USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 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 96 LYS NZ :NH3+ -135:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= 0.379 K(o=1.6,f=-13!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -137:sc= -0.368 (180deg=-2.64!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.554 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 79:sc= -0.211 USER MOD Single : A 81 THR OG1 : rot 42:sc= 0.21 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.723 K(o=0.72,f=-7.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0321 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.3!) USER MOD Single : A 107 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.12) USER MOD Single : A 108 SER OG : rot -99:sc= -0.0285 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 74:sc= 0.0987 USER MOD Single : A 115 SER OG : rot 38:sc= 0.989 USER MOD Single : A 117 MET CE :methyl -160:sc= -0.543 (180deg=-2.03!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 9 -12.473 -11.696 6.671 1.00 0.00 N ATOM 70 CA PRO A 9 -11.385 -10.754 6.478 1.00 0.00 C ATOM 71 C PRO A 9 -10.294 -10.951 7.534 1.00 0.00 C ATOM 72 O PRO A 9 -10.568 -11.436 8.631 1.00 0.00 O ATOM 73 CB PRO A 9 -12.035 -9.383 6.547 1.00 0.00 C ATOM 74 CG PRO A 9 -13.374 -9.590 7.234 1.00 0.00 C ATOM 75 CD PRO A 9 -13.663 -11.082 7.250 1.00 0.00 C ATOM 0 HA PRO A 9 -10.875 -10.892 5.525 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.413 -8.684 7.106 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.169 -8.964 5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.347 -9.195 8.250 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.162 -9.054 6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.840 -11.440 8.264 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.554 -11.319 6.668 1.00 0.00 H new ATOM 80 N LYS A 10 -9.080 -10.567 7.164 1.00 0.00 N ATOM 81 CA LYS A 10 -7.949 -10.695 8.067 1.00 0.00 C ATOM 82 C LYS A 10 -7.588 -9.318 8.625 1.00 0.00 C ATOM 83 O LYS A 10 -7.651 -8.318 7.911 1.00 0.00 O ATOM 84 CB LYS A 10 -6.784 -11.400 7.367 1.00 0.00 C ATOM 85 CG LYS A 10 -5.471 -11.162 8.113 1.00 0.00 C ATOM 86 CD LYS A 10 -5.413 -11.991 9.398 1.00 0.00 C ATOM 87 CE LYS A 10 -4.012 -12.567 9.616 1.00 0.00 C ATOM 88 NZ LYS A 10 -4.053 -13.673 10.599 1.00 0.00 N ATOM 0 H LYS A 10 -8.856 -10.168 6.253 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.210 -11.325 8.918 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.984 -12.470 7.308 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.696 -11.036 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.631 -11.422 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.372 -10.104 8.354 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.691 -11.369 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.139 -12.802 9.345 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.610 -12.929 8.670 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.341 -11.784 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.094 -14.052 10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.417 -13.318 11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.677 -14.427 10.247 1.00 0.00 H new ATOM 98 N THR A 11 -7.217 -9.309 9.896 1.00 0.00 N ATOM 99 CA THR A 11 -6.846 -8.071 10.560 1.00 0.00 C ATOM 100 C THR A 11 -5.489 -8.221 11.250 1.00 0.00 C ATOM 101 O THR A 11 -5.214 -9.247 11.868 1.00 0.00 O ATOM 102 CB THR A 11 -7.977 -7.690 11.519 1.00 0.00 C ATOM 103 OG1 THR A 11 -9.111 -7.531 10.671 1.00 0.00 O ATOM 104 CG2 THR A 11 -7.778 -6.306 12.139 1.00 0.00 C ATOM 0 H THR A 11 -7.165 -10.140 10.485 1.00 0.00 H new ATOM 0 HA THR A 11 -6.722 -7.260 9.842 1.00 0.00 H new ATOM 0 HB THR A 11 -8.048 -8.435 12.311 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.891 -7.285 11.211 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.608 -6.085 12.811 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.843 -6.289 12.699 1.00 0.00 H new ATOM 0 HG23 THR A 11 -7.741 -5.556 11.349 1.00 0.00 H new ATOM 112 N VAL A 12 -4.677 -7.182 11.121 1.00 0.00 N ATOM 113 CA VAL A 12 -3.356 -7.185 11.725 1.00 0.00 C ATOM 114 C VAL A 12 -3.040 -5.786 12.259 1.00 0.00 C ATOM 115 O VAL A 12 -3.169 -4.799 11.537 1.00 0.00 O ATOM 116 CB VAL A 12 -2.321 -7.687 10.715 1.00 0.00 C ATOM 117 CG1 VAL A 12 -2.119 -9.198 10.842 1.00 0.00 C ATOM 118 CG2 VAL A 12 -2.717 -7.305 9.288 1.00 0.00 C ATOM 0 H VAL A 12 -4.909 -6.332 10.607 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.325 -7.871 12.572 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.371 -7.202 10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.379 -9.529 10.113 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.770 -9.435 11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.064 -9.708 10.656 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.965 -7.674 8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.683 -7.749 9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.786 -6.220 9.208 1.00 0.00 H new ATOM 128 N THR A 13 -2.633 -5.747 13.519 1.00 0.00 N ATOM 129 CA THR A 13 -2.299 -4.486 14.158 1.00 0.00 C ATOM 130 C THR A 13 -0.784 -4.271 14.151 1.00 0.00 C ATOM 131 O THR A 13 -0.016 -5.231 14.136 1.00 0.00 O ATOM 132 CB THR A 13 -2.904 -4.493 15.564 1.00 0.00 C ATOM 133 OG1 THR A 13 -4.169 -5.128 15.393 1.00 0.00 O ATOM 134 CG2 THR A 13 -3.255 -3.087 16.057 1.00 0.00 C ATOM 0 H THR A 13 -2.527 -6.568 14.114 1.00 0.00 H new ATOM 0 HA THR A 13 -2.720 -3.642 13.611 1.00 0.00 H new ATOM 0 HB THR A 13 -2.204 -4.957 16.259 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.630 -5.177 16.256 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.680 -3.148 17.059 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.354 -2.475 16.083 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.981 -2.635 15.381 1.00 0.00 H new ATOM 142 N LEU A 14 -0.400 -3.002 14.162 1.00 0.00 N ATOM 143 CA LEU A 14 1.009 -2.648 14.157 1.00 0.00 C ATOM 144 C LEU A 14 1.235 -1.458 15.093 1.00 0.00 C ATOM 145 O LEU A 14 0.647 -0.395 14.905 1.00 0.00 O ATOM 146 CB LEU A 14 1.496 -2.405 12.727 1.00 0.00 C ATOM 147 CG LEU A 14 1.489 -3.623 11.800 1.00 0.00 C ATOM 148 CD1 LEU A 14 0.200 -3.679 10.978 1.00 0.00 C ATOM 149 CD2 LEU A 14 2.737 -3.644 10.915 1.00 0.00 C ATOM 0 H LEU A 14 -1.040 -2.208 14.174 1.00 0.00 H new ATOM 0 HA LEU A 14 1.610 -3.474 14.538 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.875 -1.629 12.280 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.512 -2.013 12.772 1.00 0.00 H new ATOM 0 HG LEU A 14 1.516 -4.522 12.415 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.221 -4.554 10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.657 -3.746 11.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.116 -2.778 10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.708 -4.519 10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.766 -2.741 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.627 -3.687 11.542 1.00 0.00 H new ATOM 160 N LYS A 15 2.089 -1.679 16.082 1.00 0.00 N ATOM 161 CA LYS A 15 2.400 -0.640 17.049 1.00 0.00 C ATOM 162 C LYS A 15 3.737 0.010 16.681 1.00 0.00 C ATOM 163 O LYS A 15 4.777 -0.646 16.712 1.00 0.00 O ATOM 164 CB LYS A 15 2.359 -1.200 18.471 1.00 0.00 C ATOM 165 CG LYS A 15 0.989 -1.804 18.784 1.00 0.00 C ATOM 166 CD LYS A 15 0.752 -3.077 17.967 1.00 0.00 C ATOM 167 CE LYS A 15 -0.066 -4.095 18.763 1.00 0.00 C ATOM 168 NZ LYS A 15 -0.350 -5.291 17.939 1.00 0.00 N ATOM 0 H LYS A 15 2.575 -2.563 16.234 1.00 0.00 H new ATOM 0 HA LYS A 15 1.644 0.145 17.020 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.131 -1.961 18.588 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.582 -0.407 19.184 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.923 -2.032 19.848 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.208 -1.076 18.565 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.230 -2.828 17.043 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.709 -3.515 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.479 -4.386 19.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.001 -3.642 19.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.340 -5.580 18.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.191 -5.067 16.