USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 569 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 67 CYS SG : rot -122:sc= -0.692 USER MOD Set 1.2: A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 34 SER OG : rot 89:sc= 0.868! USER MOD Set 3.2: A 41 TYR OH : rot -132:sc= -0.278 USER MOD Set 4.1: A 18 HIS : no HE2:sc= -4.35 K(o=-4.7,f=-6!) USER MOD Set 4.2: A 23 SER OG : rot 74:sc= -0.372 USER MOD Set 5.1: A 11 ASN :FLIP amide:sc= -2.85! C(o=-6.6!,f=-6.5!) USER MOD Set 5.2: A 54 ASN : amide:sc= -3.68! C(o=-6.5!,f=-6.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.242 (180deg=-0.999) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot -16:sc= 0.332 USER MOD Single : A 6 TYR OH : rot -21:sc= -1.27 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 2:sc= 0.565! USER MOD Single : A 17 TYR OH : rot -78:sc= 1.24 USER MOD Single : A 19 TYR OH : rot 0:sc= -0.902 USER MOD Single : A 28 LYS NZ :NH3+ -158:sc= -0.025 (180deg=-0.319) USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= -2.19 (180deg=-4.26!) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 38 HIS : no HD1:sc= -2.3! C(o=-2.3!,f=-3.3!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.597 F(o=-2.7!,f=-0.6) USER MOD Single : A 47 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.1!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0576 USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= 0.168 (180deg=-0.306) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -6:sc= -0.177 USER MOD Single : A 60 GLN : amide:sc= -2.07 X(o=-2.1,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ -109:sc= -0.233 (180deg=-1.68) USER MOD Single : A 68 TYR OH : rot -175:sc= -7.76! USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -166:sc= -0.013 (180deg=-0.248) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.575 -21.247 -20.169 1.00 0.00 N ATOM 2 CA MET A 1 -4.140 -21.013 -19.880 1.00 0.00 C ATOM 3 C MET A 1 -3.991 -20.067 -18.697 1.00 0.00 C ATOM 4 O MET A 1 -3.022 -20.131 -17.967 1.00 0.00 O ATOM 5 CB MET A 1 -3.456 -20.377 -21.102 1.00 0.00 C ATOM 6 CG MET A 1 -3.473 -21.374 -22.263 1.00 0.00 C ATOM 7 SD MET A 1 -2.437 -22.850 -22.107 1.00 0.00 S ATOM 8 CE MET A 1 -2.809 -23.559 -23.731 1.00 0.00 C ATOM 0 H1 MET A 1 -5.684 -22.146 -20.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.107 -21.289 -19.276 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.943 -20.470 -20.754 1.00 0.00 H new ATOM 0 HA MET A 1 -3.675 -21.971 -19.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.972 -19.460 -21.387 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.430 -20.102 -20.858 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.503 -21.699 -22.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.171 -20.844 -23.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.265 -24.495 -23.853 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.880 -23.749 -23.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.507 -22.860 -24.511 1.00 0.00 H new ATOM 20 N LYS A 2 -4.955 -19.203 -18.526 1.00 0.00 N ATOM 21 CA LYS A 2 -4.880 -18.249 -17.393 1.00 0.00 C ATOM 22 C LYS A 2 -6.191 -17.485 -17.231 1.00 0.00 C ATOM 23 O LYS A 2 -6.220 -16.273 -17.304 1.00 0.00 O ATOM 24 CB LYS A 2 -3.752 -17.246 -17.683 1.00 0.00 C ATOM 25 CG LYS A 2 -3.411 -16.489 -16.397 1.00 0.00 C ATOM 26 CD LYS A 2 -2.549 -15.267 -16.740 1.00 0.00 C ATOM 27 CE LYS A 2 -1.201 -15.734 -17.303 1.00 0.00 C ATOM 28 NZ LYS A 2 -0.206 -14.626 -17.253 1.00 0.00 N ATOM 0 H LYS A 2 -5.782 -19.120 -19.118 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.689 -18.803 -16.474 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.871 -17.768 -18.056 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.061 -16.547 -18.460 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.325 -16.174 -15.894 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.877 -17.143 -15.707 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.062 -14.640 -17.469 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.392 -14.658 -15.850 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.835 -16.586 -16.729 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.327 -16.072 -18.