USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 973 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 5 GLN : amide:sc= 0 X(o=-2.6,f=-2.6) USER MOD Set 1.2: A 81 THR OG1 : rot -75:sc= -2.57 USER MOD Single : A 2 LYS NZ :NH3+ 156:sc= -0.0658 (180deg=-0.404) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN :FLIP amide:sc= -5.84! C(o=-7.9!,f=-5.8!) USER MOD Single : A 15 ASN : amide:sc= -0.405 K(o=-0.41,f=-1.4) USER MOD Single : A 16 ASN : amide:sc= -1.12! C(o=-1.1!,f=-1.3!) USER MOD Single : A 21 THR OG1 : rot 104:sc= -1.55 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.73! F(o=-2.4,f=-1.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= -0.549 (180deg=-1.6!) USER MOD Single : A 42 MET CE :methyl -161:sc= 0 (180deg=-0.02) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 48 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.66) USER MOD Single : A 55 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.86) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 63 GLN : amide:sc= -0.0922 X(o=-0.092,f=-0.47) USER MOD Single : A 64 HIS : no HE2:sc= -17.8! C(o=-18!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 15:sc= -3.66! USER MOD Single : A 79 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.7!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.283 X(o=0.28,f=0) USER MOD Single : A 105 MET CE :methyl 155:sc= -0.315 (180deg=-1.2) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -5.32! C(o=-5.3!,f=-12!) USER MOD Single : A 125 LYS NZ :NH3+ -127:sc= -0.0111 (180deg=-2.54) USER MOD Single : A 127 LYS NZ :NH3+ -172:sc= -1.78 (180deg=-1.9) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -22.003 -5.555 -4.530 1.00 0.00 N ATOM 21 CA LYS A 2 -20.883 -4.656 -4.779 1.00 0.00 C ATOM 22 C LYS A 2 -19.577 -5.262 -4.279 1.00 0.00 C ATOM 23 O LYS A 2 -19.506 -5.777 -3.163 1.00 0.00 O ATOM 24 CB LYS A 2 -21.125 -3.306 -4.099 1.00 0.00 C ATOM 25 CG LYS A 2 -20.398 -2.150 -4.768 1.00 0.00 C ATOM 26 CD LYS A 2 -21.318 -0.958 -4.982 1.00 0.00 C ATOM 27 CE LYS A 2 -20.942 -0.182 -6.234 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.204 -0.965 -7.473 1.00 0.00 N ATOM 0 HA LYS A 2 -20.804 -4.505 -5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.195 -3.098 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.808 -3.371 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.549 -1.849 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -19.997 -2.478 -5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.349 -1.303 -5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.269 -0.299 -4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.507 0.749 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.887 0.087 -6.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.332 -0.314 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -20.398 -1.594 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.066 -1.534 -7.348 1.00 0.00 H new ATOM 42 N LYS A 3 -18.545 -5.200 -5.114 1.00 0.00 N ATOM 43 CA LYS A 3 -17.239 -5.743 -4.758 1.00 0.00 C ATOM 44 C LYS A 3 -16.119 -4.826 -5.240 1.00 0.00 C ATOM 45 O LYS A 3 -16.110 -4.390 -6.391 1.00 0.00 O ATOM 46 CB LYS A 3 -17.065 -7.142 -5.351 1.00 0.00 C ATOM 47 CG LYS A 3 -16.995 -7.158 -6.870 1.00 0.00 C ATOM 48 CD LYS A 3 -16.695 -8.552 -7.398 1.00 0.00 C ATOM 49 CE LYS A 3 -15.214 -8.729 -7.694 1.00 0.00 C ATOM 50 NZ LYS A 3 -14.915 -8.581 -9.145 1.00 0.00 N ATOM 0 H LYS A 3 -18.588 -4.779 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.184 -5.810 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.154 -7.586 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.895 -7.770 -5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.941 -6.807 -7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.223 -6.466 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -17.012 -9.295 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.272 -8.731 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.641 -7.994 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.892 -9.714 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.895 -8.709 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.442 -9.298 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.199 -7.632 -9.463 1.00 0.00 H new ATOM 64 N LEU A 4 -15.177 -4.536 -4.349 1.00 0.00 N ATOM 65 CA LEU A 4 -14.052 -3.668 -4.676 1.00 0.00 C ATOM 66 C LEU A 4 -12.796 -4.114 -3.933 1.00 0.00 C ATOM 67 O LEU A 4 -12.771 -4.139 -2.708 1.00 0.00 O ATOM 68 CB LEU A 4 -14.395 -2.219 -4.327 1.00 0.00 C ATOM 69 CG LEU A 4 -14.397 -1.889 -2.833 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.019 -1.427 -2.383 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.445 -0.829 -2.526 1.00 0.00 C ATOM 0 H LEU A 4 -15.171 -4.890 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.855 -3.736 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.681 -1.564 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.379 -1.988 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.649 -2.794 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.042 -1.197 -1.318 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.292 -2.218 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.734 -0.535 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.434 -0.605 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.222 0.077 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.430 -1.199 -2.809 1.00 0.00 H new ATOM 83 N GLN A 5 -11.760 -4.481 -4.679 1.00 0.00 N ATOM 84 CA GLN A 5 -10.513 -4.949 -4.079 1.00 0.00 C ATOM 85 C GLN A 5 -9.433 -3.876 -4.085 1.00 0.00 C ATOM 86 O GLN A 5 -9.460 -2.948 -4.891 1.00 0.00 O ATOM 87 CB GLN A 5 -9.999 -6.178 -4.828 1.00 0.00 C ATOM 88 CG GLN A 5 -11.085 -7.193 -5.134 1.00 0.00 C ATOM 89 CD GLN A 5 -10.538 -8.469 -5.743 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.247 -9.434 -5.036 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.394 -8.481 -7.064 1.00 0.00 N ATOM 0 H GLN A 5 -11.757 -4.464 -5.699 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.733 -5.202 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.537 -5.858 -5.762 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.220 -6.657 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.621 -7.434 -4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.809 -6.750 -5.818 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.648 -7.659 -7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.030 -9.312 -7.530 1.00 0.00 H new ATOM 100 N ILE A 6 -8.479 -4.022 -3.173 1.00 0.00 N ATOM 101 CA ILE A 6 -7.378 -3.090 -3.048 1.00 0.00 C ATOM 102 C ILE A 6 -6.109 -3.815 -2.616 1.00 0.00 C ATOM 103 O ILE A 6 -6.122 -4.582 -1.653 1.00 0.00 O ATOM 104 CB ILE A 6 -7.697 -1.989 -2.025 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.138 -1.509 -2.185 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.728 -0.838 -2.187 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.154 -2.417 -1.527 1.00 0.00 C ATOM 0 H ILE A 6 -8.452 -4.790 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.225 -2.634 -4.026 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.588 -2.399 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.228 -0.509 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.369 -1.427 -3.247 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.960 -0.061 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.710 -1.194 -2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.814 -0.429 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.155 -2.014 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.091 -3.412 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.948 -2.479 -0.458 1.00 0.00 H new ATOM 119 N ALA A 7 -5.013 -3.564 -3.321 1.00 0.00 N ATOM 120 CA ALA A 7 -3.739 -4.191 -2.992 1.00 0.00 C ATOM 121 C ALA A 7 -2.681 -3.127 -2.771 1.00 0.00 C ATOM 122 O ALA A 7 -2.448 -2.301 -3.641 1.00 0.00 O ATOM 123 CB ALA A 7 -3.315 -5.133 -4.109 1.00 0.00 C ATOM 0 H ALA A 7 -4.980 -2.933 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.854 -4.768 -2.075 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.362 -5.596 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.071 -5.907 -4.239 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.208 -4.572 -5.037 1.00 0.00 H new ATOM 129 N VAL A 8 -2.038 -3.148 -1.613 1.00 0.00 N ATOM 130 CA VAL A 8 -1.015 -2.156 -1.305 1.00 0.00 C ATOM 131 C VAL A 8 0.286 -2.809 -0.852 1.00 0.00 C ATOM 132 O VAL A 8 0.294 -3.949 -0.394 1.00 0.00 O ATOM 133 CB VAL A 8 -1.506 -1.149 -0.226 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.918 -1.481 0.235 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.560 -1.097 0.970 1.00 0.00 C ATOM 0 H VAL A 8 -2.203 -3.834 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.821 -1.610 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.515 -0.164 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.234 -0.760 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.598 -1.438 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.935 -2.484 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.937 -0.382 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.496 -2.085 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.430 -0.787 0.637 1.00 0.00 H new ATOM 145 N GLY A 9 1.377 -2.063 -0.979 1.00 0.00 N ATOM 146 CA GLY A 9 2.676 -2.559 -0.575 1.00 0.00 C ATOM 147 C GLY A 9 3.601 -1.439 -0.142 1.00 0.00 C ATOM 148 O GLY A 9 3.657 -0.392 -0.787 1.00 0.00 O ATOM 0 H GLY A 9 1.383 -1.116 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.555 -3.267 0.245 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.129 -3.104 -1.403 1.00 0.00 H new ATOM 152 N ILE A 10 4.333 -1.656 0.944 1.00 0.00 N ATOM 153 CA ILE A 10 5.263 -0.645 1.445 1.00 0.00 C ATOM 154 C ILE A 10 6.610 -0.777 0.745 1.00 0.00 C ATOM 155 O ILE A 10 7.320 -1.762 0.934 1.00 0.00 O ATOM 156 CB ILE A 10 5.475 -0.728 2.981 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.693 -1.894 3.595 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.071 0.584 3.640 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.826 -1.990 5.101 1.00 0.00 C ATOM 0 H ILE A 10 4.303 -2.515 1.493 1.00 0.00 H new ATOM 0 HA ILE A 10 4.815 0.324 1.227 1.00 0.00 H new ATOM 0 HB ILE A 10 6.535 -0.907 3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.639 -1.788 3.338 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.038 -2.827 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.224 0.513 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.680 1.395 3.240 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.019 0.785 3.436 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.246 -2.838 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.874 -2.128 5.366 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.454 -1.073 5.558 1.00 0.00 H new ATOM 171 N ILE A 11 6.948 0.216 -0.072 1.00 0.00 N ATOM 172 CA ILE A 11 8.206 0.200 -0.814 1.00 0.00 C ATOM 173 C ILE A 11 9.400 0.432 0.104 1.00 0.00 C ATOM 174 O ILE A 11 9.467 1.435 0.812 1.00 0.00 O ATOM 175 CB ILE A 11 8.229 1.259 -1.933 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.843 1.411 -2.567 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.261 0.877 -2.984 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.862 2.127 -3.900 1.00 0.00 C ATOM 0 H ILE A 11 6.371 1.040 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 11 8.279 -0.791 -1.262 1.00 0.00 H new ATOM 0 HB ILE A 11 8.506 2.220 -1.500 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.404 0.423 -2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.196 1.957 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.273 1.629 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.247 0.820 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.004 -0.092 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.846 2.198 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.271 3.129 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.482 1.571 -4.603 1.00 0.00 H new ATOM 190 N ARG A 12 10.339 -0.507 0.082 1.00 0.00 N ATOM 191 CA ARG A 12 11.536 -0.418 0.911 1.00 0.00 C ATOM 192 C ARG A 12 12.613 0.427 0.246 1.00 0.00 C ATOM 193 O ARG A 12 13.048 0.139 -0.872 1.00 0.00 O ATOM 194 CB ARG A 12 12.086 -1.810 1.211 1.00 0.00 C ATOM 195 CG ARG A 12 11.845 -2.253 2.644 1.00 0.00 C ATOM 196 CD ARG A 12 13.144 -2.371 3.428 1.00 0.00 C ATOM 197 NE ARG A 12 13.410 -3.746 3.845 1.00 0.00 N ATOM 198 CZ ARG A 12 14.037 -4.645 3.089 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.460 -4.324 1.872 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.241 -5.871 3.550 1.00 0.00 N ATOM 0 H ARG A 12 10.294 -1.341 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 12 11.250 0.065 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.626 -2.529 0.533 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.157 -1.822 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.186 -1.539 3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.332 -3.215 2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.971 -2.012 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.096 -1.729 4.307 1.00 0.00 H new ATOM 0 HE ARG A 12 13.096 -4.035 4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.305 -3.383 1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.940 -5.018 1.299 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.918 -6.125 4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.721 -6.560 2.971 1.00 0.00 H new ATOM 214 N ASN A 13 13.033 1.468 0.958 1.00 0.00 N ATOM 215 CA ASN A 13 14.061 2.385 0.476 1.00 0.00 C ATOM 216 C ASN A 13 15.458 1.814 0.656 1.00 0.00 C ATOM 217 O ASN A 13 15.640 0.654 1.024 1.00 0.00 O ATOM 218 CB ASN A 13 13.971 3.725 1.194 1.00 0.00 C ATOM 219 CG ASN A 13 14.601 4.877 0.427 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.499 4.850 -0.898 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 15.176 5.787 1.025 1.00 0.00 N flip ATOM 0 H ASN A 13 12.672 1.700 1.883 1.00 0.00 H new ATOM 0 HA ASN A 13 13.881 2.529 -0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 13 12.922 3.956 1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.457 3.639 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.233 5.772 2.043 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.595 6.556 0.502 1.00 0.00 H new ATOM 228 N GLU A 14 16.433 2.661 0.378 1.00 0.00 N ATOM 229 CA GLU A 14 17.842 2.303 0.479 1.00 0.00 C ATOM 230 C GLU A 14 18.362 2.424 1.916 1.00 0.00 C ATOM 231 O GLU A 14 19.540 2.176 2.175 1.00 0.00 O ATOM 232 CB GLU A 14 18.656 3.208 -0.448 1.00 0.00 C ATOM 233 CG GLU A 14 20.162 3.031 -0.324 1.00 0.00 C ATOM 234 CD GLU A 14 20.798 4.067 0.581 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.085 4.618 1.446 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.010 4.327 0.426 1.00 0.00 O ATOM 0 H GLU A 14 16.272 3.621 0.074 1.00 0.00 H new ATOM 0 HA GLU A 14 17.951 1.260 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.362 3.013 -1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.404 4.247 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.376 2.035 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.614 3.092 -1.314 1.00 0.00 H new ATOM 243 N ASN A 15 17.493 2.811 2.846 1.00 0.00 N ATOM 244 CA ASN A 15 17.896 2.962 4.241 1.00 0.00 C ATOM 245 C ASN A 15 16.848 2.381 5.185 1.00 0.00 C ATOM 246 O ASN A 15 16.417 3.038 6.133 1.00 0.00 O ATOM 247 CB ASN A 15 18.131 4.439 4.566 1.00 0.00 C ATOM 248 CG ASN A 15 18.675 4.644 5.966 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.229 3.725 6.570 