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.280 -6.067 18.225 1.00 0.00 H new ATOM 178 N ARG A 16 3.664 1.288 16.342 1.00 0.00 N ATOM 179 CA ARG A 16 4.855 2.031 15.969 1.00 0.00 C ATOM 180 C ARG A 16 6.019 1.669 16.894 1.00 0.00 C ATOM 181 O ARG A 16 6.012 2.020 18.073 1.00 0.00 O ATOM 182 CB ARG A 16 4.608 3.539 16.040 1.00 0.00 C ATOM 183 CG ARG A 16 5.868 4.321 15.667 1.00 0.00 C ATOM 184 CD ARG A 16 5.542 5.464 14.704 1.00 0.00 C ATOM 185 NE ARG A 16 6.499 6.576 14.894 1.00 0.00 N ATOM 186 CZ ARG A 16 6.412 7.482 15.878 1.00 0.00 C ATOM 187 NH1 ARG A 16 5.412 7.413 16.766 1.00 0.00 N ATOM 188 NH2 ARG A 16 7.327 8.458 15.973 1.00 0.00 N ATOM 0 H ARG A 16 2.799 1.828 16.318 1.00 0.00 H new ATOM 0 HA ARG A 16 5.105 1.762 14.943 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.795 3.810 15.366 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.291 3.812 17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.331 4.722 16.569 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.594 3.650 15.207 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.587 5.107 13.675 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.525 5.816 14.876 1.00 0.00 H new ATOM 0 HE ARG A 16 7.273 6.658 14.235 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.716 6.671 16.694 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.346 8.103 17.515 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.089 8.511 15.297 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.261 9.148 16.722 1.00 0.00 H new ATOM 264 N GLY A 22 8.163 -1.727 10.484 1.00 0.00 N ATOM 265 CA GLY A 22 8.927 -2.870 10.010 1.00 0.00 C ATOM 266 C GLY A 22 8.686 -3.109 8.519 1.00 0.00 C ATOM 267 O GLY A 22 9.463 -2.657 7.680 1.00 0.00 O ATOM 0 HA2 GLY A 22 9.989 -2.701 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.646 -3.759 10.575 1.00 0.00 H new ATOM 271 N PHE A 23 7.605 -3.821 8.234 1.00 0.00 N ATOM 272 CA PHE A 23 7.251 -4.126 6.859 1.00 0.00 C ATOM 273 C PHE A 23 7.237 -2.860 6.001 1.00 0.00 C ATOM 274 O PHE A 23 7.438 -1.759 6.512 1.00 0.00 O ATOM 275 CB PHE A 23 5.845 -4.729 6.881 1.00 0.00 C ATOM 276 CG PHE A 23 4.723 -3.694 6.781 1.00 0.00 C ATOM 277 CD1 PHE A 23 4.660 -2.672 7.677 1.00 0.00 C ATOM 278 CD2 PHE A 23 3.790 -3.796 5.798 1.00 0.00 C ATOM 279 CE1 PHE A 23 3.618 -1.712 7.584 1.00 0.00 C ATOM 280 CE2 PHE A 23 2.748 -2.835 5.706 1.00 0.00 C ATOM 281 CZ PHE A 23 2.684 -1.814 6.600 1.00 0.00 C ATOM 0 H PHE A 23 6.963 -4.195 8.933 1.00 0.00 H new ATOM 0 HA PHE A 23 7.981 -4.813 6.432 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.750 -5.434 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 23 5.719 -5.298 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.402 -2.591 8.458 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.841 -4.607 5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.567 -0.900 8.295 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.006 -2.916 4.925 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.892 -1.083 6.530 1.00 0.00 H new ATOM 290 N THR A 24 6.995 -3.057 4.714 1.00 0.00 N ATOM 291 CA THR A 24 6.952 -1.944 3.781 1.00 0.00 C ATOM 292 C THR A 24 6.153 -2.325 2.532 1.00 0.00 C ATOM 293 O THR A 24 5.838 -3.495 2.327 1.00 0.00 O ATOM 294 CB THR A 24 8.392 -1.525 3.477 1.00 0.00 C ATOM 295 OG1 THR A 24 8.276 -0.699 2.321 1.00 0.00 O ATOM 296 CG2 THR A 24 9.258 -2.697 3.013 1.00 0.00 C ATOM 0 H THR A 24 6.826 -3.971 4.295 1.00 0.00 H new ATOM 0 HA THR A 24 6.433 -1.087 4.211 1.00 0.00 H new ATOM 0 HB THR A 24 8.835 -1.077 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.164 -0.382 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.269 -2.344 2.811 1.00 0.00 H new ATOM 0 HG22 THR A 24 9.288 -3.458 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.835 -3.125 2.104 1.00 0.00 H new ATOM 304 N LEU A 25 5.850 -1.314 1.733 1.00 0.00 N ATOM 305 CA LEU A 25 5.095 -1.528 0.508 1.00 0.00 C ATOM 306 C LEU A 25 5.936 -1.083 -0.689 1.00 0.00 C ATOM 307 O LEU A 25 6.947 -0.403 -0.524 1.00 0.00 O ATOM 308 CB LEU A 25 3.732 -0.840 0.594 1.00 0.00 C ATOM 309 CG LEU A 25 2.934 -1.087 1.876 1.00 0.00 C ATOM 310 CD1 LEU A 25 2.999 -2.558 2.286 1.00 0.00 C ATOM 311 CD2 LEU A 25 3.399 -0.157 2.999 1.00 0.00 C ATOM 0 H LEU A 25 6.113 -0.344 1.908 1.00 0.00 H new ATOM 0 HA LEU A 25 4.883 -2.588 0.370 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.882 0.234 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.129 -1.165 -0.254 1.00 0.00 H new ATOM 0 HG LEU A 25 1.888 -0.854 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.424 -2.707 3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.583 -3.176 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.037 -2.842 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.816 -0.353 3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.455 -0.335 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.258 0.880 2.694 1.00 0.00 H new ATOM 322 N ARG A 26 5.487 -1.486 -1.869 1.00 0.00 N ATOM 323 CA ARG A 26 6.185 -1.136 -3.095 1.00 0.00 C ATOM 324 C ARG A 26 5.373 -1.582 -4.313 1.00 0.00 C ATOM 325 O ARG A 26 4.352 -2.252 -4.172 1.00 0.00 O ATOM 326 CB ARG A 26 7.568 -1.789 -3.145 1.00 0.00 C ATOM 327 CG ARG A 26 8.663 -0.738 -3.335 1.00 0.00 C ATOM 328 CD ARG A 26 9.942 -1.372 -3.885 1.00 0.00 C ATOM 329 NE ARG A 26 9.763 -1.718 -5.313 1.00 0.00 N ATOM 330 CZ ARG A 26 10.769 -2.020 -6.145 1.00 0.00 C ATOM 331 NH1 ARG A 26 12.032 -2.019 -5.699 1.00 0.00 N ATOM 332 NH2 ARG A 26 10.512 -2.322 -7.425 1.00 0.00 N ATOM 0 H ARG A 26 4.649 -2.051 -2.002 1.00 0.00 H new ATOM 0 HA ARG A 26 6.306 -0.053 -3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.746 -2.343 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.605 -2.510 -3.962 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.314 0.037 -4.018 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.874 -0.252 -2.383 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.778 -0.681 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 26 10.189 -2.267 -3.314 1.00 0.00 H new ATOM 0 HE ARG A 26 8.814 -1.727 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 26 12.229 -1.788 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.797 -2.249 -6.333 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.551 -2.322 -7.766 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.278 -2.552 -8.058 1.00 0.00 H new ATOM 862 N ILE A 63 -1.196 -2.701 -3.302 1.00 0.00 N ATOM 863 CA ILE A 63 -0.302 -2.524 -2.172 1.00 0.00 C ATOM 864 C ILE A 63 0.148 -3.894 -1.662 1.00 0.00 C ATOM 865 O ILE A 63 -0.436 -4.434 -0.724 1.00 0.00 O ATOM 866 CB ILE A 63 -0.960 -1.655 -1.100 1.00 0.00 C ATOM 867 CG1 ILE A 63 -1.217 -0.239 -1.621 1.00 0.00 C ATOM 868 CG2 ILE A 63 -0.131 -1.648 0.187 1.00 0.00 C ATOM 869 CD1 ILE A 63 -2.716 0.048 -1.710 1.00 0.00 C ATOM 0 HA ILE A 63 0.596 -1.988 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.929 -2.091 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.743 0.487 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.761 -0.121 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.622 -1.022 0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.043 -2.665 0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.862 -1.251 -0.022 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.871 1.060 -2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.183 -0.665 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.164 -0.047 -0.721 1.00 0.00 H new ATOM 880 N PHE A 64 1.180 -4.419 -2.305 1.00 0.00 N ATOM 881 CA PHE A 64 1.715 -5.717 -1.929 1.00 0.00 C ATOM 882 C PHE A 64 2.984 -5.565 -1.088 1.00 0.00 C ATOM 883 O PHE A 64 3.840 -4.735 -1.393 1.00 0.00 O ATOM 884 CB PHE A 64 2.062 -6.451 -3.226 1.00 0.00 C ATOM 885 CG PHE A 64 0.865 -7.128 -3.898 1.00 0.00 C ATOM 886 CD1 PHE A 64 -0.399 -6.839 -3.485 1.00 0.00 C ATOM 887 CD2 PHE A 64 1.064 -8.019 -4.906 1.00 0.00 C ATOM 888 CE1 PHE A 64 -1.510 -7.468 -4.108 1.00 0.00 C ATOM 889 CE2 PHE A 64 -0.047 -8.645 -5.529 1.00 0.00 C ATOM 890 CZ PHE A 64 -1.310 -8.357 -5.117 1.00 0.00 C ATOM 0 H PHE A 64 1.660 -3.969 -3.084 1.00 0.00 H new ATOM 0 HA PHE A 64 0.982 -6.263 -1.336 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.505 -5.742 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.820 -7.205 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.557 -6.132 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.067 -8.250 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.513 -7.240 -3.780 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.111 -9.351 -6.331 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.155 -8.834 -5.591 1.00 0.00 H new ATOM 899 N VAL A 65 3.066 -6.378 -0.045 1.00 0.00 N ATOM 900 CA VAL A 65 4.217 -6.344 0.842 1.00 0.00 C ATOM 901 C VAL A 65 5.491 -6.569 0.027 1.00 0.00 C ATOM 902 O VAL A 65 5.475 -7.287 -0.973 1.00 0.00 O ATOM 903 CB VAL A 65 4.038 -7.365 1.968 1.00 0.00 C ATOM 904 CG1 VAL A 65 5.039 -7.114 3.099 1.00 0.00 C ATOM 905 CG2 VAL A 65 2.604 -7.357 2.494 1.00 0.00 C ATOM 0 H VAL A 65 2.354 -7.064 0.206 1.00 0.00 H new ATOM 0 HA VAL A 65 4.305 -5.367 1.317 1.00 0.00 H new ATOM 0 HB VAL A 65 4.237 -8.355 1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.891 -7.853 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.054 -7.196 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.885 -6.114 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.505 -8.092 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.364 -6.366 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.918 -7.607 1.685 1.00 0.00 H new ATOM 915 N LYS A 66 6.566 -5.942 0.482 1.00 0.00 N ATOM 916 CA LYS A 66 7.846 -6.066 -0.192 1.00 0.00 C ATOM 917 C LYS A 66 8.829 -6.808 0.717 1.00 0.00 C ATOM 918 O LYS A 66 9.659 -7.580 0.239 1.00 0.00 O ATOM 919 CB LYS A 66 8.347 -4.693 -0.647 1.00 0.00 C ATOM 920 CG LYS A 66 9.537 -4.831 -1.599 1.00 0.00 C ATOM 921 CD LYS A 66 10.860 -4.630 -0.857 1.00 0.00 C ATOM 922 CE LYS A 66 11.712 -3.556 -1.537 1.00 0.00 C ATOM 923 NZ LYS A 66 13.147 -3.780 -1.256 1.00 0.00 N ATOM 0 H LYS A 66 6.576 -5.346 1.310 1.00 0.00 H new ATOM 0 HA LYS A 66 7.741 -6.660 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.540 -4.154 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.638 -4.102 0.221 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.523 -5.817 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.452 -4.099 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.662 -4.342 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.410 -5.570 -0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.539 -3.573 -2.613 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.415 -2.569 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.712 -3.043 -1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.310 -3.741 -0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.430 -4.714 -1.616 1.00 0.00 H new ATOM 933 N GLN A 67 8.699 -6.549 2.009 1.00 0.00 N ATOM 934 CA GLN A 67 9.566 -7.183 2.988 1.00 0.00 C ATOM 935 C GLN A 67 8.968 -7.048 4.390 1.00 0.00 C ATOM 936 O GLN A 67 8.063 -6.244 4.608 1.00 0.00 O ATOM 937 CB GLN A 67 10.977 -6.598 2.934 1.00 0.00 C ATOM 938 CG GLN A 67 11.801 -7.253 1.823 1.00 0.00 C ATOM 939 CD GLN A 67 13.278 -7.339 2.214 1.00 0.00 C ATOM 940 OE1 GLN A 67 13.935 -6.346 2.479 1.00 0.00 O ATOM 941 NE2 GLN A 67 13.760 -8.578 2.235 1.00 0.00 N ATOM 0 H GLN A 67 8.008 -5.910 2.401 1.00 0.00 H new ATOM 0 HA GLN A 67 9.641 -8.243 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 67 10.922 -5.523 2.765 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.472 -6.745 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.416 -8.252 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.698 -6.679 0.902 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.154 -9.365 2.002 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.735 -8.742 2.484 1.00 0.00 H new ATOM 948 N VAL A 68 9.501 -7.844 5.306 1.00 0.00 N ATOM 949 CA VAL A 68 9.032 -7.821 6.681 1.00 0.00 C ATOM 950 C VAL A 68 10.236 -7.816 7.625 1.00 0.00 C ATOM 951 O VAL A 68 11.086 -8.703 7.558 1.00 0.00 O ATOM 952 CB VAL A 68 8.083 -8.997 6.929 1.00 0.00 C ATOM 953 CG1 VAL A 68 7.763 -9.136 8.419 1.00 0.00 C ATOM 954 CG2 VAL A 68 6.804 -8.851 6.104 1.00 0.00 C ATOM 0 H VAL A 68 10.253 -8.509 5.123 1.00 0.00 H new ATOM 0 HA VAL A 68 8.462 -6.913 6.876 1.00 0.00 H new ATOM 0 HB VAL A 68 8.586 -9.909 6.608 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.087 -9.978 8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.685 -9.307 8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.288 -8.222 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 68 6.147 -9.699 6.298 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.296 -7.927 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.056 -8.823 5.044 1.00 0.00 H new ATOM 964 N LYS A 69 10.271 -6.807 8.483 1.00 0.00 N ATOM 965 CA LYS A 69 11.357 -6.674 9.440 1.00 0.00 C ATOM 966 C LYS A 69 11.320 -7.855 10.413 1.00 0.00 C ATOM 967 O LYS A 69 10.320 -8.070 11.095 1.00 0.00 O ATOM 968 CB LYS A 69 11.301 -5.309 10.127 1.00 0.00 C ATOM 969 CG LYS A 69 11.843 -5.391 11.556 1.00 0.00 C ATOM 970 CD LYS A 69 13.337 -5.719 11.556 1.00 0.00 C ATOM 971 CE LYS A 69 14.174 -4.465 11.814 1.00 0.00 C ATOM 972 NZ LYS A 69 15.559 -4.833 12.189 1.00 0.00 N ATOM 0 H LYS A 69 9.564 -6.073 8.536 1.00 0.00 H new ATOM 0 HA LYS A 69 12.320 -6.709 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.882 -4.586 9.555 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.272 -4.949 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.675 -4.443 12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.299 -6.155 12.112 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.549 -6.466 12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.617 -6.156 10.598 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.187 -3.839 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.720 -3.875 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.113 -3.970 12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.543 -5.411 13.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.995 -5.377 11.417 1.00 0.00 H new ATOM 982 N GLU A 70 12.424 -8.587 10.445 1.00 0.00 N ATOM 983 CA GLU A 70 12.531 -9.740 11.323 1.00 0.00 C ATOM 984 C GLU A 70 12.619 -9.289 12.783 1.00 0.00 C ATOM 985 O GLU A 70 13.703 -8.980 13.276 1.00 0.00 O ATOM 986 CB GLU A 70 13.732 -10.608 10.944 1.00 0.00 C ATOM 987 CG GLU A 70 13.533 -12.052 11.409 1.00 0.00 C ATOM 988 CD GLU A 70 14.346 -12.339 12.673 1.00 0.00 C ATOM 989 OE1 GLU A 70 15.564 -12.056 12.639 1.00 0.00 O ATOM 990 OE2 GLU A 70 13.733 -12.833 13.643 1.00 0.00 O ATOM 0 H GLU A 70 13.252 -8.404 9.878 1.00 0.00 H new ATOM 0 HA GLU A 70 11.634 -10.347 11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 70 13.874 -10.586 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 70 14.637 -10.199 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.476 -12.232 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 70 13.833 -12.737 10.616 1.00 0.00 H new ATOM 995 N GLY A 71 11.465 -9.264 13.433 1.00 0.00 N ATOM 996 CA GLY A 71 11.399 -8.856 14.826 1.00 0.00 C ATOM 997 C GLY A 71 10.651 -7.528 14.972 1.00 0.00 C ATOM 998 O GLY A 71 10.878 -6.787 15.928 1.00 0.00 O ATOM 0 H GLY A 71 10.568 -9.520 13.021 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.897 -9.627 15.411 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.407 -8.756 15.228 1.00 0.00 H new ATOM 1002 N GLY A 72 9.777 -7.268 14.013 1.00 0.00 N ATOM 1003 CA GLY A 72 8.996 -6.043 14.023 1.00 0.00 C ATOM 1004 C GLY A 72 7.543 -6.322 14.409 1.00 0.00 C ATOM 1005 O GLY A 72 7.223 -7.405 14.899 1.00 0.00 O ATOM 0 H GLY A 72 9.592 -7.885 13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.433 -5.335 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.031 -5.577 13.038 1.00 0.00 H new ATOM 1009 N PRO A 73 6.677 -5.301 14.168 1.00 0.00 N ATOM 1010 CA PRO A 73 5.265 -5.426 14.485 1.00 0.00 C ATOM 1011 C PRO A 73 4.551 -6.317 13.466 1.00 0.00 C ATOM 1012 O PRO A 73 3.932 -7.315 13.834 1.00 0.00 O ATOM 1013 CB PRO A 73 4.737 -4.002 14.500 1.00 0.00 C ATOM 1014 CG PRO A 73 5.758 -3.171 13.738 1.00 0.00 C ATOM 1015 CD PRO A 73 7.019 -4.006 13.590 1.00 0.00 C ATOM 0 HA PRO A 73 5.091 -5.911 15.446 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.756 -3.944 14.028 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.622 -3.639 15.521 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.368 -2.891 12.759 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.973 -2.246 14.273 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.308 -4.104 12.544 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.860 -3.549 14.112 1.00 0.00 H new ATOM 1020 