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.702 -14.957 -17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.550 -13.825 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.074 -14.322 -16.267 1.00 0.00 H new ATOM 42 N GLU A 3 -7.258 -18.213 -17.015 1.00 0.00 N ATOM 43 CA GLU A 3 -8.581 -17.547 -16.843 1.00 0.00 C ATOM 44 C GLU A 3 -8.762 -17.084 -15.403 1.00 0.00 C ATOM 45 O GLU A 3 -9.489 -17.691 -14.642 1.00 0.00 O ATOM 46 CB GLU A 3 -9.681 -18.568 -17.172 1.00 0.00 C ATOM 47 CG GLU A 3 -9.476 -19.089 -18.595 1.00 0.00 C ATOM 48 CD GLU A 3 -10.629 -20.024 -18.964 1.00 0.00 C ATOM 49 OE1 GLU A 3 -11.743 -19.678 -18.601 1.00 0.00 O ATOM 50 OE2 GLU A 3 -10.333 -21.031 -19.585 1.00 0.00 O ATOM 0 H GLU A 3 -7.269 -19.231 -16.951 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.637 -16.682 -17.503 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.651 -19.394 -16.462 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -10.663 -18.104 -17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -9.430 -18.256 -19.296 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.526 -19.619 -18.667 1.00 0.00 H new ATOM 57 N THR A 4 -8.102 -16.013 -15.055 1.00 0.00 N ATOM 58 CA THR A 4 -8.225 -15.499 -13.667 1.00 0.00 C ATOM 59 C THR A 4 -7.685 -14.077 -13.566 1.00 0.00 C ATOM 60 O THR A 4 -6.647 -13.770 -14.110 1.00 0.00 O ATOM 61 CB THR A 4 -7.387 -16.413 -12.749 1.00 0.00 C ATOM 62 OG1 THR A 4 -8.037 -17.666 -12.776 1.00 0.00 O ATOM 63 CG2 THR A 4 -7.469 -15.974 -11.276 1.00 0.00 C ATOM 0 H THR A 4 -7.488 -15.477 -15.668 1.00 0.00 H new ATOM 0 HA THR A 4 -9.275 -15.493 -13.374 1.00 0.00 H new ATOM 0 HB THR A 4 -6.350 -16.403 -13.085 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.943 -17.557 -13.133 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.865 -16.643 -10.663 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.094 -14.955 -11.179 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.506 -16.012 -10.942 1.00 0.00 H new ATOM 71 N ARG A 5 -8.416 -13.219 -12.888 1.00 0.00 N ATOM 72 CA ARG A 5 -7.948 -11.804 -12.743 1.00 0.00 C ATOM 73 C ARG A 5 -7.185 -11.670 -11.437 1.00 0.00 C ATOM 74 O ARG A 5 -7.157 -12.588 -10.642 1.00 0.00 O ATOM 75 CB ARG A 5 -9.175 -10.845 -12.741 1.00 0.00 C ATOM 76 CG ARG A 5 -10.292 -11.435 -13.613 1.00 0.00 C ATOM 77 CD ARG A 5 -9.768 -11.638 -15.038 1.00 0.00 C ATOM 78 NE ARG A 5 -10.923 -11.865 -15.950 1.00 0.00 N ATOM 79 CZ ARG A 5 -10.744 -11.800 -17.240 1.00 0.00 C ATOM 80 NH1 ARG A 5 -9.958 -12.669 -17.812 1.00 0.00 N ATOM 81 NH2 ARG A 5 -11.356 -10.866 -17.915 1.00 0.00 N ATOM 0 H ARG A 5 -9.304 -13.435 -12.435 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.296 -11.541 -13.576 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.534 -10.700 -11.722 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.884 -9.865 -13.119 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.629 -12.385 -13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.153 -10.767 -13.622 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.201 -10.764 -15.359 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.088 -12.489 -15.072 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.847 -12.070 -15.569 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -9.495 -13.384 -17.251 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.806 -12.633 -18.820 