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.518 5.854 6.490 1.00 0.00 N ATOM 0 H ASN A 15 16.513 3.024 2.661 1.00 0.00 H new ATOM 0 HA ASN A 15 18.825 2.410 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.829 4.861 3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.194 4.985 4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.863 6.052 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.053 6.586 5.953 1.00 0.00 H new ATOM 257 N ASN A 16 16.441 1.141 4.919 1.00 0.00 N ATOM 258 CA ASN A 16 15.439 0.461 5.744 1.00 0.00 C ATOM 259 C ASN A 16 14.245 1.371 6.028 1.00 0.00 C ATOM 260 O ASN A 16 13.548 1.206 7.029 1.00 0.00 O ATOM 261 CB ASN A 16 16.046 -0.034 7.066 1.00 0.00 C ATOM 262 CG ASN A 16 17.476 0.428 7.283 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.727 1.395 8.002 1.00 0.00 O ATOM 264 ND2 ASN A 16 18.423 -0.264 6.658 1.00 0.00 N ATOM 0 H ASN A 16 16.789 0.585 4.138 1.00 0.00 H new ATOM 0 HA ASN A 16 15.091 -0.403 5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.429 0.316 7.894 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.017 -1.123 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.402 0.000 6.765 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.170 -1.059 6.071 1.00 0.00 H new ATOM 271 N GLU A 17 14.007 2.322 5.130 1.00 0.00 N ATOM 272 CA GLU A 17 12.891 3.249 5.268 1.00 0.00 C ATOM 273 C GLU A 17 11.925 3.055 4.109 1.00 0.00 C ATOM 274 O GLU A 17 12.323 2.609 3.040 1.00 0.00 O ATOM 275 CB GLU A 17 13.394 4.694 5.308 1.00 0.00 C ATOM 276 CG GLU A 17 14.307 5.058 4.149 1.00 0.00 C ATOM 277 CD GLU A 17 15.002 6.391 4.351 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.561 7.166 5.226 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.987 6.661 3.632 1.00 0.00 O ATOM 0 H GLU A 17 14.575 2.470 4.296 1.00 0.00 H new ATOM 0 HA GLU A 17 12.373 3.045 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.537 5.367 5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.928 4.857 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.057 4.277 4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.724 5.092 3.229 1.00 0.00 H new ATOM 286 N ILE A 18 10.657 3.373 4.319 1.00 0.00 N ATOM 287 CA ILE A 18 9.658 3.203 3.270 1.00 0.00 C ATOM 288 C ILE A 18 8.819 4.464 3.084 1.00 0.00 C ATOM 289 O ILE A 18 8.479 5.148 4.051 1.00 0.00 O ATOM 290 CB ILE A 18 8.740 2.000 3.580 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.527 0.690 3.482 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.536 1.974 2.647 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.266 -0.263 4.628 1.00 0.00 C ATOM 0 H ILE A 18 10.296 3.747 5.197 1.00 0.00 H new ATOM 0 HA ILE A 18 10.193 3.012 2.340 1.00 0.00 H new ATOM 0 HB ILE A 18 8.370 2.109 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.275 0.194 2.544 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.592 0.918 3.446 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.907 1.117 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.961 2.892 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.877 1.895 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.858 -1.168 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.545 0.213 5.568 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.207 -0.522 4.652 1.00 0.00 H new ATOM 305 N PHE A 19 8.490 4.762 1.831 1.00 0.00 N ATOM 306 CA PHE A 19 7.692 5.935 1.500 1.00 0.00 C ATOM 307 C PHE A 19 6.204 5.587 1.459 1.00 0.00 C ATOM 308 O PHE A 19 5.786 4.701 0.713 1.00 0.00 O ATOM 309 CB PHE A 19 8.154 6.520 0.153 1.00 0.00 C ATOM 310 CG PHE A 19 7.111 6.493 -0.932 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.907 5.350 -1.689 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.336 7.611 -1.193 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.950 5.323 -2.684 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.377 7.591 -2.188 1.00 0.00 C ATOM 315 CZ PHE A 19 5.184 6.445 -2.935 1.00 0.00 C ATOM 0 H PHE A 19 8.766 4.203 1.024 1.00 0.00 H new ATOM 0 HA PHE A 19 7.836 6.686 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.471 7.551 0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.029 5.966 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.504 4.470 -1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.483 8.509 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.800 4.425 -3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.780 8.470 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.436 6.426 -3.714 1.00 0.00 H new ATOM 325 N ILE A 20 5.411 6.290 2.260 1.00 0.00 N ATOM 326 CA ILE A 20 3.978 6.059 2.309 1.00 0.00 C ATOM 327 C ILE A 20 3.222 7.271 1.773 1.00 0.00 C ATOM 328 O ILE A 20 3.410 8.389 2.253 1.00 0.00 O ATOM 329 CB ILE A 20 3.489 5.758 3.745 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.559 6.097 4.789 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.070 4.304 3.872 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.602 7.566 5.146 1.00 0.00 C ATOM 0 H ILE A 20 5.741 7.026 2.885 1.00 0.00 H new ATOM 0 HA ILE A 20 3.777 5.188 1.685 1.00 0.00 H new ATOM 0 HB ILE A 20 2.624 6.393 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.372 5.516 5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.535 5.793 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.729 4.111 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.260 4.096 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.919 3.659 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.381 7.737 5.889 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.818 8.151 4.252 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.638 7.870 5.554 1.00 0.00 H new ATOM 344 N THR A 21 2.370 7.047 0.779 1.00 0.00 N ATOM 345 CA THR A 21 1.593 8.131 0.187 1.00 0.00 C ATOM 346 C THR A 21 0.496 8.591 1.140 1.00 0.00 C ATOM 347 O THR A 21 -0.459 7.861 1.402 1.00 0.00 O ATOM 348 CB THR A 21 0.980 7.685 -1.140 1.00 0.00 C ATOM 349 OG1 THR A 21 0.015 8.620 -1.586 1.00 0.00 O ATOM 350 CG2 THR A 21 0.306 6.332 -1.068 1.00 0.00 C ATOM 0 H THR A 21 2.200 6.129 0.367 1.00 0.00 H new ATOM 0 HA THR A 21 2.265 8.969 0.001 1.00 0.00 H new ATOM 0 HB THR A 21 1.818 7.618 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.391 9.154 -2.317 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.107 6.079 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.036 5.577 -0.776 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.497 6.364 -0.332 1.00 0.00 H new ATOM 358 N ARG A 22 0.634 9.807 1.656 1.00 0.00 N ATOM 359 CA ARG A 22 -0.349 10.355 2.578 1.00 0.00 C ATOM 360 C ARG A 22 -1.361 11.216 1.841 1.00 0.00 C ATOM 361 O ARG A 22 -1.203 11.501 0.654 1.00 0.00 O ATOM 362 CB ARG A 22 0.348 11.180 3.663 1.00 0.00 C ATOM 363 CG ARG A 22 1.230 12.289 3.111 1.00 0.00 C ATOM 364 CD ARG A 22 1.621 13.279 4.196 1.00 0.00 C ATOM 365 NE ARG A 22 2.258 14.473 3.643 1.00 0.00 N ATOM 366 CZ ARG A 22 3.026 15.298 4.349 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.255 15.068 5.637 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.568 16.359 3.766 1.00 0.00 N ATOM 0 H ARG A 22 1.416 10.429 1.451 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.879 9.525 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.407 11.618 4.316 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.955 10.516 4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.128 11.856 2.670 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.703 12.811 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.734 13.569 4.759 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.301 12.797 4.898 1.00 0.00 H new ATOM 0 HE ARG A 22 2.104 14.686 2.657 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.841 14.254 6.091 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.845 15.705 6.172 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.396 16.541 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.157 16.993 4.306 1.00 0.00 H new ATOM 493 N ASN A 31 -5.288 12.621 8.227 1.00 0.00 N ATOM 494 CA ASN A 31 -5.115 11.471 9.107 1.00 0.00 C ATOM 495 C ASN A 31 -5.445 10.163 8.389 1.00 0.00 C ATOM 496 O ASN A 31 -5.770 9.163 9.028 1.00 0.00 O ATOM 497 CB ASN A 31 -6.000 11.618 10.347 1.00 0.00 C ATOM 498 CG ASN A 31 -5.594 10.676 11.462 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.797 11.175 12.399 1.00 0.00 O flip ATOM 500 ND2 ASN A 31 -5.994 9.511 11.482 1.00 0.00 N flip ATOM 0 HA ASN A 31 -4.068 11.438 9.409 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.949 12.646 10.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.038 11.427 10.074 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.606 9.169 10.741 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.714 8.888 12.240 1.00 0.00 H new ATOM 507 N LYS A 32 -5.356 10.170 7.061 1.00 0.00 N ATOM 508 CA LYS A 32 -5.644 8.976 6.273 1.00 0.00 C ATOM 509 C LYS A 32 -4.399 8.465 5.565 1.00 0.00 C ATOM 510 O LYS A 32 -4.487 7.805 4.528 1.00 0.00 O ATOM 511 CB LYS A 32 -6.754 9.243 5.260 1.00 0.00 C ATOM 512 CG LYS A 32 -8.072 8.572 5.615 1.00 0.00 C ATOM 513 CD LYS A 32 -9.166 9.592 5.886 1.00 0.00 C ATOM 514 CE LYS A 32 -10.507 9.131 5.334 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.072 8.000 6.119 1.00 0.00 N ATOM 0 H LYS A 32 -5.088 10.986 6.511 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.983 8.205 6.965 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.912 10.319 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.431 8.896 4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.379 7.917 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.935 7.943 6.494 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.251 9.759 6.960 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.895 10.547 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.209 9.965 5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.386 8.827 4.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.985 7.716 5.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.414 7.195 6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.212 8.298 7.106 1.00 0.00 H new ATOM 529 N LEU A 33 -3.245 8.768 6.137 1.00 0.00 N ATOM 530 CA LEU A 33 -1.964 8.340 5.583 1.00 0.00 C ATOM 531 C LEU A 33 -2.040 6.881 5.129 1.00 0.00 C ATOM 532 O LEU A 33 -2.265 5.987 5.940 1.00 0.00 O ATOM 533 CB LEU A 33 -0.877 8.508 6.648 1.00 0.00 C ATOM 534 CG LEU A 33 0.569 8.607 6.142 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.532 8.083 7.194 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.754 7.849 4.832 1.00 0.00 C ATOM 0 H LEU A 33 -3.166 9.315 6.994 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.722 8.954 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.099 9.407 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.941 7.665 7.336 1.00 0.00 H new ATOM 0 HG LEU A 33 0.786 9.658 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.554 8.159 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.432 8.674 8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.302 7.040 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.789 7.940 4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.512 6.797 4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.093 8.268 4.073 1.00 0.00 H new ATOM 548 N GLU A 34 -1.875 6.644 3.830 1.00 0.00 N ATOM 549 CA GLU A 34 -1.956 5.285 3.301 1.00 0.00 C ATOM 550 C GLU A 34 -0.788 4.960 2.376 1.00 0.00 C ATOM 551 O GLU A 34 0.178 5.716 2.278 1.00 0.00 O ATOM 552 CB GLU A 34 -3.279 5.087 2.560 1.00 0.00 C ATOM 553 CG GLU A 34 -3.922 3.732 2.813 1.00 0.00 C ATOM 554 CD GLU A 34 -4.143 2.941 1.539 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.118 3.239 0.816 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.341 2.024 1.262 1.00 0.00 O ATOM 0 H GLU A 34 -1.687 7.364 3.133 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.905 4.601 4.149 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.974 5.871 2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.108 5.204 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.290 3.155 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.878 3.877 3.316 1.00 0.00 H new ATOM 563 N PHE A 35 -0.887 3.815 1.707 1.00 0.00 N ATOM 564 CA PHE A 35 0.153 3.361 0.788 1.00 0.00 C ATOM 565 C PHE A 35 -0.398 3.200 -0.632 1.00 0.00 C ATOM 566 O PHE A 35 -1.612 3.164 -0.836 1.00 0.00 O ATOM 567 CB PHE A 35 0.747 2.026 1.264 1.00 0.00 C ATOM 568 CG PHE A 35 0.557 1.745 2.732 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.702 1.483 3.250 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.642 1.742 3.593 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.874 1.224 4.596 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.477 1.484 4.940 1.00 0.00 C ATOM 573 CZ PHE A 35 0.217 1.225 5.442 1.00 0.00 C ATOM 0 H PHE A 35 -1.682 3.181 1.785 1.00 0.00 H new ATOM 0 HA PHE A 35 0.936 4.119 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.295 1.217 0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.814 2.017 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.559 1.481 2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.630 1.944 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.860 1.021 4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.332 1.485 5.600 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.085 1.024 6.495 1.00 0.00 H new ATOM 583 N PRO A 36 0.496 3.077 -1.630 1.00 0.00 N ATOM 584 CA PRO A 36 0.109 2.890 -3.035 1.00 0.00 C ATOM 585 C PRO A 36 -0.547 1.531 -3.259 1.00 0.00 C ATOM 586 O PRO A 36 -0.492 0.665 -2.388 1.00 0.00 O ATOM 587 CB PRO A 36 1.435 2.977 -3.793 1.00 0.00 C ATOM 588 CG PRO A 36 2.469 2.592 -2.794 1.00 0.00 C ATOM 589 CD PRO A 36 1.964 3.083 -1.466 1.00 0.00 C ATOM 0 HA PRO A 36 -0.623 3.628 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.445 2.305 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.608 3.984 -4.174 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.616 1.512 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.432 3.042 -3.036 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.279 2.431 -0.651 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.338 4.081 -1.239 1.00 0.00 H new ATOM 597 N GLY A 37 -1.169 1.341 -4.421 1.00 0.00 N ATOM 598 CA GLY A 37 -1.816 0.070 -4.694 1.00 0.00 C ATOM 599 C GLY A 37 -3.323 0.100 -4.531 1.00 0.00 C ATOM 600 O GLY A 37 -3.903 -0.642 -3.740 1.00 0.00 O ATOM 0 H GLY A 37 -1.236 2.033 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.577 -0.237 -5.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.403 -0.687 -4.027 1.00 0.00 H new ATOM 604 N GLY A 38 -3.943 0.963 -5.299 1.00 0.00 N ATOM 605 CA GLY A 38 -5.387 1.100 -5.275 1.00 0.00 C ATOM 606 C GLY A 38 -6.002 0.892 -6.649 1.00 0.00 C ATOM 607 O GLY A 38 -5.587 1.539 -7.612 1.00 0.00 O ATOM 0 H GLY A 38 -3.471 1.586 -5.954 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.808 0.377 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.651 2.091 -4.906 1.00 0.00 H new ATOM 611 N LYS A 39 -6.994 -0.010 -6.735 1.00 0.00 N ATOM 612 CA LYS A 39 -7.693 -0.318 -7.990 1.00 0.00 C ATOM 613 C LYS A 39 -7.183 -1.606 -8.634 1.00 0.00 C ATOM 614 O LYS A 39 -7.593 -1.949 -9.743 1.00 0.00 O ATOM 615 CB LYS A 39 -7.595 0.830 -8.997 1.00 0.00 C ATOM 616 CG LYS A 39 -8.445 0.610 -10.235 1.00 0.00 C ATOM 617 CD LYS A 39 -9.374 1.787 -10.505 1.00 0.00 C ATOM 618 CE LYS A 39 -8.629 3.114 -10.481 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.904 3.882 -9.233 1.00 0.00 N ATOM 0 H LYS A 39 -7.333 -0.545 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.740 -0.458 -7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.902 1.757 -8.513 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.554 0.956 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.797 0.455 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.036 -0.298 -10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.853 1.657 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.167 1.802 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.558 2.931 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.920 3.710 -11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.511 4.697 -9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.386 3.267 -8.