N ALA A 74 4.663 -5.926 12.205 1.00 0.00 N ATOM 1021 CA ALA A 74 4.036 -6.678 11.130 1.00 0.00 C ATOM 1022 C ALA A 74 4.406 -8.156 11.265 1.00 0.00 C ATOM 1023 O ALA A 74 3.544 -9.027 11.162 1.00 0.00 O ATOM 1024 CB ALA A 74 4.459 -6.090 9.783 1.00 0.00 C ATOM 0 H ALA A 74 5.178 -5.099 11.903 1.00 0.00 H new ATOM 0 HA ALA A 74 2.950 -6.604 11.191 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.989 -6.653 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.147 -5.047 9.727 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.543 -6.150 9.684 1.00 0.00 H new ATOM 1030 N PHE A 75 5.689 -8.394 11.490 1.00 0.00 N ATOM 1031 CA PHE A 75 6.183 -9.751 11.640 1.00 0.00 C ATOM 1032 C PHE A 75 5.400 -10.506 12.718 1.00 0.00 C ATOM 1033 O PHE A 75 4.999 -11.650 12.512 1.00 0.00 O ATOM 1034 CB PHE A 75 7.648 -9.651 12.067 1.00 0.00 C ATOM 1035 CG PHE A 75 8.178 -10.899 12.775 1.00 0.00 C ATOM 1036 CD1 PHE A 75 8.205 -12.091 12.121 1.00 0.00 C ATOM 1037 CD2 PHE A 75 8.623 -10.817 14.058 1.00 0.00 C ATOM 1038 CE1 PHE A 75 8.697 -13.251 12.778 1.00 0.00 C ATOM 1039 CE2 PHE A 75 9.113 -11.978 14.714 1.00 0.00 C ATOM 1040 CZ PHE A 75 9.141 -13.169 14.061 1.00 0.00 C ATOM 0 H PHE A 75 6.402 -7.669 11.572 1.00 0.00 H new ATOM 0 HA PHE A 75 6.069 -10.292 10.701 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.260 -9.459 11.186 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.765 -8.793 12.729 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.852 -12.156 11.102 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.604 -9.870 14.577 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.718 -14.198 12.259 1.00 0.00 H new ATOM 0 HE2 PHE A 75 9.464 -11.914 15.733 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.516 -14.050 14.560 1.00 0.00 H new ATOM 1049 N GLU A 76 5.206 -9.832 13.842 1.00 0.00 N ATOM 1050 CA GLU A 76 4.479 -10.425 14.953 1.00 0.00 C ATOM 1051 C GLU A 76 2.986 -10.503 14.627 1.00 0.00 C ATOM 1052 O GLU A 76 2.366 -11.551 14.792 1.00 0.00 O ATOM 1053 CB GLU A 76 4.719 -9.641 16.244 1.00 0.00 C ATOM 1054 CG GLU A 76 6.216 -9.480 16.518 1.00 0.00 C ATOM 1055 CD GLU A 76 6.640 -10.293 17.744 1.00 0.00 C ATOM 1056 OE1 GLU A 76 6.089 -11.403 17.906 1.00 0.00 O ATOM 1057 OE2 GLU A 76 7.504 -9.785 18.491 1.00 0.00 O ATOM 0 H GLU A 76 5.539 -8.882 14.008 1.00 0.00 H new ATOM 0 HA GLU A 76 4.850 -11.438 15.108 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.252 -8.659 16.169 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.246 -10.156 17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.786 -9.805 15.647 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.449 -8.427 16.677 1.00 0.00 H new ATOM 1062 N ALA A 77 2.453 -9.378 14.172 1.00 0.00 N ATOM 1063 CA ALA A 77 1.045 -9.306 13.822 1.00 0.00 C ATOM 1064 C ALA A 77 0.675 -10.513 12.957 1.00 0.00 C ATOM 1065 O ALA A 77 -0.483 -10.924 12.920 1.00 0.00 O ATOM 1066 CB ALA A 77 0.760 -7.977 13.120 1.00 0.00 C ATOM 0 H ALA A 77 2.971 -8.510 14.038 1.00 0.00 H new ATOM 0 HA ALA A 77 0.426 -9.341 14.718 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.297 -7.923 12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.011 -7.152 13.787 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.363 -7.907 12.215 1.00 0.00 H new ATOM 1072 N GLY A 78 1.683 -11.046 12.282 1.00 0.00 N ATOM 1073 CA GLY A 78 1.480 -12.198 11.419 1.00 0.00 C ATOM 1074 C GLY A 78 1.630 -11.813 9.947 1.00 0.00 C ATOM 1075 O GLY A 78 1.371 -12.625 9.060 1.00 0.00 O ATOM 0 H GLY A 78 2.643 -10.702 12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.200 -12.976 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.488 -12.615 11.590 1.00 0.00 H new ATOM 1079 N LEU A 79 2.048 -10.575 9.732 1.00 0.00 N ATOM 1080 CA LEU A 79 2.237 -10.073 8.381 1.00 0.00 C ATOM 1081 C LEU A 79 3.415 -10.799 7.731 1.00 0.00 C ATOM 1082 O LEU A 79 4.368 -11.178 8.411 1.00 0.00 O ATOM 1083 CB LEU A 79 2.384 -8.550 8.392 1.00 0.00 C ATOM 1084 CG LEU A 79 1.622 -7.795 7.300 1.00 0.00 C ATOM 1085 CD1 LEU A 79 0.116 -7.820 7.562 1.00 0.00 C ATOM 1086 CD2 LEU A 79 2.154 -6.369 7.147 1.00 0.00 C ATOM 0 H LEU A 79 2.261 -9.904 10.470 1.00 0.00 H new ATOM 0 HA LEU A 79 1.358 -10.282 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.052 -8.180 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.443 -8.306 8.304 1.00 0.00 H new ATOM 0 HG LEU A 79 1.791 -8.306 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.400 -7.276 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.233 -8.852 7.580 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.094 -7.349 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.596 -5.854 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.036 -5.834 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.210 -6.401 6.878 1.00 0.00 H new ATOM 1097 N CYS A 80 3.313 -10.973 6.421 1.00 0.00 N ATOM 1098 CA CYS A 80 4.359 -11.648 5.672 1.00 0.00 C ATOM 1099 C CYS A 80 4.499 -10.956 4.313 1.00 0.00 C ATOM 1100 O CYS A 80 4.079 -9.811 4.150 1.00 0.00 O ATOM 1101 CB CYS A 80 4.074 -13.143 5.523 1.00 0.00 C ATOM 1102 SG CYS A 80 2.680 -13.403 4.366 1.00 0.00 S ATOM 0 H CYS A 80 2.522 -10.658 5.860 1.00 0.00 H new ATOM 0 HA CYS A 80 5.302 -11.577 6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.963 -13.656 5.156 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.836 -13.575 6.495 1.00 0.00 H new ATOM 0 HG CYS A 80 3.104 -13.287 3.143 1.00 0.00 H new ATOM 1107 N THR A 81 5.091 -11.679 3.375 1.00 0.00 N ATOM 1108 CA THR A 81 5.294 -11.149 2.038 1.00 0.00 C ATOM 1109 C THR A 81 4.278 -11.756 1.066 1.00 0.00 C ATOM 1110 O THR A 81 4.107 -12.974 1.022 1.00 0.00 O ATOM 1111 CB THR A 81 6.746 -11.411 1.639 1.00 0.00 C ATOM 1112 OG1 THR A 81 6.894 -12.822 1.771 1.00 0.00 O ATOM 1113 CG2 THR A 81 7.743 -10.836 2.648 1.00 0.00 C ATOM 0 H THR A 81 5.437 -12.628 3.514 1.00 0.00 H new ATOM 0 HA THR A 81 5.125 -10.073 2.009 1.00 0.00 H new ATOM 0 HB THR A 81 6.935 -10.981 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.096 -13.269 1.418 1.00 0.00 H new ATOM 0 HG21 THR A 81 8.759 -11.050 2.317 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.605 -9.757 2.722 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.576 -11.291 3.624 1.00 0.00 H new ATOM 1121 N GLY A 82 3.632 -10.879 0.312 1.00 0.00 N ATOM 1122 CA GLY A 82 2.639 -11.313 -0.656 1.00 0.00 C ATOM 1123 C GLY A 82 1.239 -10.847 -0.252 1.00 0.00 C ATOM 1124 O GLY A 82 0.389 -10.607 -1.109 1.00 0.00 O ATOM 0 H GLY A 82 3.777 -9.870 0.352 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.888 -10.917 -1.640 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.655 -12.400 -0.737 1.00 0.00 H new ATOM 1128 N ASP A 83 1.043 -10.732 1.054 1.00 0.00 N ATOM 1129 CA ASP A 83 -0.240 -10.297 1.582 1.00 0.00 C ATOM 1130 C ASP A 83 -0.568 -8.907 1.035 1.00 0.00 C ATOM 1131 O ASP A 83 0.254 -7.996 1.117 1.00 0.00 O ATOM 1132 CB ASP A 83 -0.206 -10.212 3.108 1.00 0.00 C ATOM 1133 CG ASP A 83 0.337 -8.894 3.668 1.00 0.00 C ATOM 1134 OD1 ASP A 83 -0.343 -7.866 3.460 1.00 0.00 O ATOM 1135 OD2 ASP A 83 1.418 -8.946 4.293 1.00 0.00 O ATOM 0 H ASP A 83 1.750 -10.932 1.761 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.994 -11.024 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.216 -10.363 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.404 -11.031 3.490 1.00 0.00 H new ATOM 1139 N ARG A 84 -1.769 -8.788 0.490 1.00 0.00 N ATOM 1140 CA ARG A 84 -2.216 -7.524 -0.069 1.00 0.00 C ATOM 1141 C ARG A 84 -3.018 -6.738 0.971 1.00 0.00 C ATOM 1142 O ARG A 84 -3.627 -7.324 1.864 1.00 0.00 O ATOM 1143 CB ARG A 84 -3.082 -7.746 -1.309 1.00 0.00 C ATOM 1144 CG ARG A 84 -4.341 -8.546 -0.965 1.00 0.00 C ATOM 1145 CD ARG A 84 -5.529 -8.093 -1.817 1.00 0.00 C ATOM 1146 NE ARG A 84 -6.601 -9.112 -1.771 1.00 0.00 N ATOM 1147 CZ ARG A 84 -6.514 -10.322 -2.340 1.00 0.00 C ATOM 1148 NH1 ARG A 84 -5.404 -10.672 -3.002 1.00 0.00 N ATOM 1149 NH2 ARG A 84 -7.538 -11.182 -2.246 1.00 0.00 N ATOM 0 H ARG A 84 -2.447 -9.547 0.424 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.331 -6.956 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.364 -6.784 -1.737 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.507 -8.276 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.157 -9.608 -1.127 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.578 -8.421 