -7.808 -12.473 0.536 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -6.411 -13.014 0.801 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -7.965 -11.082 1.132 1.00 0.00 C ATOM 0 H LEU A 72 -7.844 -12.443 -3.466 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.512 -13.754 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.664 -11.541 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.177 -12.380 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.529 -13.135 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.222 -13.024 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.333 -14.028 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.675 -12.378 0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.755 -11.118 2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.268 -10.398 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.985 -10.732 0.975 1.00 0.00 H new