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.007 4.218 -8.827 1.00 0.00 H new ATOM 633 N ILE A 40 -6.308 -2.335 -7.941 1.00 0.00 N ATOM 634 CA ILE A 40 -5.786 -3.595 -8.479 1.00 0.00 C ATOM 635 C ILE A 40 -6.930 -4.476 -8.949 1.00 0.00 C ATOM 636 O ILE A 40 -6.791 -5.282 -9.869 1.00 0.00 O ATOM 637 CB ILE A 40 -4.929 -4.368 -7.453 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.803 -5.197 -6.493 1.00 0.00 C ATOM 639 CG2 ILE A 40 -4.047 -3.398 -6.688 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.203 -6.537 -6.125 1.00 0.00 C ATOM 0 H ILE A 40 -5.949 -2.082 -7.020 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.141 -3.337 -9.319 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.296 -5.071 -7.994 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.972 -4.622 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.778 -5.360 -6.953 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.444 -3.947 -5.965 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.392 -2.875 -7.385 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.671 -2.674 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.875 -7.063 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.060 -7.132 -7.027 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.241 -6.383 -5.636 1.00 0.00 H new ATOM 652 N GLU A 41 -8.062 -4.301 -8.284 1.00 0.00 N ATOM 653 CA GLU A 41 -9.272 -5.051 -8.575 1.00 0.00 C ATOM 654 C GLU A 41 -9.513 -5.148 -10.076 1.00 0.00 C ATOM 655 O GLU A 41 -9.180 -6.158 -10.694 1.00 0.00 O ATOM 656 CB GLU A 41 -10.470 -4.399 -7.875 1.00 0.00 C ATOM 657 CG GLU A 41 -10.412 -2.873 -7.824 1.00 0.00 C ATOM 658 CD GLU A 41 -11.626 -2.218 -8.456 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.676 -2.142 -7.783 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.526 -1.781 -9.621 1.00 0.00 O ATOM 0 H GLU A 41 -8.166 -3.630 -7.523 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.148 -6.065 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.384 -4.700 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.535 -4.783 -6.857 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.330 -2.551 -6.786 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.512 -2.531 -8.335 1.00 0.00 H new ATOM 667 N MET A 42 -10.084 -4.093 -10.654 1.00 0.00 N ATOM 668 CA MET A 42 -10.370 -4.046 -12.090 1.00 0.00 C ATOM 669 C MET A 42 -10.891 -5.391 -12.604 1.00 0.00 C ATOM 670 O MET A 42 -12.101 -5.611 -12.674 1.00 0.00 O ATOM 671 CB MET A 42 -9.117 -3.633 -12.866 1.00 0.00 C ATOM 672 CG MET A 42 -8.742 -2.172 -12.683 1.00 0.00 C ATOM 673 SD MET A 42 -9.829 -1.056 -13.591 1.00 0.00 S ATOM 674 CE MET A 42 -8.649 0.145 -14.202 1.00 0.00 C ATOM 0 H MET A 42 -10.360 -3.252 -10.147 1.00 0.00 H new ATOM 0 HA MET A 42 -11.151 -3.303 -12.250 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.281 -4.256 -12.548 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.276 -3.829 -13.926 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.776 -1.923 -11.622 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.714 -2.021 -13.014 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.172 1.059 -14.484 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.921 0.369 -13.422 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.134 -0.261 -15.073 1.00 0.00 H new ATOM 684 N GLY A 43 -9.972 -6.286 -12.957 1.00 0.00 N ATOM 685 CA GLY A 43 -10.359 -7.591 -13.453 1.00 0.00 C ATOM 686 C GLY A 43 -9.189 -8.540 -13.570 1.00 0.00 C ATOM 687 O GLY A 43 -9.178 -9.425 -14.425 1.00 0.00 O ATOM 0 H GLY A 43 -8.965 -6.128 -12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.106 -8.022 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.830 -7.479 -14.430 1.00 0.00 H new ATOM 691 N GLU A 44 -8.201 -8.352 -12.712 1.00 0.00 N ATOM 692 CA GLU A 44 -7.011 -9.196 -12.722 1.00 0.00 C ATOM 693 C GLU A 44 -7.138 -10.337 -11.718 1.00 0.00 C ATOM 694 O GLU A 44 -8.194 -10.530 -11.115 1.00 0.00 O ATOM 695 CB GLU A 44 -5.768 -8.358 -12.418 1.00 0.00 C ATOM 696 CG GLU A 44 -5.047 -7.866 -13.662 1.00 0.00 C ATOM 697 CD GLU A 44 -5.725 -6.665 -14.291 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.950 -6.731 -14.528 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.032 -5.658 -14.547 1.00 0.00 O ATOM 0 H GLU A 44 -8.196 -7.623 -11.998 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.912 -9.631 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.058 -7.499 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.077 -8.952 -11.819 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.021 -7.605 -13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.997 -8.674 -14.392 1.00 0.00 H new ATOM 706 N THR A 45 -6.057 -11.092 -11.540 1.00 0.00 N ATOM 707 CA THR A 45 -6.052 -12.212 -10.608 1.00 0.00 C ATOM 708 C THR A 45 -5.452 -11.788 -9.272 1.00 0.00 C ATOM 709 O THR A 45 -4.701 -10.819 -9.204 1.00 0.00 O ATOM 710 CB THR A 45 -5.256 -13.384 -11.194 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.807 -13.085 -12.504 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.048 -14.671 -11.265 1.00 0.00 C ATOM 0 H THR A 45 -5.174 -10.947 -12.030 1.00 0.00 H new ATOM 0 HA THR A 45 -7.081 -12.532 -10.443 1.00 0.00 H new ATOM 0 HB THR A 45 -4.417 -13.528 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.300 -13.846 -12.858 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.425 -15.459 -11.689 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.365 -14.959 -10.263 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.926 -14.524 -11.895 1.00 0.00 H new ATOM 720 N PRO A 46 -5.766 -12.512 -8.186 1.00 0.00 N ATOM 721 CA PRO A 46 -5.243 -12.206 -6.855 1.00 0.00 C ATOM 722 C PRO A 46 -3.738 -11.948 -6.867 1.00 0.00 C ATOM 723 O PRO A 46 -3.208 -11.266 -5.990 1.00 0.00 O ATOM 724 CB PRO A 46 -5.571 -13.467 -6.034 1.00 0.00 C ATOM 725 CG PRO A 46 -6.070 -14.475 -7.017 1.00 0.00 C ATOM 726 CD PRO A 46 -6.641 -13.687 -8.155 1.00 0.00 C ATOM 0 HA PRO A 46 -5.683 -11.296 -6.447 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.687 -13.834 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.324 -13.255 -5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.262 -15.123 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.827 -15.118 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.610 -14.243 -9.092 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.682 -13.415 -7.980 1.00 0.00 H new ATOM 734 N GLU A 47 -3.052 -12.504 -7.864 1.00 0.00 N ATOM 735 CA GLU A 47 -1.608 -12.339 -7.981 1.00 0.00 C ATOM 736 C GLU A 47 -1.237 -11.291 -9.032 1.00 0.00 C ATOM 737 O GLU A 47 -0.360 -10.461 -8.802 1.00 0.00 O ATOM 738 CB GLU A 47 -0.952 -13.676 -8.332 1.00 0.00 C ATOM 739 CG GLU A 47 -0.530 -14.485 -7.116 1.00 0.00 C ATOM 740 CD GLU A 47 0.966 -14.433 -6.872 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.695 -15.242 -7.483 1.00 0.00 O ATOM 742 OE2 GLU A 47 1.409 -13.583 -6.071 1.00 0.00 O ATOM 0 H GLU A 47 -3.473 -13.071 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.240 -11.991 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.648 -14.267 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.077 -13.489 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.051 -14.109 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.837 -15.522 -7.250 1.00 0.00 H new ATOM 749 N GLN A 48 -1.898 -11.339 -10.188 1.00 0.00 N ATOM 750 CA GLN A 48 -1.611 -10.393 -11.265 1.00 0.00 C ATOM 751 C GLN A 48 -2.292 -9.047 -11.031 1.00 0.00 C ATOM 752 O GLN A 48 -1.983 -8.065 -11.702 1.00 0.00 O ATOM 753 CB GLN A 48 -2.056 -10.972 -12.609 1.00 0.00 C ATOM 754 CG GLN A 48 -1.318 -12.242 -13.000 1.00 0.00 C ATOM 755 CD GLN A 48 0.186 -12.051 -13.043 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.688 -11.137 -13.697 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.913 -12.917 -12.346 1.00 0.00 N ATOM 0 H GLN A 48 -2.630 -12.017 -10.402 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.534 -10.227 -11.278 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.125 -11.181 -12.569 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.907 -10.222 -13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.560 -13.032 -12.290 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.667 -12.574 -13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.454 -13.659 -11.818 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.930 -12.840 -12.339 1.00 0.00 H new ATOM 766 N ALA A 49 -3.217 -9.005 -10.080 1.00 0.00 N ATOM 767 CA ALA A 49 -3.931 -7.776 -9.770 1.00 0.00 C ATOM 768 C ALA A 49 -2.969 -6.688 -9.319 1.00 0.00 C ATOM 769 O ALA A 49 -2.956 -5.588 -9.870 1.00 0.00 O ATOM 770 CB ALA A 49 -4.987 -8.031 -8.706 1.00 0.00 C ATOM 0 H ALA A 49 -3.489 -9.807 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.428 -7.432 -10.677 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.513 -7.102 -8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.698 -8.773 -9.070 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.508 -8.401 -7.800 1.00 0.00 H new ATOM 776 N VAL A 50 -2.164 -7.002 -8.312 1.00 0.00 N ATOM 777 CA VAL A 50 -1.197 -6.044 -7.793 1.00 0.00 C ATOM 778 C VAL A 50 0.031 -5.945 -8.690 1.00 0.00 C ATOM 779 O VAL A 50 0.515 -4.851 -8.962 1.00 0.00 O ATOM 780 CB VAL A 50 -0.738 -6.387 -6.358 1.00 0.00 C ATOM 781 CG1 VAL A 50 -0.548 -7.886 -6.179 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.543 -5.635 -6.022 1.00 0.00 C ATOM 0 H VAL A 50 -2.161 -7.907 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.714 -5.085 -7.774 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.520 -6.072 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.225 -8.093 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.491 -8.398 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.208 -8.243 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.856 -5.885 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.327 -5.919 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.364 -4.562 -6.092 1.00 0.00 H new ATOM 792 N VAL A 51 0.545 -7.087 -9.135 1.00 0.00 N ATOM 793 CA VAL A 51 1.729 -7.099 -9.985 1.00 0.00 C ATOM 794 C VAL A 51 1.564 -6.142 -11.154 1.00 0.00 C ATOM 795 O VAL A 51 2.511 -5.467 -11.556 1.00 0.00 O ATOM 796 CB VAL A 51 2.033 -8.515 -10.516 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.309 -8.518 -11.348 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.139 -9.507 -9.367 1.00 0.00 C ATOM 0 H VAL A 51 0.164 -8.009 -8.923 1.00 0.00 H new ATOM 0 HA VAL A 51 2.568 -6.774 -9.370 1.00 0.00 H new ATOM 0 HB VAL A 51 1.208 -8.822 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.504 -9.527 -11.712 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.192 -7.843 -12.196 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.145 -8.187 -10.733 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.354 -10.500 -9.762 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.942 -9.202 -8.696 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.197 -9.531 -8.819 1.00 0.00 H new ATOM 808 N ARG A 52 0.353 -6.077 -11.690 1.00 0.00 N ATOM 809 CA ARG A 52 0.073 -5.186 -12.802 1.00 0.00 C ATOM 810 C ARG A 52 -0.107 -3.753 -12.315 1.00 0.00 C ATOM 811 O ARG A 52 0.497 -2.823 -12.850 1.00 0.00 O ATOM 812 CB ARG A 52 -1.168 -5.647 -13.568 1.00 0.00 C ATOM 813 CG ARG A 52 -0.850 -6.526 -14.767 1.00 0.00 C ATOM 814 CD ARG A 52 -1.862 -7.649 -14.920 1.00 0.00 C ATOM 815 NE ARG A 52 -1.312 -8.785 -15.658 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.045 -8.763 -16.961 1.00 0.00 C ATOM 817 NH1 ARG A 52 -1.277 -7.669 -17.676 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.545 -9.839 -17.553 1.00 0.00 N ATOM 0 H ARG A 52 -0.445 -6.628 -11.374 1.00 0.00 H new ATOM 0 HA ARG A 52 0.927 -5.215 -13.479 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.821 -6.195 -12.889 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.722 -4.772 -13.906 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.840 -5.919 -15.672 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.149 -6.948 -14.655 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.187 -7.981 -13.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.745 -7.274 -15.438 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.122 -9.645 -15.144 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.662 -6.838 -17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.070 -7.659 -18.675 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.365 -10.683 -17.009 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.340 -9.823 -18.552 1.00 0.00 H new ATOM 832 N GLU A 53 -0.939 -3.585 -11.295 1.00 0.00 N ATOM 833 CA GLU A 53 -1.199 -2.268 -10.729 1.00 0.00 C ATOM 834 C GLU A 53 0.060 -1.688 -10.090 1.00 0.00 C ATOM 835 O GLU A 53 0.158 -0.480 -9.882 1.00 0.00 O ATOM 836 CB GLU A 53 -2.320 -2.348 -9.691 1.00 0.00 C ATOM 837 CG GLU A 53 -3.010 -1.017 -9.438 1.00 0.00 C ATOM 838 CD GLU A 53 -4.240 -0.823 -10.303 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.719 -1.817 -10.889 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.727 0.324 -10.395 1.00 0.00 O ATOM 0 H GLU A 53 -1.446 -4.346 -10.842 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.509 -1.609 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.061 -3.075 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.909 -2.719 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.295 -0.954 -8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.307 -0.206 -9.626 1.00 0.00 H new ATOM 847 N LEU A 54 1.020 -2.555 -9.775 1.00 0.00 N ATOM 848 CA LEU A 54 2.266 -2.119 -9.156 1.00 0.00 C ATOM 849 C LEU A 54 2.990 -1.127 -10.051 1.00 0.00 C ATOM 850 O LEU A 54 3.459 -0.088 -9.589 1.00 0.00 O ATOM 851 CB LEU A 54 3.167 -3.320 -8.872 1.00 0.00 C ATOM 852 CG LEU A 54 3.744 -3.377 -7.458 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.650 -3.164 -6.418 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.451 -4.703 -7.235 1.00 0.00 C ATOM 0 H LEU A 54 0.958 -3.560 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 54 2.025 -1.627 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.598 -4.232 -9.053 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.992 -3.312 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 54 4.472 -2.573 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.084 -3.209 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.189 -2.188 -6.570 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.894 -3.943 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.858 -4.733 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.741 -5.520 -7.364 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.262 -4.809 -7.956 1.00 0.00 H new ATOM 866 N GLN A 55 3.055 -1.437 -11.340 1.00 0.00 N ATOM 867 CA GLN A 55 3.699 -0.546 -12.293 1.00 0.00 C ATOM 868 C GLN A 55 2.921 0.760 -12.357 1.00 0.00 C ATOM 869 O GLN A 55 3.493 1.838 -12.524 1.00 0.00 O ATOM 870 CB GLN A 55 3.767 -1.196 -13.678 1.00 