0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.907 -7.138 -1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -5.209 -7.935 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.461 -8.878 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.625 -10.018 -3.073 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.338 -11.593 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.383 -10.915 -1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.472 -12.103 -2.679 1.00 0.00 H new ATOM 1160 N ILE A 85 -2.994 -5.422 0.818 1.00 0.00 N ATOM 1161 CA ILE A 85 -3.712 -4.550 1.732 1.00 0.00 C ATOM 1162 C ILE A 85 -5.117 -4.292 1.188 1.00 0.00 C ATOM 1163 O ILE A 85 -5.278 -3.882 0.038 1.00 0.00 O ATOM 1164 CB ILE A 85 -2.911 -3.272 1.993 1.00 0.00 C ATOM 1165 CG1 ILE A 85 -1.455 -3.598 2.335 1.00 0.00 C ATOM 1166 CG2 ILE A 85 -3.576 -2.419 3.074 1.00 0.00 C ATOM 1167 CD1 ILE A 85 -1.374 -4.658 3.434 1.00 0.00 C ATOM 0 H ILE A 85 -2.489 -4.939 0.075 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.829 -5.031 2.703 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.903 -2.681 1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -0.939 -3.954 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.943 -2.692 2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.987 -1.517 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.580 -2.142 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.636 -2.989 4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.329 -4.871 3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.870 -4.289 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.866 -5.570 3.097 1.00 0.00 H new ATOM 1178 N ILE A 86 -6.102 -4.546 2.037 1.00 0.00 N ATOM 1179 CA ILE A 86 -7.491 -4.348 1.655 1.00 0.00 C ATOM 1180 C ILE A 86 -8.091 -3.222 2.499 1.00 0.00 C ATOM 1181 O ILE A 86 -8.892 -2.430 2.005 1.00 0.00 O ATOM 1182 CB ILE A 86 -8.264 -5.665 1.746 1.00 0.00 C ATOM 1183 CG1 ILE A 86 -7.888 -6.435 3.013 1.00 0.00 C ATOM 1184 CG2 ILE A 86 -8.065 -6.505 0.483 1.00 0.00 C ATOM 1185 CD1 ILE A 86 -9.047 -7.316 3.483 1.00 0.00 C ATOM 0 H ILE A 86 -5.966 -4.887 2.989 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.560 -4.037 0.613 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.327 -5.434 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.011 -7.053 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.616 -5.734 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.625 -7.436 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.422 -5.949 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.006 -6.729 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.754 -7.853 4.385 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -9.914 -6.692 3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.300 -8.032 2.701 1.00 0.00 H new ATOM 1196 N LYS A 87 -7.681 -3.186 3.758 1.00 0.00 N ATOM 1197 CA LYS A 87 -8.170 -2.171 4.677 1.00 0.00 C ATOM 1198 C LYS A 87 -7.043 -1.771 5.632 1.00 0.00 C ATOM 1199 O LYS A 87 -6.026 -2.456 5.720 1.00 0.00 O ATOM 1200 CB LYS A 87 -9.435 -2.653 5.386 1.00 0.00 C ATOM 1201 CG LYS A 87 -10.579 -2.853 4.391 1.00 0.00 C ATOM 1202 CD LYS A 87 -10.446 -4.191 3.662 1.00 0.00 C ATOM 1203 CE LYS A 87 -11.556 -5.157 4.083 1.00 0.00 C ATOM 1204 NZ LYS A 87 -12.808 -4.860 3.353 1.00 0.00 N ATOM 0 H LYS A 87 -7.015 -3.843 4.164 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.462 -1.273 4.133 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.231 -3.590 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.730 -1.927 6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.533 -2.815 4.916 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.581 -2.039 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.489 -4.028 2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.473 -4.632 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.247 -6.183 3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.727 -5.078 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.550 -5.525 3.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.110 -3.887 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.645 -4.959 2.331 1.00 0.00 H new ATOM 1214 N VAL A 88 -7.263 -0.660 6.322 1.00 0.00 N ATOM 1215 CA VAL A 88 -6.280 -0.160 7.268 1.00 0.00 C ATOM 1216 C VAL A 88 -6.935 0.000 8.641 1.00 0.00 C ATOM 1217 O VAL A 88 -7.462 -0.962 9.197 1.00 0.00 O ATOM 1218 CB VAL A 88 -5.665 1.140 6.745 1.00 0.00 C ATOM 1219 CG1 VAL A 88 -4.504 1.593 7.632 1.00 0.00 C ATOM 1220 CG2 VAL A 88 -5.215 0.986 5.290 1.00 0.00 C ATOM 0 H VAL A 88 -8.107 -0.093 6.244 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.461 -0.871 7.379 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.434 1.912 6.779 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.085 2.519 7.238 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.865 1.761 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.733 0.822 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.782 1.924 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.469 0.194 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.073 0.731 4.669 1.00 0.00 H new ATOM 1230 N ASN A 89 -6.880 1.222 9.150 1.00 0.00 N ATOM 1231 CA ASN A 89 -7.462 1.521 10.447 1.00 0.00 C ATOM 1232 C ASN A 89 -8.970 1.727 10.290 1.00 0.00 C ATOM 1233 O ASN A 89 -9.460 2.850 10.395 1.00 0.00 O ATOM 1234 CB ASN A 89 -6.868 2.802 11.035 1.00 0.00 C ATOM 1235 CG ASN A 89 -5.447 2.562 11.550 1.00 0.00 C ATOM 1236 OD1 ASN A 89 -5.172 1.622 12.278 1.00 0.00 O ATOM 1237 ND2 ASN A 89 -4.561 3.462 11.130 1.00 0.00 N ATOM 0 H ASN A 89 -6.441 2.017 8.687 1.00 0.00 H new ATOM 0 HA ASN A 89 -7.248 0.685 11.113 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -6.856 3.584 10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.498 3.159 11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -3.585 3.389 11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -4.858 4.225 10.521 1.00 0.00 H new ATOM 1243 N GLY A 90 -9.663 0.625 10.043 1.00 0.00 N ATOM 1244 CA GLY A 90 -11.105 0.671 9.870 1.00 0.00 C ATOM 1245 C GLY A 90 -11.486 1.527 8.662 1.00 0.00 C ATOM 1246 O GLY A 90 -12.580 2.087 8.612 1.00 0.00 O ATOM 0 H GLY A 90 -9.253 -0.305 9.959 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.491 -0.340 9.740 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.570 1.077 10.769 1.00 0.00 H new ATOM 1250 N GLU A 91 -10.561 1.604 7.716 1.00 0.00 N ATOM 1251 CA GLU A 91 -10.786 2.383 6.510 1.00 0.00 C ATOM 1252 C GLU A 91 -11.074 1.458 5.327 1.00 0.00 C ATOM 1253 O GLU A 91 -11.148 0.242 5.489 1.00 0.00 O ATOM 1254 CB GLU A 91 -9.593 3.295 6.215 1.00 0.00 C ATOM 1255 CG GLU A 91 -10.043 4.747 6.040 1.00 0.00 C ATOM 1256 CD GLU A 91 -8.950 5.718 6.494 1.00 0.00 C ATOM 1257 OE1 GLU A 91 -7.909 5.217 6.969 1.00 0.00 O ATOM 1258 OE2 GLU A 91 -9.183 6.937 6.357 1.00 0.00 O ATOM 0 H GLU A 91 -9.654 1.140 7.760 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.657 3.019 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.871 3.230 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.086 2.956 5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.288 4.932 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.952 4.922 6.616 1.00 0.00 H new ATOM 1263 N SER A 92 -11.230 2.071 4.162 1.00 0.00 N ATOM 1264 CA SER A 92 -11.508 1.316 2.952 1.00 0.00 C ATOM 1265 C SER A 92 -10.632 1.824 1.805 1.00 0.00 C ATOM 1266 O SER A 92 -10.856 2.916 1.284 1.00 0.00 O ATOM 1267 CB SER A 92 -12.988 1.413 2.571 1.00 0.00 C ATOM 1268 OG SER A 92 -13.842 1.033 3.646 1.00 0.00 O ATOM 0 H SER A 92 -11.169 3.081 4.031 1.00 0.00 H new ATOM 0 HA SER A 92 -11.276 0.268 3.142 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.218 2.435 2.269 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.183 0.774 1.710 1.00 0.00 H new ATOM 0 HG SER A 92 -14.777 1.110 3.364 1.00 0.00 H new ATOM 1273 N VAL A 93 -9.652 1.009 1.446 1.00 0.00 N ATOM 1274 CA VAL A 93 -8.742 1.362 0.371 1.00 0.00 C ATOM 1275 C VAL A 93 -9.001 0.453 -0.832 1.00 0.00 C ATOM 1276 O VAL A 93 -8.064 -0.091 -1.417 1.00 0.00 O ATOM 1277 CB VAL A 93 -7.295 1.299 0.868 1.00 0.00 C ATOM 1278 CG1 VAL A 93 -7.119 2.116 2.149 1.00 0.00 C ATOM 1279 CG2 VAL A 93 -6.850 -0.151 1.076 1.00 0.00 C ATOM 0 H VAL A 93 -9.468 0.105 1.881 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.916 2.388 0.046 