0.00 C ATOM 871 CG GLN A 55 5.185 -1.467 -14.152 1.00 0.00 C ATOM 872 CD GLN A 55 5.670 -2.855 -13.781 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.921 -3.829 -13.862 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.928 -2.953 -13.370 1.00 0.00 N ATOM 0 H GLN A 55 2.673 -2.291 -11.746 1.00 0.00 H new ATOM 0 HA GLN A 55 4.719 -0.346 -11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.214 -2.135 -13.657 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.269 -0.548 -14.399 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.231 -1.348 -15.234 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.856 -0.724 -13.721 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.514 -2.120 -13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.309 -3.862 -13.106 1.00 0.00 H new ATOM 883 N GLU A 56 1.605 0.647 -12.202 1.00 0.00 N ATOM 884 CA GLU A 56 0.722 1.803 -12.216 1.00 0.00 C ATOM 885 C GLU A 56 0.789 2.550 -10.895 1.00 0.00 C ATOM 886 O GLU A 56 0.474 3.737 -10.829 1.00 0.00 O ATOM 887 CB GLU A 56 -0.718 1.364 -12.466 1.00 0.00 C ATOM 888 CG GLU A 56 -1.590 2.444 -13.085 1.00 0.00 C ATOM 889 CD GLU A 56 -2.483 3.128 -12.067 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.780 2.508 -11.022 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.887 4.284 -12.315 1.00 0.00 O ATOM 0 H GLU A 56 1.126 -0.243 -12.064 1.00 0.00 H new ATOM 0 HA GLU A 56 1.050 2.465 -13.018 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.714 0.493 -13.122 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.161 1.049 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.954 3.189 -13.564 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.208 2.003 -13.867 1.00 0.00 H new ATOM 898 N GLU A 57 1.177 1.846 -9.834 1.00 0.00 N ATOM 899 CA GLU A 57 1.254 2.454 -8.515 1.00 0.00 C ATOM 900 C GLU A 57 2.702 2.653 -8.066 1.00 0.00 C ATOM 901 O GLU A 57 2.956 3.078 -6.939 1.00 0.00 O ATOM 902 CB GLU A 57 0.495 1.601 -7.502 1.00 0.00 C ATOM 903 CG GLU A 57 -0.971 1.417 -7.859 1.00 0.00 C ATOM 904 CD GLU A 57 -1.825 2.598 -7.441 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.415 3.327 -6.513 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.901 2.795 -8.042 1.00 0.00 O ATOM 0 H GLU A 57 1.441 0.861 -9.864 1.00 0.00 H new ATOM 0 HA GLU A 57 0.792 3.440 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.971 0.623 -7.430 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.568 2.064 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.063 1.269 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.347 0.513 -7.380 1.00 0.00 H new ATOM 913 N VAL A 58 3.643 2.365 -8.959 1.00 0.00 N ATOM 914 CA VAL A 58 5.059 2.532 -8.665 1.00 0.00 C ATOM 915 C VAL A 58 5.744 3.227 -9.829 1.00 0.00 C ATOM 916 O VAL A 58 6.533 4.152 -9.643 1.00 0.00 O ATOM 917 CB VAL A 58 5.752 1.179 -8.404 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.202 1.387 -7.993 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.009 0.387 -7.341 1.00 0.00 C ATOM 0 H VAL A 58 3.448 2.013 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 58 5.141 3.136 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 58 5.735 0.608 -9.332 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.672 0.420 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.735 1.907 -8.789 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.240 1.983 -7.081 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.516 -0.563 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.989 0.956 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.988 0.200 -7.674 1.00 0.00 H new ATOM 929 N GLY A 59 5.412 2.779 -11.036 1.00 0.00 N ATOM 930 CA GLY A 59 5.969 3.360 -12.241 1.00 0.00 C ATOM 931 C GLY A 59 7.449 3.104 -12.420 1.00 0.00 C ATOM 932 O GLY A 59 7.915 2.857 -13.532 1.00 0.00 O ATOM 0 H GLY A 59 4.758 2.014 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.435 2.963 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.796 4.436 -12.227 1.00 0.00 H new ATOM 936 N ILE A 60 8.184 3.174 -11.332 1.00 0.00 N ATOM 937 CA ILE A 60 9.620 2.962 -11.361 1.00 0.00 C ATOM 938 C ILE A 60 9.951 1.481 -11.451 1.00 0.00 C ATOM 939 O ILE A 60 9.059 0.635 -11.537 1.00 0.00 O ATOM 940 CB ILE A 60 10.338 3.547 -10.120 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.388 3.765 -8.941 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.045 4.845 -10.475 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.082 3.681 -7.599 1.00 0.00 C ATOM 0 H ILE A 60 7.809 3.378 -10.406 1.00 0.00 H new ATOM 0 HA ILE A 60 9.978 3.486 -12.247 1.00 0.00 H new ATOM 0 HB ILE A 60 11.076 2.810 -9.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.915 4.742 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.593 3.021 -8.980 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.544 5.241 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.784 4.656 -11.254 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.315 5.570 -10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.356 3.844 -6.803 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.532 2.695 -7.483 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.859 4.443 -7.543 1.00 0.00 H new ATOM 955 N THR A 61 11.242 1.178 -11.430 1.00 0.00 N ATOM 956 CA THR A 61 11.715 -0.184 -11.505 1.00 0.00 C ATOM 957 C THR A 61 12.389 -0.569 -10.195 1.00 0.00 C ATOM 958 O THR A 61 13.591 -0.364 -10.025 1.00 0.00 O ATOM 959 CB THR A 61 12.714 -0.284 -12.644 1.00 0.00 C ATOM 960 OG1 THR A 61 13.357 0.961 -12.853 1.00 0.00 O ATOM 961 CG2 THR A 61 12.087 -0.698 -13.954 1.00 0.00 C ATOM 0 H THR A 61 11.985 1.874 -11.360 1.00 0.00 H new ATOM 0 HA THR A 61 10.878 -0.860 -11.680 1.00 0.00 H new ATOM 0 HB THR A 61 13.424 -1.053 -12.340 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.999 0.878 -13.589 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.856 -0.750 -14.725 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.620 -1.676 -13.841 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.332 0.033 -14.243 1.00 0.00 H new ATOM 969 N PRO A 62 11.619 -1.083 -9.227 1.00 0.00 N ATOM 970 CA PRO A 62 12.117 -1.437 -7.919 1.00 0.00 C ATOM 971 C PRO A 62 12.123 -2.930 -7.644 1.00 0.00 C ATOM 972 O PRO A 62 11.197 -3.638 -8.039 1.00 0.00 O ATOM 973 CB PRO A 62 11.031 -0.790 -7.079 1.00 0.00 C ATOM 974 CG PRO A 62 9.771 -1.130 -7.814 1.00 0.00 C ATOM 975 CD PRO A 62 10.164 -1.299 -9.267 1.00 0.00 C ATOM 0 HA PRO A 62 13.150 -1.132 -7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.022 -1.184 -6.063 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.172 0.288 -7.002 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.326 -2.044 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.029 -0.340 -7.701 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.910 -2.290 -9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.663 -0.575 -9.910 1.00 0.00 H new ATOM 983 N GLN A 63 13.117 -3.401 -6.895 1.00 0.00 N ATOM 984 CA GLN A 63 13.130 -4.800 -6.518 1.00 0.00 C ATOM 985 C GLN A 63 12.076 -4.941 -5.438 1.00 0.00 C ATOM 986 O GLN A 63 12.366 -4.919 -4.243 1.00 0.00 O ATOM 987 CB GLN A 63 14.504 -5.229 -6.006 1.00 0.00 C ATOM 988 CG GLN A 63 15.652 -4.705 -6.851 1.00 0.00 C ATOM 989 CD GLN A 63 17.008 -4.977 -6.229 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.175 -5.933 -5.473 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.983 -4.134 -6.545 1.00 0.00 N ATOM 0 H GLN A 63 13.901 -2.848 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 63 12.918 -5.442 -7.373 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.627 -4.879 -4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.550 -6.318 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.611 -5.165 -7.838 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.531 -3.631 -6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.799 -3.355 -7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.917 -4.266 -6.156 1.00 0.00 H new ATOM 1000 N HIS A 64 10.839 -5.010 -5.896 1.00 0.00 N ATOM 1001 CA HIS A 64 9.682 -5.071 -5.024 1.00 0.00 C ATOM 1002 C HIS A 64 8.890 -6.346 -5.265 1.00 0.00 C ATOM 1003 O HIS A 64 8.556 -6.669 -6.406 1.00 0.00 O ATOM 1004 CB HIS A 64 8.827 -3.829 -5.307 1.00 0.00 C ATOM 1005 CG HIS A 64 7.386 -3.932 -4.895 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.929 -4.805 -3.932 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.295 -3.261 -5.336 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.620 -4.671 -3.803 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.211 -3.740 -4.642 1.00 0.00 N ATOM 0 H HIS A 64 10.609 -5.025 -6.890 1.00 0.00 H new ATOM 0 HA HIS A 64 9.992 -5.085 -3.979 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.274 -2.977 -4.795 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.868 -3.616 -6.375 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.510 -5.454 -3.401 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.280 -2.491 -6.094 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.992 -5.230 -3.125 1.00 0.00 H new ATOM 1018 N PHE A 65 8.602 -7.076 -4.193 1.00 0.00 N ATOM 1019 CA PHE A 65 7.864 -8.321 -4.315 1.00 0.00 C ATOM 1020 C PHE A 65 7.636 -8.985 -2.960 1.00 0.00 C ATOM 1021 O PHE A 65 8.237 -8.600 -1.959 1.00 0.00 O ATOM 1022 CB PHE A 65 8.648 -9.266 -5.201 1.00 0.00 C ATOM 1023 CG PHE A 65 7.800 -10.276 -5.918 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.679 -9.874 -6.626 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.122 -11.623 -5.888 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.895 -10.797 -7.291 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.342 -12.552 -6.553 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.226 -12.137 -7.255 1.00 0.00 C ATOM 0 H PHE A 65 8.867 -6.828 -3.240 1.00 0.00 H new ATOM 0 HA PHE A 65 6.888 -8.096 -4.746 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.201 -8.683 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.384 -9.791 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.415 -8.827 -6.658 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.992 -11.952 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.023 -10.470 -7.839 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.604 -13.599 -6.524 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.614 -12.860 -7.774 1.00 0.00 H new ATOM 1038 N SER A 66 6.773 -10.001 -2.951 1.00 0.00 N ATOM 1039 CA SER A 66 6.452 -10.751 -1.735 1.00 0.00 C ATOM 1040 C SER A 66 5.371 -10.038 -0.933 1.00 0.00 C ATOM 1041 O SER A 66 5.195 -8.827 -1.053 1.00 0.00 O ATOM 1042 CB SER A 66 7.699 -10.960 -0.868 1.00 0.00 C ATOM 1043 OG SER A 66 7.632 -12.191 -0.168 1.00 0.00 O ATOM 0 H SER A 66 6.279 -10.327 -3.782 1.00 0.00 H new ATOM 0 HA SER A 66 6.078 -11.729 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.590 -10.943 -1.496 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.794 -10.139 -0.158 1.00 0.00 H new ATOM 0 HG SER A 66 8.439 -12.302 0.376 1.00 0.00 H new ATOM 1049 N LEU A 67 4.644 -10.797 -0.120 1.00 0.00 N ATOM 1050 CA LEU A 67 3.577 -10.231 0.696 1.00 0.00 C ATOM 1051 C LEU A 67 3.911 -10.322 2.182 1.00 0.00 C ATOM 1052 O LEU A 67 4.154 -11.408 2.708 1.00 0.00 O ATOM 1053 CB LEU A 67 2.249 -10.939 0.406 1.00 0.00 C ATOM 1054 CG LEU A 67 2.064 -12.298 1.087 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.466 -12.123 2.476 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.186 -13.202 0.235 1.00 0.00 C ATOM 0 H LEU A 67 4.774 -11.803 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 67 3.479 -9.177 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.434 -10.284 0.713 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.158 -11.077 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 67 3.042 -12.768 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.342 -13.099 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.132 -11.511 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.496 -11.633 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.064 -14.164 0.732 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.209 -12.737 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.655 -13.353 -0.737 1.00 0.00 H new ATOM 1068 N PHE A 68 3.913 -9.175 2.852 1.00 0.00 N ATOM 1069 CA PHE A 68 4.208 -9.127 4.278 1.00 0.00 C ATOM 1070 C PHE A 68 2.997 -9.599 5.080 1.00 0.00 C ATOM 1071 O PHE A 68 3.133 -10.289 6.091 1.00 0.00 O ATOM 1072 CB PHE A 68 4.622 -7.704 4.686 1.00 0.00 C ATOM 1073 CG PHE A 68 3.707 -7.043 5.686 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.505 -6.486 5.283 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.056 -6.978 7.025 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.667 -5.875 6.198 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.222 -6.370 7.944 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.026 -5.816 7.530 1.00 0.00 C ATOM 0 H PHE A 68 3.714 -8.268 2.431 1.00 0.00 H new ATOM 0 HA PHE A 68 5.041 -9.796 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.629 -7.739 5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.669 -7.083 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.219 -6.529 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.991 -7.407 7.355 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.732 -5.444 5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.505 -6.328 8.985 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.374 -5.338 8.246 1.00 0.00 H new ATOM 1088 N GLU A 69 1.813 -9.220 4.610 1.00 0.00 N ATOM 1089 CA GLU A 69 0.565 -9.596 5.261 1.00 0.00 C ATOM 1090 C GLU A 69 -0.626 -9.207 4.390 1.00 0.00 C ATOM 1091 O GLU A 69 -0.622 -8.152 3.759 1.00 0.00 O ATOM 1092 CB GLU A 69 0.459 -8.926 6.634 1.00 0.00 C ATOM 1093 CG GLU A 69 0.414 -9.913 7.790 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.551 -9.490 8.880 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.874 -8.286 8.952 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -0.983 -10.364 9.661 1.00 0.00 O ATOM 0 H GLU A 69 1.693 -8.648 3.774 1.00 0.00 H new ATOM 0 HA GLU A 69 0.557 -10.677 5.399 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.310 -8.258 6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.439 -8.308 6.659 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.124 -10.894 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.413 -10.016 8.214 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.641 -10.060 4.354 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.830 -9.786 3.553 1.00 0.00 C ATOM 1105 C LYS A 70 -4.090 -10.280 4.260 1.00 0.00 C ATOM 1106 O LYS A 70 -4.138 -11.413 4.739 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.707 -10.450 2.180 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.503 -11.955 2.246 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.801 -12.706 1.998 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.551 -14.185 1.750 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.436 -14.726 0.682 1.00 0.00 N ATOM 0 H LYS A 70 -1.667 -10.942 4.866 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.910 -8.707 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.607 -10.239 1.602 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.871 -10.002 1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.761 -12.255 1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.106 -12.227 3.224 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.461 -12.587 2.857 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.314 -12.274 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.509 -14.335 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.715 -14.741 2.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.235 -15.737 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.431 -14.606 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.262 -14.213 -0.206 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.110 -9.429 4.319 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.369 -9.791 4.964 1.00 0.00 C ATOM 1127 C LEU A 71 -7.543 -9.613 4.007 1.00 0.00 C ATOM 1128 O LEU A 71 -7.417 -8.961 2.970 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.588 -8.948 6.224 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.690 -7.439 5.992 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -8.060 -7.074 5.443 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -6.416 -6.686 7.283 1.00 0.00 C ATOM 0 H LEU A 71 -5.090 -8.487 3.929 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.311 -10.842 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.501 -9.286 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.767 -9.138 6.915 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.939 -7.151 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.113 -5.997 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.221 -7.589 4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.829 -7.375 6.155 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.492 -5.614 7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.146 -6.979 8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.413 -6.924 7.637 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.683 -10.198 4.360 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.877 -10.106 3.531 1.00 0.00 C ATOM 1146 C GLU A 72 -11.123 -9.913 4.396 1.00 0.00 C ATOM 1147 O GLU A 72 -11.478 -10.780 5.194 1.00 0.00 O ATOM 1148 CB GLU A 72 -10.010 -11.368 2.668 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.431 -11.662 2.215 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.492 -12.730 1.140 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -11.481 -13.928 1.491 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.551 -12.366 -0.054 1.00 0.00 O ATOM 0 H GLU A 72 -8.804 -10.741 5.215 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.784 -9.239 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.374 -11.263 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.636 -12.222 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.023 -11.981 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.885 -10.746 1.838 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.785 -8.773 4.224 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.993 -8.465 4.981 1.00 0.00 C ATOM 1161 C TYR A 73 -14.018 -7.760 4.096 1.00 0.00 C ATOM 1162 O TYR A 73 -13.657 -7.098 3.125 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.659 -7.594 6.194 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.164 -6.210 5.836 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -11.004 -6.036 5.095 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.859 -5.078 6.243 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.548 -4.772 4.768 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.411 -3.811 5.920 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.255 -3.664 5.183 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.806 -2.404 4.859 1.00 0.00 O ATOM 0 H TYR A 73 -11.504 -8.046 3.566 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.423 -9.404 5.331 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.548 -7.501 6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.900 -8.097 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.448 -6.902 4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.764 -5.190 6.821 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.643 -4.654 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.963 -2.941 6.243 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.132 -2.469 4.151 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.295 -7.908 4.433 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.360 -7.281 3.658 1.00 0.00 C ATOM 1182 C GLU A 74 -17.151 -6.289 4.504 1.00 0.00 C ATOM 1183 O GLU A 74 -17.687 -6.636 5.556 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.303 -8.339 3.080 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.766 -9.369 4.096 1.00 0.00 C ATOM 1186 CD GLU A 74 -18.259 -10.648 3.448 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -19.111 -10.561 2.538 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.793 -11.735 3.847 1.00 0.00 O ATOM 0 H GLU A 74 -15.617 -8.453 5.233 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.892 -6.736 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.176 -7.842 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.800 -8.852 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.943 -9.602 4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.565 -8.942 4.702 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.220 -5.054 4.024 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.942 -3.996 4.704 1.00 0.00 C ATOM 1197 C PHE A 75 -19.443 -4.121 4.445 1.00 0.00 C ATOM 1198 O PHE A 75 -19.859 -4.819 3.521 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.432 -2.636 4.227 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.389 -2.024 5.122 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.502 -2.096 6.503 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.293 -1.374 4.577 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.543 -1.531 7.320 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -14.330 -0.807 5.392 1.00 0.00 C ATOM 1205 CZ PHE A 75 -14.455 -0.886 6.765 1.00 0.00 C ATOM 0 H PHE A 75 -16.776 -4.762 3.153 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.772 -4.084 5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.017 -2.746 3.225 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.276 -1.950 4.148 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.350 -2.600 6.944 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.190 -1.309 3.504 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.644 -1.593 8.393 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -13.481 -0.303 4.955 1.00 0.00 H new ATOM 0 HZ PHE A 75 -13.704 -0.445 7.403 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.275 -3.450 5.259 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.733 -3.488 5.117 1.00 0.00 C ATOM 1217 C PRO A 76 -22.183 -3.137 3.704 1.00 0.00 C ATOM 1218 O PRO A 76 -22.554 -1.996 3.423 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.237 -2.440 6.121 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.030 -1.665 6.532 1.00 0.00 C ATOM 1221 CD PRO A 76 -19.863 -2.594 6.372 1.00 0.00 C ATOM 0 HA PRO A 76 -22.128 -4.486 5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -22.984 -1.790 5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.709 -2.916 6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -20.908 -0.776 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.118 -1.325 7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -18.944 -2.053 6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.679 -3.171 7.278 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.140 -4.136 2.826 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.535 -3.984 1.421 1.00 0.00 C ATOM 1231 C ASP A 77 -21.345 -3.594 0.544 1.00 0.00 C ATOM 1232 O ASP A 77 -21.516 -3.240 -0.623 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.657 -2.950 1.265 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.586 -3.276 0.113 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.172 -4.035 -0.788 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.730 -2.772 0.111 1.00 0.00 O ATOM 0 H ASP A 77 -21.830 -5.078 3.066 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.906 -4.954 1.090 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.232 -2.900 2.189 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.220 -1.964 1.108 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.140 -3.668 1.103 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.931 -3.328 0.360 1.00 0.00 C ATOM 1243 C ARG A 78 -17.822 -4.338 0.638 1.00 0.00 C ATOM 1244 O ARG A 78 -17.096 -4.218 1.622 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.458 -1.920 0.725 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.499 -1.320 -0.290 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.193 0.138 0.021 1.00 0.00 C ATOM 1248 NE ARG A 78 -15.857 0.310 0.589 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.199 1.468 0.600 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -15.752 2.559 0.083 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.986 1.537 1.132 1.00 0.00 N ATOM 0 H ARG A 78 -19.975 -3.960 2.066 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.168 -3.357 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.326 -1.268 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.971 -1.950 1.700 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.572 -1.893 -0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -17.930 -1.397 -1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.277 0.728 -0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.936 0.523 0.720 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.402 -0.505 1.001 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -16.686 2.513 -0.325 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.243 3.443 0.094 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.557 0.703 1.533 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.482 2.424 1.140 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.689 -5.329 -0.237 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.660 -6.349 -0.077 1.00 0.00 C ATOM 1267 C HIS A 79 -15.319 -5.827 -0.572 1.00 0.00 C ATOM 1268 O HIS A 79 -15.105 -5.689 -1.776 1.00 0.00 O ATOM 1269 CB HIS A 79 -17.044 -7.619 -0.840 1.00 0.00 C ATOM 1270 CG HIS A 79 -16.514 -8.873 -0.218 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.275 -8.951 0.384 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -17.062 -10.107 -0.105 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -15.084 -10.176 0.839 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -16.153 -10.896 0.555 1.00 0.00 N ATOM 0 H HIS A 79 -18.278 -5.447 -1.061 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.574 -6.591 0.982 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -18.131 -7.683 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.673 -7.545 -1.862 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.033 -10.413 -0.467 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.203 -10.528 1.355 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -16.283 -11.880 0.788 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.420 -5.523 0.359 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.110 -5.001 -0.006 1.00 0.00 C ATOM 1285 C ILE A 80 -11.978 -5.894 0.489 1.00 0.00 C ATOM 1286 O ILE A 80 -11.896 -6.220 1.673 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.904 -3.560 0.519 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -12.484 -3.570 1.993 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -14.173 -2.739 0.328 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -12.356 -2.189 2.601 1.00 0.00 C ATOM 0 H ILE A 80 -14.573 -5.628 1.362 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.082 -4.986 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.102 -3.098 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -13.214 -4.143 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.529 -4.088 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.012 -1.728 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.424 -2.698 -0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -14.993 -3.203 0.877 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.056 -2.278 3.645 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.605 -1.619 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.315 -1.675 2.542 1.00 0.00 H new ATOM 1302 N THR A 81 -11.099 -6.273 -0.431 1.00 0.00 N ATOM 1303 CA THR A 81 -9.961 -7.111 -0.108 1.00 0.00 C ATOM 1304 C THR A 81 -8.721 -6.250 0.101 1.00 0.00 C ATOM 1305 O THR A 81 -8.285 -5.550 -0.813 1.00 0.00 O ATOM 1306 CB THR A 81 -9.720 -8.108 -1.240 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.334 -7.666 -2.436 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.245 -9.494 -0.945 1.00 0.00 C ATOM 0 H THR A 81 -11.158 -6.008 -1.414 1.00 0.00 H new ATOM 0 HA THR A 81 -10.169 -7.657 0.812 1.00 0.00 H new ATOM 0 HB THR A 81 -8.636 -8.163 -1.345 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.302 -7.804 -2.377 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.039 -10.149 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.754 -9.887 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.321 -9.447 -0.776 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.155 -6.298 1.301 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.968 -5.510 1.603 1.00 0.00 C ATOM 1318 C LEU A 82 -5.724 -6.389 1.636 1.00 0.00 C ATOM 1319 O LEU A 82 -5.582 -7.252 2.501 1.00 0.00 O ATOM 1320 CB LEU A 82 -7.137 -4.798 2.945 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.089 -3.727 3.247 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.575 -2.363 2.783 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.767 -3.704 4.733 1.00 0.00 C ATOM 0 H LEU A 82 -8.496 -6.869 2.074 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.844 -4.767 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.124 -4.336 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.112 -5.543 3.740 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.177 -3.970 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.817 -1.612 3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.757 -2.388 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.500 -2.110 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.019 -2.936 4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.673 -3.483 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.378 -4.676 5.036 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.826 -6.162 0.682 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.593 -6.933 0.597 1.00 0.00 C ATOM 1337 C TRP A 83 -2.379 -6.048 0.825 1.00 0.00 C ATOM 1338 O TRP A 83 -2.158 -5.079 0.099 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.467 -7.611 -0.771 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.554 -8.598 -1.052 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.857 -8.497 -0.678 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.434 -9.833 -1.767 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.562 -9.588 -1.114 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.711 -10.426 -1.786 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.375 -10.494 -2.394 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.955 -11.649 -2.407 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.618 -11.708 -3.010 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.899 -12.273 -3.012 1.00 0.00 C ATOM 0 H TRP A 83 -4.930 -5.451 -0.042 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.633 -7.694 1.376 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.472 -6.847 -1.548 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.504 -8.118 -0.829 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.276 -7.675 -0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.558 -9.750 -0.963 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.384 -10.065 -2.