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.657 1.739 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.082 2.054 2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.376 3.157 1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.773 1.720 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.819 -0.168 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.495 -0.627 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.919 -0.692 0.132 1.00 0.00 H new ATOM 1289 N ILE A 94 -10.276 0.315 -1.165 1.00 0.00 N ATOM 1290 CA ILE A 94 -10.669 -0.519 -2.287 1.00 0.00 C ATOM 1291 C ILE A 94 -10.119 0.081 -3.583 1.00 0.00 C ATOM 1292 O ILE A 94 -9.330 -0.556 -4.281 1.00 0.00 O ATOM 1293 CB ILE A 94 -12.186 -0.720 -2.298 1.00 0.00 C ATOM 1294 CG1 ILE A 94 -12.612 -1.740 -1.241 1.00 0.00 C ATOM 1295 CG2 ILE A 94 -12.678 -1.105 -3.696 1.00 0.00 C ATOM 1296 CD1 ILE A 94 -14.133 -1.751 -1.072 1.00 0.00 C ATOM 0 H ILE A 94 -11.050 0.767 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 94 -10.238 -1.515 -2.190 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.658 0.228 -2.039 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.267 -2.733 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -12.138 -1.502 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.759 -1.242 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -12.425 -0.313 -4.401 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.200 -2.034 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -14.410 -2.485 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.472 -0.763 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -14.603 -2.013 -2.020 1.00 0.00 H new ATOM 1307 N GLY A 95 -10.556 1.299 -3.865 1.00 0.00 N ATOM 1308 CA GLY A 95 -10.117 1.993 -5.063 1.00 0.00 C ATOM 1309 C GLY A 95 -9.228 3.188 -4.711 1.00 0.00 C ATOM 1310 O GLY A 95 -9.065 4.103 -5.517 1.00 0.00 O ATOM 0 H GLY A 95 -11.210 1.823 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.569 1.304 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.984 2.335 -5.628 1.00 0.00 H new ATOM 1314 N LYS A 96 -8.678 3.141 -3.506 1.00 0.00 N ATOM 1315 CA LYS A 96 -7.811 4.208 -3.038 1.00 0.00 C ATOM 1316 C LYS A 96 -6.453 4.100 -3.735 1.00 0.00 C ATOM 1317 O LYS A 96 -6.121 3.057 -4.295 1.00 0.00 O ATOM 1318 CB LYS A 96 -7.720 4.194 -1.511 1.00 0.00 C ATOM 1319 CG LYS A 96 -8.965 4.823 -0.882 1.00 0.00 C ATOM 1320 CD LYS A 96 -8.705 5.217 0.573 1.00 0.00 C ATOM 1321 CE LYS A 96 -9.984 5.727 1.240 1.00 0.00 C ATOM 1322 NZ LYS A 96 -10.257 7.124 0.838 1.00 0.00 N ATOM 0 H LYS A 96 -8.816 2.381 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.229 5.180 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.609 3.168 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.832 4.739 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.260 5.703 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -9.796 4.119 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.321 4.358 1.123 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.937 5.990 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.825 5.091 0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.885 5.667 2.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -10.520 7.681 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.405 7.533 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -11.038 7.141 0.152 1.00 0.00 H new ATOM 1332 N THR A 97 -5.706 5.192 -3.678 1.00 0.00 N ATOM 1333 CA THR A 97 -4.392 5.233 -4.297 1.00 0.00 C ATOM 1334 C THR A 97 -3.301 5.023 -3.246 1.00 0.00 C ATOM 1335 O THR A 97 -3.543 5.188 -2.052 1.00 0.00 O ATOM 1336 CB THR A 97 -4.264 6.560 -5.049 1.00 0.00 C ATOM 1337 OG1 THR A 97 -2.875 6.655 -5.352 1.00 0.00 O ATOM 1338 CG2 THR A 97 -4.533 7.769 -4.151 1.00 0.00 C ATOM 0 H THR A 97 -5.985 6.056 -3.213 1.00 0.00 H new ATOM 0 HA THR A 97 -4.268 4.423 -5.015 1.00 0.00 H new ATOM 0 HB THR A 97 -4.958 6.570 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.703 7.486 -5.842 1.00 0.00 H new ATOM 0 HG21 THR A 97 -4.429 8.685 -4.733 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.545 7.706 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 97 -3.817 7.778 -3.329 1.00 0.00 H new ATOM 1346 N TYR A 98 -2.121 4.661 -3.728 1.00 0.00 N ATOM 1347 CA TYR A 98 -0.991 4.426 -2.845 1.00 0.00 C ATOM 1348 C TYR A 98 -0.789 5.603 -1.888 1.00 0.00 C ATOM 1349 O TYR A 98 -0.715 5.414 -0.675 1.00 0.00 O ATOM 1350 CB TYR A 98 0.236 4.309 -3.752 1.00 0.00 C ATOM 1351 CG TYR A 98 1.523 3.940 -3.012 1.00 0.00 C ATOM 1352 CD1 TYR A 98 1.570 2.803 -2.232 1.00 0.00 C ATOM 1353 CD2 TYR A 98 2.639 4.746 -3.124 1.00 0.00 C ATOM 1354 CE1 TYR A 98 2.782 2.456 -1.536 1.00 0.00 C ATOM 1355 CE2 TYR A 98 3.850 4.400 -2.428 1.00 0.00 C ATOM 1356 CZ TYR A 98 3.862 3.272 -1.668 1.00 0.00 C ATOM 1357 OH TYR A 98 5.008 2.945 -1.010 1.00 0.00 O ATOM 0 H TYR A 98 -1.923 4.525 -4.719 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.154 3.532 -2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.040 3.557 -4.516 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.385 5.257 -4.269 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.697 2.173 -2.143 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.603 5.636 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.832 1.568 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.729 5.022 -2.507 1.00 0.00 H new ATOM 0 HH TYR A 98 5.696 3.617 -1.198 1.00 0.00 H new ATOM 1366 N SER A 99 -0.707 6.791 -2.470 1.00 0.00 N ATOM 1367 CA SER A 99 -0.517 7.997 -1.682 1.00 0.00 C ATOM 1368 C SER A 99 -1.524 8.036 -0.531 1.00 0.00 C ATOM 1369 O SER A 99 -1.166 8.363 0.599 1.00 0.00 O ATOM 1370 CB SER A 99 -0.656 9.249 -2.552 1.00 0.00 C ATOM 1371 OG SER A 99 -0.271 10.430 -1.852 1.00 0.00 O ATOM 0 H SER A 99 -0.769 6.944 -3.477 1.00 0.00 H new ATOM 0 HA SER A 99 0.492 7.982 -1.271 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.041 9.140 -3.445 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.689 9.346 -2.886 1.00 0.00 H new ATOM 0 HG SER A 99 -0.372 11.207 -2.441 1.00 0.00 H new ATOM 1376 N GLN A 100 -2.762 7.696 -0.858 1.00 0.00 N ATOM 1377 CA GLN A 100 -3.823 7.688 0.134 1.00 0.00 C ATOM 1378 C GLN A 100 -3.484 6.715 1.266 1.00 0.00 C ATOM 1379 O GLN A 100 -3.214 7.135 2.390 1.00 0.00 O ATOM 1380 CB GLN A 100 -5.169 7.339 -0.503 1.00 0.00 C ATOM 1381 CG GLN A 100 -5.894 8.599 -0.979 1.00 0.00 C ATOM 1382 CD GLN A 100 -7.410 8.442 -0.848 1.00 0.00 C ATOM 1383 OE1 GLN A 100 -7.950 8.246 0.229 1.00 0.00 O ATOM 1384 NE2 GLN A 100 -8.066 8.538 -2.001 1.00 0.00 N ATOM 0 H GLN A 100 -3.054 7.424 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.907 8.690 0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.013 6.665 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.790 6.809 0.219 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.562 9.457 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.634 8.802 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.553 8.703 -2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.082 8.447 -2.019 1.00 0.00 H new ATOM 1391 N VAL A 101 -3.509 5.435 0.928 1.00 0.00 N ATOM 1392 CA VAL A 101 -3.206 4.399 1.901 1.00 0.00 C ATOM 1393 C VAL A 101 -1.920 4.762 2.645 1.00 0.00 C ATOM 1394 O VAL A 101 -1.833 4.599 3.861 1.00 0.00 O ATOM 1395 CB VAL A 101 -3.135 3.036 1.211 1.00 0.00 C ATOM 1396 CG1 VAL A 101 -4.514 2.599 0.713 1.00 0.00 C ATOM 1397 CG2 VAL A 101 -2.118 3.056 0.065 1.00 0.00 C ATOM 0 H VAL A 101 -3.734 5.091 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.001 4.330 2.644 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.799 2.305 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.434 1.627 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.200 2.527 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -4.892 3.331 -0.000 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.086 2.075 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.412 3.806 -0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.131 3.301 0.458 1.00 0.00 H new ATOM 1407 N ILE A 102 -0.951 5.246 1.882 1.00 0.00 N ATOM 1408 CA ILE A 102 0.329 5.635 2.452 1.00 0.00 C ATOM 1409 C ILE A 102 0.090 6.573 3.637 1.00 0.00 C ATOM 1410 O ILE A 102 0.603 6.340 4.730 1.00 0.00 O ATOM 1411 CB ILE A 102 1.239 6.225 1.374 1.00 0.00 C ATOM 1412 CG1 ILE A 102 1.838 5.121 0.498 1.00 0.00 