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.942 -12.088 -2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.807 -12.229 -3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.057 -13.222 -3.502 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.583 -6.403 1.818 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.369 -5.652 2.121 1.00 0.00 C ATOM 1361 C PHE A 84 0.854 -6.437 1.648 1.00 0.00 C ATOM 1362 O PHE A 84 1.185 -7.485 2.201 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.275 -5.332 3.620 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.960 -4.047 4.005 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.113 -3.639 3.351 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.455 -3.246 5.022 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.748 -2.463 3.700 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.087 -2.068 5.375 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.235 -1.677 4.712 1.00 0.00 C ATOM 0 H PHE A 84 -1.751 -7.203 2.428 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.403 -4.701 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.715 -6.153 4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.775 -5.274 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.520 -4.249 2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.442 -3.547 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.645 -2.159 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.684 -1.454 6.167 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.730 -0.757 4.986 1.00 0.00 H new ATOM 1379 N TRP A 85 1.496 -5.934 0.598 1.00 0.00 N ATOM 1380 CA TRP A 85 2.658 -6.593 0.011 1.00 0.00 C ATOM 1381 C TRP A 85 3.972 -6.046 0.559 1.00 0.00 C ATOM 1382 O TRP A 85 4.074 -4.869 0.908 1.00 0.00 O ATOM 1383 CB TRP A 85 2.631 -6.446 -1.510 1.00 0.00 C ATOM 1384 CG TRP A 85 1.536 -7.234 -2.161 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.211 -6.910 -2.208 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.670 -8.480 -2.854 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.487 -7.878 -2.889 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.387 -8.853 -3.295 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.751 -9.317 -3.145 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.155 -10.024 -4.012 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.520 -10.480 -3.856 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.231 -10.823 -4.283 1.00 0.00 C ATOM 0 H TRP A 85 1.229 -5.066 0.134 1.00 0.00 H new ATOM 0 HA TRP A 85 2.603 -7.647 0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.512 -5.393 -1.764 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.591 -6.766 -1.916 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.225 -6.023 -1.773 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.492 -7.872 -3.064 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.748 -9.060 -2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.838 -10.291 -4.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.347 -11.135 -4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.084 -11.738 -4.838 1.00 0.00 H new ATOM 1403 N LEU A 86 4.975 -6.917 0.624 1.00 0.00 N ATOM 1404 CA LEU A 86 6.293 -6.544 1.120 1.00 0.00 C ATOM 1405 C LEU A 86 7.219 -6.152 -0.032 1.00 0.00 C ATOM 1406 O LEU A 86 7.228 -6.789 -1.080 1.00 0.00 O ATOM 1407 CB LEU A 86 6.905 -7.701 1.912 1.00 0.00 C ATOM 1408 CG LEU A 86 8.334 -7.464 2.407 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.377 -6.285 3.366 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.880 -8.718 3.073 1.00 0.00 C ATOM 0 H LEU A 86 4.897 -7.893 0.337 1.00 0.00 H new ATOM 0 HA LEU A 86 6.178 -5.682 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.269 -7.909 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.897 -8.594 1.286 1.00 0.00 H new ATOM 0 HG LEU A 86 8.963 -7.229 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.401 -6.131 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.026 -5.388 2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.735 -6.489 4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.897 -8.533 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.250 -8.983 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.885 -9.538 2.355 1.00 0.00 H new ATOM 1422 N VAL A 87 7.988 -5.092 0.178 1.00 0.00 N ATOM 1423 CA VAL A 87 8.927 -4.589 -0.823 1.00 0.00 C ATOM 1424 C VAL A 87 10.319 -4.527 -0.253 1.00 0.00 C ATOM 1425 O VAL A 87 10.485 -4.275 0.940 1.00 0.00 O ATOM 1426 CB VAL A 87 8.553 -3.194 -1.298 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.447 -2.757 -2.448 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.090 -3.167 -1.697 1.00 0.00 C ATOM 0 H VAL A 87 7.981 -4.555 1.045 1.00 0.00 H new ATOM 0 HA VAL A 87 8.886 -5.279 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 87 8.704 -2.487 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.161 -1.756 -2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.486 -2.749 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.336 -3.453 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.824 -2.166 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.919 -3.881 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.474 -3.434 -0.839 1.00 0.00 H new ATOM 1438 N GLU A 88 11.325 -4.778 -1.078 1.00 0.00 N ATOM 1439 CA GLU A 88 12.683 -4.752 -0.563 1.00 0.00 C ATOM 1440 C GLU A 88 13.544 -3.607 -1.115 1.00 0.00 C ATOM 1441 O GLU A 88 14.515 -3.211 -0.470 1.00 0.00 O ATOM 1442 CB GLU A 88 13.381 -6.091 -0.815 1.00 0.00 C ATOM 1443 CG GLU A 88 12.436 -7.282 -0.843 1.00 0.00 C ATOM 1444 CD GLU A 88 11.866 -7.607 0.523 1.00 0.00 C ATOM 1445 OE1 GLU A 88 12.527 -7.288 1.534 1.00 0.00 O ATOM 1446 OE2 GLU A 88 10.756 -8.178 0.583 1.00 0.00 O ATOM 0 H GLU A 88 11.233 -4.994 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 88 12.583 -4.573 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.913 -6.039 -1.765 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.129 -6.251 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.618 -7.076 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.967 -8.153 -1.228 1.00 0.00 H new ATOM 1453 N ARG A 89 13.224 -3.081 -2.296 1.00 0.00 N ATOM 1454 CA ARG A 89 14.032 -2.003 -2.864 1.00 0.00 C ATOM 1455 C ARG A 89 13.285 -1.270 -3.973 1.00 0.00 C ATOM 1456 O ARG A 89 12.336 -1.800 -4.547 1.00 0.00 O ATOM 1457 CB ARG A 89 15.362 -2.582 -3.381 1.00 0.00 C ATOM 1458 CG ARG A 89 16.042 -1.768 -4.477 1.00 0.00 C ATOM 1459 CD ARG A 89 16.763 -0.556 -3.910 1.00 0.00 C ATOM 1460 NE ARG A 89 18.212 -0.662 -4.061 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.044 0.375 -3.982 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.575 1.596 -3.758 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.348 0.190 -4.131 1.00 0.00 N ATOM 0 H ARG A 89 12.431 -3.374 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 89 14.239 -1.271 -2.083 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.050 -2.676 -2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.180 -3.588 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.753 -2.398 -5.010 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.298 -1.442 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.411 0.344 -4.414 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.515 -0.448 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 89 18.610 -1.584 -4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.572 1.744 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.217 2.386 -3.699 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.714 -0.746 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 89 20.986 0.984 -4.071 1.00 0.00 H new ATOM 1477 N TRP A 90 13.737 -0.055 -4.283 1.00 0.00 N ATOM 1478 CA TRP A 90 13.124 0.737 -5.342 1.00 0.00 C ATOM 1479 C TRP A 90 14.099 1.781 -5.885 1.00 0.00 C ATOM 1480 O TRP A 90 14.605 2.620 -5.142 1.00 0.00 O ATOM 1481 CB TRP A 90 11.819 1.376 -4.841 1.00 0.00 C ATOM 1482 CG TRP A 90 11.951 2.767 -4.303 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.222 3.902 -5.012 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.785 3.171 -2.943 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.240 4.988 -4.172 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.973 4.565 -2.896 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.495 2.488 -1.758 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.879 5.288 -1.713 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.403 3.210 -0.582 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.593 4.597 -0.569 1.00 0.00 C ATOM 0 H TRP A 90 14.523 0.398 -3.816 1.00 0.00 H new ATOM 0 HA TRP A 90 12.875 0.076 -6.172 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.102 1.388 -5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.399 0.741 -4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.397 3.940 -6.077 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.422 5.952 -4.452 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.346 1.418 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.027 6.358 -1.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.181 2.696 0.341 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.512 5.133 0.365 1.00 0.00 H new ATOM 1501 N GLU A 91 14.366 1.711 -7.192 1.00 0.00 N ATOM 1502 CA GLU A 91 15.288 2.642 -7.832 1.00 0.00 C ATOM 1503 C GLU A 91 14.632 4.000 -8.059 1.00 0.00 C ATOM 1504 O GLU A 91 13.408 4.103 -8.153 1.00 0.00 O ATOM 1505 CB GLU A 91 15.775 2.072 -9.166 1.00 0.00 C ATOM 1506 CG GLU A 91 16.793 0.954 -9.014 1.00 0.00 C ATOM 1507 CD GLU A 91 17.756 0.878 -10.184 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.352 0.374 -11.252 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.912 1.324 -10.030 1.00 0.00 O ATOM 0 H GLU A 91 13.957 1.021 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 91 16.140 2.780 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.918 1.698 -9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.216 2.876 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.357 1.104 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.270 0.003 -8.916 1.00 0.00 H new ATOM 1516 N GLY A 92 15.456 5.041 -8.146 1.00 0.00 N ATOM 1517 CA GLY A 92 14.943 6.382 -8.361 1.00 0.00 C ATOM 1518 C GLY A 92 13.903 6.780 -7.333 1.00 0.00 C ATOM 1519 O GLY A 92 14.102 6.588 -6.132 1.00 0.00 O ATOM 0 H GLY A 92 16.471 4.979 -8.071 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.769 7.092 -8.330 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.506 6.444 -9.358 1.00 0.00 H new ATOM 1523 N GLU A 93 12.791 7.332 -7.803 1.00 0.00 N ATOM 1524 CA GLU A 93 11.714 7.756 -6.917 1.00 0.00 C ATOM 1525 C GLU A 93 10.408 7.054 -7.281 1.00 0.00 C ATOM 1526 O GLU A 93 10.153 6.774 -8.452 1.00 0.00 O ATOM 1527 CB GLU A 93 11.530 9.274 -6.992 1.00 0.00 C ATOM 1528 CG GLU A 93 12.763 10.057 -6.575 1.00 0.00 C ATOM 1529 CD GLU A 93 12.481 11.537 -6.400 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.665 12.082 -7.172 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.078 12.151 -5.490 1.00 0.00 O ATOM 0 H GLU A 93 12.611 7.497 -8.793 1.00 0.00 H new ATOM 0 HA GLU A 93 11.984 7.482 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.263 9.549 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.694 9.562 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.148 9.651 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.543 9.925 -7.325 1.00 0.00 H new ATOM 1538 N PRO A 94 9.552 6.769 -6.283 1.00 0.00 N ATOM 1539 CA PRO A 94 8.267 6.111 -6.505 1.00 0.00 C ATOM 1540 C PRO A 94 7.243 7.076 -7.074 1.00 0.00 C ATOM 1541 O PRO A 94 7.033 8.158 -6.525 1.00 0.00 O ATOM 1542 CB PRO A 94 7.842 5.640 -5.102 1.00 0.00 C ATOM 1543 CG PRO A 94 8.982 5.977 -4.192 1.00 0.00 C ATOM 1544 CD PRO A 94 9.746 7.078 -4.866 1.00 0.00 C ATOM 0 HA PRO A 94 8.341 5.295 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.927 6.139 -4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.640 4.569 -5.094 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.619 6.297 -3.215 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.618 5.107 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.355 8.062 -4.607 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.800 7.071 -4.589 1.00 0.00 H new ATOM 1552 N TRP A 95 6.598 6.692 -8.168 1.00 0.00 N ATOM 1553 CA TRP A 95 5.597 7.553 -8.773 1.00 0.00 C ATOM 1554 C TRP A 95 4.358 6.776 -9.190 1.00 0.00 C ATOM 1555 O TRP A 95 3.252 7.069 -8.738 1.00 0.00 O ATOM 1556 CB TRP A 95 6.169 8.308 -9.977 1.00 0.00 C ATOM 1557 CG TRP A 95 6.852 7.451 -11.013 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.179 7.143 -11.068 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.250 6.820 -12.154 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.446 6.378 -12.182 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.279 6.169 -12.865 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.944 6.743 -12.648 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.041 5.461 -14.041 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.710 6.036 -13.813 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.755 5.408 -14.501 1.00 0.00 C ATOM 0 H TRP A 95 6.748 5.804 -8.647 1.00 0.00 H new ATOM 0 HA TRP A 95 5.304 8.276 -8.012 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.359 8.855 -10.459 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.882 9.048 -9.615 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.915 7.454 -10.342 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.364 6.025 -12.453 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.131 7.228 -12.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.845 4.971 -14.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.704 5.967 -14.199 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.541 4.871 -15.413 1.00 0.00 H new ATOM 1576 N GLY A 96 4.550 5.793 -10.058 1.00 0.00 N ATOM 1577 CA GLY A 96 3.434 4.992 -10.533 1.00 0.00 C ATOM 1578 C GLY A 96 2.219 5.828 -10.901 1.00 0.00 C ATOM 1579 O GLY A 96 2.130 6.354 -12.010 1.00 0.00 O ATOM 0 H GLY A 96 5.458 5.534 -10.443 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.750 4.418 -11.404 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.155 4.274 -9.762 1.00 0.00 H new ATOM 1583 N LYS A 97 1.280 5.943 -9.964 1.00 0.00 N ATOM 1584 CA LYS A 97 0.061 6.716 -10.188 1.00 0.00 C ATOM 1585 C LYS A 97 -0.871 6.639 -8.980 1.00 0.00 C ATOM 1586 O LYS A 97 -2.094 6.650 -9.130 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.668 6.213 -11.439 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.221 7.330 -12.308 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.249 8.162 -11.559 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.003 9.092 -12.495 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.735 10.156 -11.752 1.00 0.00 N ATOM 0 H LYS A 97 1.340 5.510 -9.042 1.00 0.00 H new ATOM 0 HA LYS A 97 0.349 7.757 -10.335 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.019 5.608 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.487 5.560 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.405 7.971 -12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.677 6.905 -13.202 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.955 7.502 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.751 8.748 -10.786 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.302 9.552 -13.191 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.710 8.513 -13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.236 10.769 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.422 9.718 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.058 10.725 -11.204 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.293 6.565 -7.786 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.084 6.491 -6.558 1.00 0.00 C ATOM 1607 C GLU A 98 -1.968 7.729 -6.410 1.00 0.00 C ATOM 1608 O GLU A 98 -3.046 7.664 -5.822 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.181 6.332 -5.324 1.00 0.00 C ATOM 1610 CG GLU A 98 1.244 6.834 -5.514 1.00 0.00 C ATOM 1611 CD GLU A 98 1.303 8.246 -6.060 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.195 9.197 -5.259 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.458 8.403 -7.290 1.00 0.00 O ATOM 0 H GLU A 98 0.716 6.555 -7.640 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.723 5.611 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.632 6.867 -4.488 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.147 5.278 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.767 6.797 -4.559 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.772 6.165 -6.193 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.511 8.851 -6.962 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.283 10.079 -6.894 1.00 0.00 C ATOM 1622 C GLY A 99 -1.927 10.960 -5.708 1.00 0.00 C ATOM 1623 O GLY A 99 -2.484 12.047 -5.554 1.00 0.00 O ATOM 0 H GLY A 99 -0.621 8.931 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.131 10.644 -7.814 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.343 9.829 -6.844 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.006 10.502 -4.863 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.603 11.277 -3.693 1.00 0.00 C ATOM 1629 C GLN A 100 0.899 11.191 -3.455 1.00 0.00 C ATOM 1630 O GLN A 100 1.388 10.256 -2.820 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.361 10.799 -2.452 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.631 11.584 -2.176 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.709 10.739 -1.525 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.857 10.724 -1.970 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.344 10.030 -0.464 1.00 0.00 N ATOM 0 H GLN A 100 -0.529 9.606 -4.965 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.852 12.321 -3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.614 9.746 -2.574 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.704 10.870 -1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.398 12.430 -1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.011 11.994 -3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.382 10.072 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.026 9.443 0.016 1.00 0.00 H new ATOM 1644 N PRO A 101 1.652 12.182 -3.960 1.00 0.00 N ATOM 1645 CA PRO A 101 3.107 12.236 -3.801 1.00 0.00 C ATOM 1646 C PRO A 101 3.553 11.890 -2.382 1.00 0.00 C ATOM 1647 O PRO A 101 2.909 12.279 -1.407 1.00 0.00 O ATOM 1648 CB PRO A 101 3.409 13.698 -4.110 1.00 0.00 C ATOM 1649 CG PRO A 101 2.392 14.070 -5.127 1.00 0.00 C ATOM 1650 CD PRO A 101 1.141 13.337 -4.728 1.00 0.00 C ATOM 0 HA PRO A 101 3.626 11.519 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.327 14.319 -3.218 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.421 13.824 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.228 15.147 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.714 13.782 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.484 13.963 -4.124 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.567 13.019 -5.598 1.00 0.00 H new ATOM 1658 N GLY A 102 4.658 11.157 -2.273 1.00 0.00 N ATOM 1659 CA GLY A 102 5.164 10.773 -0.967 1.00 0.00 C ATOM 1660 C GLY A 102 6.660 10.981 -0.830 1.00 0.00 C ATOM 1661 O GLY A 102 7.346 11.280 -1.808 1.00 0.00 O ATOM 0 H GLY A 102 5.210 10.823 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.650 11.351 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.930 9.724 -0.786 1.00 0.00 H new ATOM 1665 N GLU A 103 7.166 10.817 0.389 1.00 0.00 N ATOM 1666 CA GLU A 103 8.591 10.980 0.663 1.00 0.00 C ATOM 1667 C GLU A 103 9.143 9.741 1.363 1.00 0.00 C ATOM 1668 O GLU A 103 8.394 8.988 1.984 1.00 0.00 O ATOM 1669 CB GLU A 103 8.829 12.219 1.527 1.00 0.00 C ATOM 1670 CG GLU A 103 10.188 12.864 1.306 1.00 0.00 C ATOM 1671 CD GLU A 103 10.107 14.120 0.463 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.565 14.048 -0.660 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.585 15.178 0.924 1.00 0.00 O ATOM 0 H GLU A 103 6.608 10.570 1.206 1.00 0.00 H new ATOM 0 HA GLU A 103 9.112 11.108 -0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.050 12.952 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.734 11.943 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.632 13.107 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.851 12.148 0.821 1.00 0.00 H new ATOM 1680 N TRP A 104 10.453 9.530 1.260 1.00 0.00 N ATOM 1681 CA TRP A 104 11.079 8.370 1.890 1.00 0.00 C ATOM 1682 C TRP A 104 11.177 8.569 3.399 1.00 0.00 C ATOM 1683 O TRP A 104 12.000 9.347 3.882 1.00 0.00 O ATOM 1684 CB TRP A 104 12.480 8.114 1.305 1.00 0.00 C ATOM 1685 CG TRP A 104 12.656 8.610 -0.100 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.705 8.656 -1.080 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.857 9.131 -0.681 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.242 9.173 -2.234 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.561 9.473 -2.015 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.153 9.341 -0.203 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.515 10.014 -2.874 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.098 9.879 -1.057 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.775 10.209 -2.378 1.00 0.00 C ATOM 0 H TRP A 104 11.095 10.139 0.753 1.00 0.00 H new ATOM 0 HA TRP A 104 10.454 7.501 1.686 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.222 8.593 1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.682 7.043 1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.681 8.333 -0.964 1.00 0.00 H new ATOM 0 HE1 TRP A 104 11.740 9.311 -3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.412 9.088 0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.269 10.270 -3.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.103 10.047 -0.698 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.537 10.627 -3.020 1.00 0.00 H new ATOM 1704 N MET A 105 10.332 7.858 4.138 1.00 0.00 N ATOM 1705 CA MET A 105 10.321 7.948 5.595 1.00 0.00 C ATOM 1706 C MET A 105 10.605 6.592 6.229 1.00 0.00 C ATOM 1707 O MET A 105 10.368 5.551 5.619 1.00 0.00 O ATOM 1708 CB MET A 105 8.975 8.484 6.087 1.00 0.00 C ATOM 1709 CG MET A 105 7.787 7.640 5.656 1.00 0.00 C ATOM 1710 SD MET A 105 7.477 6.256 6.769 1.00 0.00 S ATOM 1711 CE MET A 105 7.075 7.125 8.283 1.00 0.00 C ATOM 0 H MET A 105 9.644 7.211 3.752 1.00 0.00 H new ATOM 0 HA MET A 105 11.109 8.639 5.894 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.993 8.542 7.175 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.841 9.500 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.898 8.269 5.608 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.963 7.260 4.650 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.451 6.490 8.912 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.993 7.373 8.815 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.536 8.042 8.044 1.00 0.00 H new ATOM 1721 N SER A 106 11.105 6.609 7.460 1.00 0.00 N ATOM 1722 CA SER A 106 11.410 5.375 8.173 1.00 0.00 C ATOM 1723 C SER A 106 10.125 4.649 8.563 1.00 0.00 C ATOM 1724 O SER A 106 9.336 5.150 9.364 1.00 0.00 O ATOM 1725 CB SER A 106 12.241 5.674 9.422 1.00 0.00 C ATOM 1726 OG SER A 106 12.410 4.509 10.213 1.00 0.00 O ATOM 0 H SER A 106 11.307 7.461 7.983 1.00 0.00 H new ATOM 0 HA SER A 106 11.988 4.731 7.510 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.216 6.063 9.129 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.752 6.450 10.011 1.00 0.00 H new ATOM 0 HG SER A 106 12.946 4.726 11.004 1.00 0.00 H new ATOM 1732 N LEU A 107 9.921 3.467 7.989 1.00 0.00 N ATOM 1733 CA LEU A 107 8.731 2.673 8.275 1.00 0.00 C ATOM 1734 C LEU A 107 8.814 2.025 9.654 1.00 0.00 C ATOM 1735 O LEU A 107 7.800 1.619 10.220 1.00 0.00 O ATOM 1736 CB LEU A 107 8.539 1.601 7.203 1.00 0.00 C ATOM 1737 CG LEU A 107 7.102 1.440 6.701 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.207 0.907 7.809 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.571 2.765 6.176 1.00 0.00 C ATOM 0 H LEU A 107 10.564 3.038 7.323 1.00 0.00 H new ATOM 0 HA LEU A 107 7.872 3.344 8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.180 1.838 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.878 0.645 7.601 1.00 0.00 H new ATOM 0 HG LEU A 107 7.101 0.720 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.189 0.799 7.434 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.577 -0.063 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.213 1.603 8.648 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.548 2.633 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.586 3.506 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.198 3.107 5.353 1.00 0.00 H new ATOM 1751 N VAL A 108 10.027 1.934 10.193 1.00 0.00 N ATOM 1752 CA VAL A 108 10.237 1.339 11.507 1.00 0.00 C ATOM 1753 C VAL A 108 9.420 2.055 12.582 1.00 0.00 C ATOM 1754 O VAL A 108 9.219 1.526 13.675 1.00 0.00 O ATOM 1755 CB VAL A 108 11.725 1.371 11.907 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.965 0.528 13.150 1.00 0.00 C ATOM 1757 CG2 VAL A 108 12.599 0.894 10.756 1.00 0.00 C ATOM 0 H VAL A 108 10.878 2.265 9.739 1.00 0.00 H new ATOM 0 HA VAL A 108 9.906 0.303 11.436 1.00 0.00 H new ATOM 0 HB VAL A 108 11.996 2.401 12.137 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.022 0.564 13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.370 0.919 13.975 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.676 -0.504 12.951 1.00 0.00 H new ATOM 0 HG21 VAL A 108 13.646 0.924 11.058 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.326 -0.128 10.491 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.451 1.544 9.893 1.00 0.00 H new ATOM 1767 N GLY A 109 8.950 3.260 12.267 1.00 0.00 N ATOM 1768 CA GLY A 109 8.163 4.022 13.216 1.00 0.00 C ATOM 1769 C GLY A 109 6.802 4.400 12.667 1.00 0.00 C ATOM 1770 O GLY A 109 6.350 5.533 12.838 1.00 0.00 O ATOM 0 H GLY A 109 9.102 3.721 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.035 3.439 14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.705 4.927 13.490 1.00 0.00 H new ATOM 1774 N LEU A 110 6.146 3.449 12.012 1.00 0.00 N ATOM 1775 CA LEU A 110 4.824 3.687 11.441 1.00 0.00 C ATOM 1776 C LEU A 110 3.827 4.019 12.544 1.00 0.00 C ATOM 1777 O LEU A 110 3.946 3.525 13.664 1.00 0.00 O ATOM 1778 CB LEU A 110 4.357 2.455 10.664 1.00 0.00 C ATOM 1779 CG LEU A 110 3.324 2.731 9.571 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.870 3.727 8.563 1.00 0.00 C ATOM 1781 CD2 LEU A 110 2.923 1.435 8.881 1.00 0.00 C ATOM 0 H LEU A 110 6.507 2.507 11.863 1.00 0.00 H new ATOM 0 HA LEU A 110 4.885 4.533 10.756 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.226 1.980 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.935 1.739 11.369 1.00 0.00 H new ATOM 0 HG LEU A 110 2.437 3.163 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.122 3.912 7.792 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.109 4.663 9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.772 3.322 8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.187 1.648 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.803 0.976 8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.492 0.752 9.613 1.00 0.00 H new ATOM 1793 N ASN A 111 2.853 4.872 12.235 1.00 0.00 N ATOM 1794 CA ASN A 111 1.864 5.271 13.228 1.00 0.00 C ATOM 1795 C ASN A 111 0.438 4.978 12.783 1.00 0.00 C ATOM 1796 O ASN A 111 0.003 5.399 11.711 1.00 0.00 O ATOM 1797 CB ASN A 111 2.017 6.756 13.557 1.00 0.00 C ATOM 1798 CG ASN A 111 2.382 6.993 15.009 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.559 7.027 15.368 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.371 7.159 15.854 1.00 0.00 N ATOM 0 H ASN A 111 2.729 5.295 11.315 1.00 0.00 H new ATOM 0 HA ASN A 111 2.050 4.676 14.122 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.785 7.190 12.917 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.085 7.273 13.331 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.555 7.322 16.844 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.410 7.123 15.513 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.288 4.267 13.642 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.677 3.924 13.379 1.00 0.00 C ATOM 1809 C ALA A 112 -2.575 5.157 13.515 1.00 0.00 C ATOM 1810 O ALA A 112 -3.731 5.145 13.092 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.142 2.820 14.319 1.00 0.00 C ATOM 0 H ALA A 112 0.069 3.917 14.531 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.750 3.559 12.354 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.183 2.577 14.108 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.525 1.933 14.172 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.051 3.159 15.351 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.045 6.214 14.132 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.803 7.446 14.338 1.00 0.00 C ATOM 1819 C ASP A 113 -2.871 8.293 13.065 1.00 0.00 C ATOM 1820 O ASP A 113 -3.947 8.738 12.667 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.180 8.264 15.471 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.204 9.109 16.205 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.289 8.581 16.523 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.919 10.298 16.459 1.00 0.00 O ATOM 0 H ASP A 113 -1.093 6.240 14.497 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.821 7.163 14.606 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.695 7.590 16.178 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.404 8.911 15.064 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.720 8.520 12.432 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.669 9.323 11.210 1.00 0.00 C ATOM 1831 C ASP A 114 -2.386 8.617 10.067 1.00 0.00 C ATOM 1832 O ASP A 114 -3.071 9.247 9.265 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.224 9.640 10.791 1.00 0.00 C ATOM 1834 CG ASP A 114 0.829 9.025 11.696 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.921 9.442 12.869 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.560 8.127 11.228 1.00 0.00 O ATOM 0 H ASP A 114 -0.817 8.162 12.742 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.175 10.263 11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.065 9.285 9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.089 10.722 10.776 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.218 7.305 10.000 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.844 6.504 8.957 1.00 0.00 C ATOM 1843 C PHE A 115 -4.311 6.227 9.306 1.00 0.00 C ATOM 1844 O PHE A 115 -4.762 6.554 10.404 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.055 5.196 8.775 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.717 3.986 9.364 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.234 4.031 10.641 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.820 2.810 8.642 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.843 2.930 11.199 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.429 1.701 9.193 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.940 1.763 10.475 1.00 0.00 C ATOM 0 H PHE A 115 -1.651 6.770 10.658 