C ATOM 1413 CG2 ILE A 102 2.319 7.114 1.995 1.00 0.00 C ATOM 1414 CD1 ILE A 102 2.929 4.356 1.250 1.00 0.00 C ATOM 0 H ILE A 102 -1.026 5.378 0.873 1.00 0.00 H new ATOM 0 HA ILE A 102 0.856 4.762 2.837 1.00 0.00 H new ATOM 0 HB ILE A 102 0.635 6.859 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.053 4.431 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.255 5.558 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.953 7.521 1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.848 7.932 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.927 6.523 2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.338 3.578 0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.724 5.044 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.503 3.900 2.144 1.00 0.00 H new ATOM 1425 N ALA A 103 -0.688 7.613 3.379 1.00 0.00 N ATOM 1426 CA ALA A 103 -1.000 8.589 4.411 1.00 0.00 C ATOM 1427 C ALA A 103 -1.703 7.885 5.574 1.00 0.00 C ATOM 1428 O ALA A 103 -1.391 8.138 6.737 1.00 0.00 O ATOM 1429 CB ALA A 103 -1.847 9.713 3.812 1.00 0.00 C ATOM 0 H ALA A 103 -1.112 7.802 2.471 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.088 9.041 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.081 10.444 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.292 10.199 3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.773 9.298 3.413 1.00 0.00 H new ATOM 1435 N LEU A 104 -2.639 7.017 5.221 1.00 0.00 N ATOM 1436 CA LEU A 104 -3.389 6.275 6.220 1.00 0.00 C ATOM 1437 C LEU A 104 -2.412 5.595 7.181 1.00 0.00 C ATOM 1438 O LEU A 104 -2.764 5.301 8.323 1.00 0.00 O ATOM 1439 CB LEU A 104 -4.367 5.309 5.549 1.00 0.00 C ATOM 1440 CG LEU A 104 -5.513 5.951 4.765 1.00 0.00 C ATOM 1441 CD1 LEU A 104 -6.479 4.889 4.237 1.00 0.00 C ATOM 1442 CD2 LEU A 104 -6.229 7.010 5.608 1.00 0.00 C ATOM 0 H LEU A 104 -2.896 6.811 4.256 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.004 6.950 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.805 4.667 4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.795 4.665 6.317 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.091 6.461 3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.284 5.372 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.944 4.206 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.898 4.330 5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.039 7.451 5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.637 6.546 6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.521 7.789 5.892 1.00 0.00 H new ATOM 1453 N ILE A 105 -1.207 5.361 6.684 1.00 0.00 N ATOM 1454 CA ILE A 105 -0.178 4.720 7.484 1.00 0.00 C ATOM 1455 C ILE A 105 0.612 5.787 8.243 1.00 0.00 C ATOM 1456 O ILE A 105 0.815 5.673 9.451 1.00 0.00 O ATOM 1457 CB ILE A 105 0.694 3.815 6.611 1.00 0.00 C ATOM 1458 CG1 ILE A 105 -0.084 2.577 6.158 1.00 0.00 C ATOM 1459 CG2 ILE A 105 1.992 3.444 7.330 1.00 0.00 C ATOM 1460 CD1 ILE A 105 0.525 1.982 4.886 1.00 0.00 C ATOM 0 H ILE A 105 -0.920 5.604 5.736 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.629 4.066 8.230 1.00 0.00 H new ATOM 0 HB ILE A 105 0.970 4.369 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.080 1.830 6.952 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.125 2.844 5.977 1.00 0.00 H new ATOM 0 HG21 ILE A 105 2.593 2.801 6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 105 2.552 4.350 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 105 1.758 2.916 8.255 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -0.046 1.104 4.585 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.497 2.724 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.559 1.694 5.078 1.00 0.00 H new ATOM 1471 N GLN A 106 1.036 6.802 7.503 1.00 0.00 N ATOM 1472 CA GLN A 106 1.798 7.889 8.090 1.00 0.00 C ATOM 1473 C GLN A 106 0.976 8.590 9.173 1.00 0.00 C ATOM 1474 O GLN A 106 1.526 9.074 10.162 1.00 0.00 O ATOM 1475 CB GLN A 106 2.254 8.882 7.020 1.00 0.00 C ATOM 1476 CG GLN A 106 3.150 8.199 5.985 1.00 0.00 C ATOM 1477 CD GLN A 106 4.196 9.173 5.438 1.00 0.00 C ATOM 1478 OE1 GLN A 106 4.690 10.047 6.130 1.00 0.00 O ATOM 1479 NE2 GLN A 106 4.505 8.973 4.159 1.00 0.00 N ATOM 0 H GLN A 106 0.865 6.893 6.502 1.00 0.00 H new ATOM 0 HA GLN A 106 2.691 7.470 8.553 1.00 0.00 H new ATOM 0 HB2 GLN A 106 1.384 9.314 6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 106 2.795 9.704 7.489 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.648 7.342 6.439 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.540 7.817 5.166 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.054 8.222 3.637 1.00 0.00 H new ATOM 0 HE22 GLN A 106 5.193 9.570 3.701 1.00 0.00 H new ATOM 1486 N ASN A 107 -0.330 8.624 8.951 1.00 0.00 N ATOM 1487 CA ASN A 107 -1.234 9.257 9.897 1.00 0.00 C ATOM 1488 C ASN A 107 -1.897 8.183 10.761 1.00 0.00 C ATOM 1489 O ASN A 107 -2.904 8.443 11.416 1.00 0.00 O ATOM 1490 CB ASN A 107 -2.338 10.027 9.170 1.00 0.00 C ATOM 1491 CG ASN A 107 -1.971 11.506 9.023 1.00 0.00 C ATOM 1492 OD1 ASN A 107 -1.736 12.213 9.990 1.00 0.00 O ATOM 1493 ND2 ASN A 107 -1.934 11.931 7.763 1.00 0.00 N ATOM 0 H ASN A 107 -0.784 8.224 8.130 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.653 9.948 10.508 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.503 9.590 8.185 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.274 9.934 9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.698 12.902 7.559 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -2.142 11.286 7.001 1.00 0.00 H new ATOM 1499 N SER A 108 -1.304 6.997 10.733 1.00 0.00 N ATOM 1500 CA SER A 108 -1.826 5.883 11.506 1.00 0.00 C ATOM 1501 C SER A 108 -1.739 6.197 13.000 1.00 0.00 C ATOM 1502 O SER A 108 -2.464 5.614 13.804 1.00 0.00 O ATOM 1503 CB SER A 108 -1.068 4.592 11.189 1.00 0.00 C ATOM 1504 OG SER A 108 0.305 4.674 11.562 1.00 0.00 O ATOM 0 H SER A 108 -0.469 6.784 10.188 1.00 0.00 H new ATOM 0 HA SER A 108 -2.871 5.736 11.233 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.537 3.759 11.712 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.142 4.381 10.122 1.00 0.00 H new ATOM 0 HG SER A 108 0.847 4.880 10.772 1.00 0.00 H new ATOM 1509 N ASP A 109 -0.843 7.116 13.329 1.00 0.00 N ATOM 1510 CA ASP A 109 -0.652 7.515 14.713 1.00 0.00 C ATOM 1511 C ASP A 109 0.243 6.491 15.415 1.00 0.00 C ATOM 1512 O ASP A 109 1.038 5.810 14.769 1.00 0.00 O ATOM 1513 CB ASP A 109 -1.985 7.568 15.461 1.00 0.00 C ATOM 1514 CG ASP A 109 -2.069 8.629 16.560 1.00 0.00 C ATOM 1515 OD1 ASP A 109 -1.631 9.767 16.284 1.00 0.00 O ATOM 1516 OD2 ASP A 109 -2.568 8.278 17.651 1.00 0.00 O ATOM 0 H ASP A 109 -0.241 7.596 12.660 1.00 0.00 H new ATOM 0 HA ASP A 109 -0.196 8.505 14.718 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.782 7.750 14.740 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.174 6.591 15.905 1.00 0.00 H new ATOM 1520 N THR A 110 0.084 6.416 16.728 1.00 0.00 N ATOM 1521 CA THR A 110 0.868 5.486 17.524 1.00 0.00 C ATOM 1522 C THR A 110 0.738 4.066 16.969 1.00 0.00 C ATOM 1523 O THR A 110 1.740 3.399 16.721 1.00 0.00 O ATOM 1524 CB THR A 110 0.416 5.614 18.980 1.00 0.00 C ATOM 1525 OG1 THR A 110 0.673 6.977 19.306 1.00 0.00 O ATOM 1526 CG2 THR A 110 1.308 4.826 19.940 1.00 0.00 C ATOM 0 H THR A 110 -0.575 6.983 17.261 1.00 0.00 H new ATOM 0 HA THR A 110 1.931 5.722 17.476 1.00 0.00 H new ATOM 0 HB THR A 110 -0.613 5.267 19.072 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.407 7.147 20.234 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.944 4.950 20.960 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.286 3.769 19.673 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.331 5.196 19.872 1.00 0.00 H new ATOM 1534 N THR A 111 -0.506 3.648 16.790 1.00 0.00 N ATOM 1535 CA THR A 111 -0.782 2.320 16.269 1.00 0.00 C ATOM 1536 C THR A 111 -1.166 2.396 14.789 1.00 0.00 C ATOM 1537 O THR A 111 -1.569 3.451 14.304 1.00 0.00 O ATOM 1538 CB THR A 111 -1.861 1.682 17.145 1.00 0.00 C ATOM 1539 OG1 THR A 111 -2.480 2.788 17.794 1.00 0.00 O ATOM 1540 CG2 THR A 111 -1.272 0.859 18.294 1.00 0.00 C ATOM 0 H THR A 111 -1.335 4.206 16.997 1.00 0.00 H new ATOM 0 HA THR A 111 0.105 1.688 16.310 1.00 0.00 H new ATOM 0 HB THR A 111 -2.497 1.045 16.530 1.00 0.00 H new ATOM 0 HG1 THR A 111 -3.045 3.269 17.154 1.00 0.00 H new ATOM 0 HG21 THR A 111 -2.080 0.428 18.885 1.00 0.00 H new ATOM 0 HG22 