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.828 7.053 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.897 5.026 7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.071 5.314 9.228 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.160 4.944 11.213 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.421 2.760 7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.243 2.981 12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.506 0.787 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.416 0.896 10.909 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.074 5.606 8.388 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.483 5.282 8.634 1.00 0.00 C ATOM 1863 C PRO A 116 -6.633 4.133 9.632 1.00 0.00 C ATOM 1864 O PRO A 116 -6.028 3.076 9.461 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.996 4.865 7.255 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.791 4.354 6.543 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.628 5.163 7.052 1.00 0.00 C ATOM 0 HA PRO A 116 -7.032 6.118 9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.765 4.097 7.334 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.441 5.708 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.643 3.292 6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.900 4.465 5.464 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.718 4.565 7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.412 6.009 6.400 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.438 4.321 10.695 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.649 3.291 11.724 1.00 0.00 C ATOM 1877 C PRO A 117 -8.306 2.024 11.177 1.00 0.00 C ATOM 1878 O PRO A 117 -8.304 0.983 11.834 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.573 3.973 12.739 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.216 5.089 11.989 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.198 5.549 10.987 1.00 0.00 C ATOM 0 HA PRO A 117 -6.702 2.954 12.145 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.318 3.277 13.125 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.011 4.346 13.596 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.127 4.753 11.494 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.498 5.900 12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.669 5.954 10.091 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.558 6.332 11.393 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.869 2.117 9.978 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.532 0.976 9.354 1.00 0.00 C ATOM 1891 C ALA A 118 -8.536 -0.086 8.899 1.00 0.00 C ATOM 1892 O ALA A 118 -8.928 -1.180 8.493 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.381 1.440 8.181 1.00 0.00 C ATOM 0 H ALA A 118 -8.880 2.970 9.418 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.175 0.519 10.106 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.871 0.580 7.724 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.136 2.142 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.746 1.931 7.444 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.252 0.244 8.947 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.211 -0.678 8.517 1.00 0.00 C ATOM 1901 C ASN A 119 -5.218 -0.967 9.644 1.00 0.00 C ATOM 1902 O ASN A 119 -4.030 -1.174 9.397 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.486 -0.074 7.318 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.994 -0.613 5.996 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.217 -1.070 5.159 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.306 -0.553 5.797 1.00 0.00 N ATOM 0 H ASN A 119 -6.907 1.144 9.280 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.672 -1.626 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.605 1.009 7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.419 -0.278 7.403 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.705 -0.894 4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.914 -0.166 6.519 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.705 -0.967 10.882 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.850 -1.214 12.043 1.00 0.00 C ATOM 1915 C GLU A 120 -4.451 -2.686 12.163 1.00 0.00 C ATOM 1916 O GLU A 120 -3.280 -2.995 12.382 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.545 -0.748 13.326 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.845 0.418 14.005 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.371 0.680 15.402 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.592 0.520 15.616 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.564 1.045 16.282 1.00 0.00 O ATOM 0 H GLU A 120 -6.685 -0.799 11.108 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.936 -0.639 11.899 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.569 -0.459 13.091 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.601 -1.584 14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.775 0.215 14.056 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.971 1.315 13.399 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.410 -3.620 12.029 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.127 -5.056 12.134 1.00 0.00 C ATOM 1930 C PRO A 121 -3.876 -5.463 11.362 1.00 0.00 C ATOM 1931 O PRO A 121 -3.127 -6.341 11.792 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.372 -5.696 11.526 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.468 -4.727 11.812 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.840 -3.357 11.771 1.00 0.00 C ATOM 0 HA PRO A 121 -4.929 -5.364 13.161 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.253 -5.856 10.454 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.576 -6.669 11.972 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.265 -4.812 11.073 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.915 -4.921 12.787 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.991 -2.876 10.805 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.268 -2.697 12.526 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.648 -4.811 10.230 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.480 -5.092 9.408 1.00 0.00 C ATOM 1944 C VAL A 122 -1.245 -4.449 10.017 1.00 0.00 C ATOM 1945 O VAL A 122 -0.178 -5.060 10.084 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.651 -4.574 7.967 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.552 -5.123 7.072 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.023 -4.937 7.418 1.00 0.00 C ATOM 0 H VAL A 122 -4.258 -4.082 9.860 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.365 -6.175 9.374 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.572 -3.487 7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.687 -4.748 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.581 -4.804 7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.598 -6.212 7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.119 -4.560 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.139 -6.021 7.416 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.795 -4.490 8.044 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.403 -3.208 10.464 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.308 -2.473 11.073 1.00 0.00 C ATOM 1960 C ILE A 123 0.085 -3.091 12.405 1.00 0.00 C ATOM 1961 O ILE A 123 1.252 -3.098 12.769 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.666 -0.993 11.296 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.101 -0.349 9.982 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.521 -0.245 11.884 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.047 -0.081 9.035 1.00 0.00 C ATOM 0 H ILE A 123 -2.281 -2.692 10.414 1.00 0.00 H new ATOM 0 HA ILE A 123 0.531 -2.530 10.379 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.495 -0.938 12.001 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.824 -0.999 9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.611 0.590 10.198 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.253 0.801 12.036 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.796 -0.692 12.839 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.366 -0.307 11.198 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.334 0.377 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.760 0.593 9.509 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.543 -1.020 8.790 1.00 0.00 H new ATOM 1977 N ALA A 124 -0.892 -3.619 13.130 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.614 -4.241 14.417 1.00 0.00 C ATOM 1979 C ALA A 124 0.456 -5.317 14.269 1.00 0.00 C ATOM 1980 O ALA A 124 1.184 -5.621 15.214 1.00 0.00 O ATOM 1981 CB ALA A 124 -1.885 -4.831 15.009 1.00 0.00 C ATOM 0 H ALA A 124 -1.874 -3.629 12.853 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.241 -3.475 15.097 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.659 -5.292 15.971 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.622 -4.040 15.150 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.286 -5.584 14.331 1.00 0.00 H new ATOM 1987 N LYS A 125 0.546 -5.887 13.070 1.00 0.00 N ATOM 1988 CA LYS A 125 1.530 -6.931 12.791 1.00 0.00 C ATOM 1989 C LYS A 125 2.918 -6.343 12.517 1.00 0.00 C ATOM 1990 O LYS A 125 3.904 -6.752 13.130 1.00 0.00 O ATOM 1991 CB LYS A 125 1.076 -7.776 11.599 1.00 0.00 C ATOM 1992 CG LYS A 125 1.100 -9.271 11.870 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.234 -9.761 12.411 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.283 -9.679 13.927 1.00 0.00 C ATOM 1995 NZ LYS A 125 -0.900 -8.408 14.395 1.00 0.00 N ATOM 0 H LYS A 125 -0.049 -5.645 12.277 1.00 0.00 H new ATOM 0 HA LYS A 125 1.604 -7.562 13.677 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.064 -7.482 11.320 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.718 -7.559 10.745 1.00 0.00 H new ATOM 0 HG2 LYS A 125 1.339 -9.805 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.890 -9.499 12.585 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.041 -9.164 11.987 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -0.400 -10.791 12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.851 -10.523 14.318 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.727 -9.761 14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.261 -7.939 15.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.065 -7.782 13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.806 -8.613 14.863 1.00 0.00 H new ATOM 2009 N LEU A 126 2.991 -5.395 11.583 1.00 0.00 N ATOM 2010 CA LEU A 126 4.261 -4.768 11.216 1.00 0.00 C ATOM 2011 C LEU A 126 4.687 -3.719 12.245 1.00 0.00 C ATOM 2012 O LEU A 126 5.877 -3.524 12.488 1.00 0.00 O ATOM 2013 CB LEU A 126 4.152 -4.143 9.815 1.00 0.00 C ATOM 2014 CG LEU A 126 4.564 -2.672 9.695 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.831 -2.310 8.241 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.492 -1.767 10.286 1.00 0.00 C ATOM 0 H LEU A 126 2.185 -5.044 11.066 1.00 0.00 H new ATOM 0 HA LEU A 126 5.030 -5.540 11.201 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.767 -4.728 9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.120 -4.238 9.477 1.00 0.00 H new ATOM 0 HG LEU A 126 5.485 -2.525 10.259 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.122 -1.262 8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.635 -2.935 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.927 -2.473 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.802 -0.726 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.554 -1.916 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.351 -2.010 11.339 1.00 0.00 H new ATOM 2028 N LYS A 127 3.710 -3.044 12.835 1.00 0.00 N ATOM 2029 CA LYS A 127 3.976 -2.010 13.832 1.00 0.00 C ATOM 2030 C LYS A 127 4.859 -2.542 14.948 1.00 0.00 C ATOM 2031 O LYS A 127 5.798 -1.877 15.384 1.00 0.00 O ATOM 2032 CB LYS A 127 2.667 -1.509 14.416 1.00 0.00 C ATOM 2033 CG LYS A 127 2.826 -0.314 15.337 1.00 0.00 C ATOM 2034 CD LYS A 127 1.534 0.478 15.452 1.00 0.00 C ATOM 2035 CE LYS A 127 0.422 -0.358 16.066 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.425 -1.005 15.026 1.00 0.00 N ATOM 0 H LYS A 127 2.720 -3.193 12.641 1.00 0.00 H new ATOM 0 HA LYS A 127 4.498 -1.189 13.340 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.995 -1.241 13.601 1.00 0.00 H new ATOM 0 HB3 LYS A 127 2.192 -2.320 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 127 3.134 -0.654 16.326 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.618 0.333 14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.703 1.365 16.062 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.228 0.823 14.464 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.856 -1.124 16.709 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.200 0.274 16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.248 -1.453 15.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -0.750 -0.287 14.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.131 -1.728 14.526 1.00 0.00 H new ATOM 2050 N ARG A 128 4.562 -3.757 15.391 1.00 0.00 N ATOM 2051 CA ARG A 128 5.345 -4.390 16.439 1.00 0.00 C ATOM 2052 C ARG A 128 6.730 -4.744 15.909 1.00 0.00 C ATOM 2053 O ARG A 128 7.612 -5.152 16.665 1.00 0.00 O ATOM 2054 CB ARG A 128 4.638 -5.648 16.949 1.00 0.00 C ATOM 2055 CG ARG A 128 5.416 -6.392 18.021 1.00 0.00 C ATOM 2056 CD ARG A 128 4.563 -7.456 18.692 1.00 0.00 C ATOM 2057 NE ARG A 128 5.296 -8.171 19.734 1.00 0.00 N ATOM 2058 CZ ARG A 128 4.829 -9.244 20.366 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.630 -9.730 20.068 1.00 0.00 N ATOM 2060 NH2 ARG A 128 5.561 -9.835 21.301 1.00 0.00 N ATOM 0 H ARG A 128 3.787 -4.320 15.041 1.00 0.00 H new ATOM 0 HA ARG A 128 5.449 -3.692 17.269 1.00 0.00 H new ATOM 0 HB2 ARG A 128 3.662 -5.370 17.347 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.460 -6.320 16.109 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.296 -6.857 17.577 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.773 -5.685 18.770 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.678 -6.990 19.126 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.214 -8.166 17.942 1.00 0.00 H new ATOM 0 HE ARG A 128 6.221 -7.827 19.992 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.061 -9.280 19.351 1.00 0.00 H new ATOM 0 HH12 ARG A 128 3.278 -10.553 20.556 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.483 -9.467 21.536 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.202 -10.658 21.785 1.00 0.00 H new ATOM 2074 N LEU A 129 6.914 -4.577 14.597 1.00 0.00 N ATOM 2075 CA LEU A 129 8.191 -4.868 13.955 1.00 0.00 C ATOM 2076 C LEU A 129 8.742 -6.220 14.402 1.00 0.00 C ATOM 2077 O LEU A 129 8.037 -7.229 14.373 1.00 0.00 O ATOM 2078 CB LEU A 129 9.200 -3.763 14.266 1.00 0.00 C ATOM 2079 CG LEU A 129 8.615 -2.348 14.337 1.00 0.00 C ATOM 2080 CD1 LEU A 129 8.507 -1.885 15.782 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.459 -1.376 13.527 1.00 0.00 C ATOM 0 H LEU A 129 6.191 -4.241 13.961 1.00 0.00 H new ATOM 0 HA LEU A 129 8.024 -4.911 12.879 1.00 0.00 H new ATOM 0 HB2 LEU A 129 9.680 -3.989 15.218 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.979 -3.779 13.504 1.00 0.00 H new ATOM 0 HG LEU A 129 7.613 -2.371 13.908 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.090 -0.878 15.811 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.857 -2.564 16.334 1.00 0.00 H new ATOM 0 HD13 LEU A 129 9.497 -1.881 16.238 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.026 -0.378 13.591 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.474 -1.358 13.924 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.482 -1.695 12.485 1.00 0.00 H new