THR A 111 -0.653 0.059 17.888 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.663 1.503 18.928 1.00 0.00 H new ATOM 1548 N LEU A 112 -1.029 1.264 14.117 1.00 0.00 N ATOM 1549 CA LEU A 112 -1.357 1.189 12.703 1.00 0.00 C ATOM 1550 C LEU A 112 -1.965 -0.182 12.396 1.00 0.00 C ATOM 1551 O LEU A 112 -1.274 -1.198 12.456 1.00 0.00 O ATOM 1552 CB LEU A 112 -0.133 1.523 11.850 1.00 0.00 C ATOM 1553 CG LEU A 112 -0.313 1.392 10.335 1.00 0.00 C ATOM 1554 CD1 LEU A 112 0.332 0.105 9.816 1.00 0.00 C ATOM 1555 CD2 LEU A 112 -1.789 1.491 9.949 1.00 0.00 C ATOM 0 H LEU A 112 -0.695 0.391 14.525 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.108 1.936 12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.172 2.546 12.072 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.686 0.873 12.156 1.00 0.00 H new ATOM 0 HG LEU A 112 0.201 2.225 9.855 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.190 0.036 8.737 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.398 0.116 10.042 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.132 -0.755 10.299 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -1.890 1.395 8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.347 0.693 10.438 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.184 2.456 10.266 1.00 0.00 H new ATOM 1566 N GLU A 113 -3.250 -0.166 12.074 1.00 0.00 N ATOM 1567 CA GLU A 113 -3.957 -1.395 11.758 1.00 0.00 C ATOM 1568 C GLU A 113 -3.978 -1.622 10.246 1.00 0.00 C ATOM 1569 O GLU A 113 -3.990 -0.666 9.471 1.00 0.00 O ATOM 1570 CB GLU A 113 -5.376 -1.373 12.329 1.00 0.00 C ATOM 1571 CG GLU A 113 -5.976 -2.780 12.364 1.00 0.00 C ATOM 1572 CD GLU A 113 -7.501 -2.725 12.478 1.00 0.00 C ATOM 1573 OE1 GLU A 113 -8.101 -1.973 11.681 1.00 0.00 O ATOM 1574 OE2 GLU A 113 -8.030 -3.436 13.360 1.00 0.00 O ATOM 0 H GLU A 113 -3.820 0.679 12.025 1.00 0.00 H new ATOM 0 HA GLU A 113 -3.426 -2.226 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.360 -0.956 13.336 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.005 -0.721 11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.695 -3.321 11.461 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -5.565 -3.333 13.208 1.00 0.00 H new ATOM 1579 N LEU A 114 -3.981 -2.893 9.870 1.00 0.00 N ATOM 1580 CA LEU A 114 -4.000 -3.257 8.464 1.00 0.00 C ATOM 1581 C LEU A 114 -4.959 -4.430 8.258 1.00 0.00 C ATOM 1582 O LEU A 114 -5.412 -5.043 9.223 1.00 0.00 O ATOM 1583 CB LEU A 114 -2.580 -3.528 7.961 1.00 0.00 C ATOM 1584 CG LEU A 114 -1.616 -2.340 7.998 1.00 0.00 C ATOM 1585 CD1 LEU A 114 -0.161 -2.813 7.984 1.00 0.00 C ATOM 1586 CD2 LEU A 114 -1.911 -1.359 6.863 1.00 0.00 C ATOM 0 H LEU A 114 -3.971 -3.683 10.515 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.374 -2.429 7.862 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.153 -4.335 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.642 -3.888 6.934 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.771 -1.804 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.503 -1.949 8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.026 -3.441 8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.026 -3.386 7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -1.212 -0.524 6.913 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.802 -1.867 5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.930 -0.985 6.961 1.00 0.00 H new ATOM 1597 N SER A 115 -5.242 -4.708 6.993 1.00 0.00 N ATOM 1598 CA SER A 115 -6.139 -5.796 6.649 1.00 0.00 C ATOM 1599 C SER A 115 -5.715 -6.424 5.319 1.00 0.00 C ATOM 1600 O SER A 115 -5.499 -5.717 4.336 1.00 0.00 O ATOM 1601 CB SER A 115 -7.588 -5.312 6.568 1.00 0.00 C ATOM 1602 OG SER A 115 -8.516 -6.360 6.834 1.00 0.00 O ATOM 0 H SER A 115 -4.865 -4.197 6.194 1.00 0.00 H new ATOM 0 HA SER A 115 -6.079 -6.549 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.740 -4.503 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 115 -7.778 -4.902 5.576 1.00 0.00 H new ATOM 0 HG SER A 115 -8.163 -6.938 7.543 1.00 0.00 H new ATOM 1607 N VAL A 116 -5.607 -7.745 5.332 1.00 0.00 N ATOM 1608 CA VAL A 116 -5.212 -8.474 4.139 1.00 0.00 C ATOM 1609 C VAL A 116 -6.240 -9.572 3.855 1.00 0.00 C ATOM 1610 O VAL A 116 -7.230 -9.702 4.574 1.00 0.00 O ATOM 1611 CB VAL A 116 -3.791 -9.016 4.304 1.00 0.00 C ATOM 1612 CG1 VAL A 116 -2.820 -7.898 4.690 1.00 0.00 C ATOM 1613 CG2 VAL A 116 -3.752 -10.154 5.326 1.00 0.00 C ATOM 0 H VAL A 116 -5.786 -8.329 6.149 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.195 -7.811 3.274 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.473 -9.420 3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.817 -8.310 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.815 -7.135 3.911 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.136 -7.452 5.633 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.730 -10.521 5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.100 -9.788 6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.398 -10.966 4.992 1.00 0.00 H new ATOM 1623 N MET A 117 -5.971 -10.332 2.804 1.00 0.00 N ATOM 1624 CA MET A 117 -6.861 -11.413 2.414 1.00 0.00 C ATOM 1625 C MET A 117 -6.088 -12.723 2.239 1.00 0.00 C ATOM 1626 O MET A 117 -5.413 -12.918 1.229 1.00 0.00 O ATOM 1627 CB MET A 117 -7.561 -11.053 1.104 1.00 0.00 C ATOM 1628 CG MET A 117 -8.514 -9.872 1.298 1.00 0.00 C ATOM 1629 SD MET A 117 -9.794 -10.307 2.463 1.00 0.00 S ATOM 1630 CE MET A 117 -10.217 -11.936 1.866 1.00 0.00 C ATOM 0 H MET A 117 -5.149 -10.221 2.210 1.00 0.00 H new ATOM 0 HA MET A 117 -7.600 -11.552 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 117 -6.818 -10.804 0.347 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.116 -11.916 0.735 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.962 -9.004 1.659 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.959 -9.593 0.343 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.208 -12.210 2.228 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.217 -11.935 0.776 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.485 -12.658 2.229 1.00 0.00 H new ATOM 1638 N PRO A 118 -6.216 -13.609 3.263 1.00 0.00 N ATOM 1639 CA PRO A 118 -5.538 -14.893 3.229 1.00 0.00 C ATOM 1640 C PRO A 118 -6.234 -15.856 2.265 1.00 0.00 C ATOM 1641 O PRO A 118 -7.410 -15.684 1.952 1.00 0.00 O ATOM 1642 CB PRO A 118 -5.552 -15.382 4.669 1.00 0.00 C ATOM 1643 CG PRO A 118 -6.638 -14.582 5.371 1.00 0.00 C ATOM 1644 CD PRO A 118 -7.006 -13.411 4.474 1.00 0.00 C ATOM 0 HA PRO A 118 -4.517 -14.820 2.856 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -5.762 -16.451 4.716 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -4.583 -15.226 5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -7.511 -15.207 5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -6.285 -14.226 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -8.073 -13.401 4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -6.770 -12.459 4.949 1.00 0.00 H new ATOM 1649 N LYS A 119 -5.475 -16.846 1.821 1.00 0.00 N ATOM 1650 CA LYS A 119 -6.003 -17.837 0.898 1.00 0.00 C ATOM 1651 C LYS A 119 -5.393 -19.203 1.218 1.00 0.00 C ATOM 1652 O LYS A 119 -4.514 -19.310 2.073 1.00 0.00 O ATOM 1653 CB LYS A 119 -5.787 -17.392 -0.550 1.00 0.00 C ATOM 1654 CG LYS A 119 -7.106 -16.953 -1.191 1.00 0.00 C ATOM 1655 CD LYS A 119 -7.725 -18.092 -2.002 1.00 0.00 C ATOM 1656 CE LYS A 119 -9.154 -18.381 -1.539 1.00 0.00 C ATOM 1657 NZ LYS A 119 -10.108 -18.204 -2.658 1.00 0.00 N ATOM 0 H LYS A 119 -4.499 -16.984 2.083 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.082 -17.932 1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -5.073 -16.569 -0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.354 -18.210 -1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.803 -16.633 -0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.932 -16.093 -1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.728 -17.830 -3.060 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.116 -18.990 -1.897 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.219 -19.399 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.419 -17.714 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.073 -18.404 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.057 -17.225 -3.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.864 -18.858 -3.429 1.00 0.00 H new