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.962 -10.202 -17.433 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.228 -10.799 -18.925 1.00 0.00 H new ATOM 95 N TYR A 6 -6.578 -10.537 -11.227 1.00 0.00 N ATOM 96 CA TYR A 6 -5.806 -10.348 -9.961 1.00 0.00 C ATOM 97 C TYR A 6 -5.718 -8.871 -9.585 1.00 0.00 C ATOM 98 O TYR A 6 -6.230 -8.024 -10.287 1.00 0.00 O ATOM 99 CB TYR A 6 -4.367 -10.884 -10.209 1.00 0.00 C ATOM 100 CG TYR A 6 -4.411 -12.090 -11.157 1.00 0.00 C ATOM 101 CD1 TYR A 6 -4.599 -13.363 -10.663 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.239 -11.921 -12.517 1.00 0.00 C ATOM 103 CE1 TYR A 6 -4.611 -14.447 -11.508 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.248 -13.008 -13.362 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.433 -14.279 -12.864 1.00 0.00 C ATOM 106 OH TYR A 6 -4.423 -15.367 -13.709 1.00 0.00 O ATOM 0 H TYR A 6 -6.580 -9.741 -11.865 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.304 -10.878 -9.149 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.746 -10.097 -10.637 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.909 -11.172 -9.263 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.738 -13.510 -9.602 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.096 -10.929 -12.920 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.761 -15.438 -11.106 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.109 -12.863 -14.423 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.218 -16.177 -13.197 1.00 0.00 H new ATOM 116 N CYS A 7 -5.066 -8.579 -8.466 1.00 0.00 N ATOM 117 CA CYS A 7 -4.946 -7.155 -8.054 1.00 0.00 C ATOM 118 C CYS A 7 -4.468 -6.378 -9.235 1.00 0.00 C ATOM 119 O CYS A 7 -3.490 -6.750 -9.854 1.00 0.00 O ATOM 120 CB CYS A 7 -3.915 -7.038 -6.902 1.00 0.00 C ATOM 121 SG CYS A 7 -3.201 -5.440 -6.545 1.00 0.00 S ATOM 0 H CYS A 7 -4.627 -9.258 -7.844 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.906 -6.772 -7.709 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.396 -7.396 -5.991 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.096 -7.724 -7.121 1.00 0.00 H new ATOM 126 N ALA A 8 -5.161 -5.330 -9.554 1.00 0.00 N ATOM 127 CA ALA A 8 -4.749 -4.518 -10.713 1.00 0.00 C ATOM 128 C ALA A 8 -3.227 -4.417 -10.820 1.00 0.00 C ATOM 129 O ALA A 8 -2.699 -4.486 -11.905 1.00 0.00 O ATOM 130 CB ALA A 8 -5.356 -3.101 -10.573 1.00 0.00 C ATOM 0 H ALA A 8 -5.993 -5.003 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.113 -5.002 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.057 -2.491 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.443 -3.172 -10.541 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.996 -2.640 -9.653 1.00 0.00 H new ATOM 136 N VAL A 9 -2.536 -4.337 -9.682 1.00 0.00 N ATOM 137 CA VAL A 9 -1.039 -4.231 -9.764 1.00 0.00 C ATOM 138 C VAL A 9 -0.295 -4.434 -8.423 1.00 0.00 C ATOM 139 O VAL A 9 0.836 -4.878 -8.417 1.00 0.00 O ATOM 140 CB VAL A 9 -0.733 -2.741 -10.157 1.00 0.00 C ATOM 141 CG1 VAL A 9 0.763 -2.406 -9.872 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.043 -2.482 -11.651 1.00 0.00 C ATOM 0 H VAL A 9 -2.934 -4.341 -8.743 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.708 -5.003 -10.458 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.373 -2.098 -9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.963 -1.371 -10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.971 -2.545 -8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.402 -3.068 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.822 -1.443 -11.894 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.429 -3.138 -12.269 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.097 -2.683 -11.844 1.00 0.00 H new ATOM 152 N CYS A 10 -0.929 -4.116 -7.331 1.00 0.00 N ATOM 153 CA CYS A 10 -0.212 -4.277 -5.984 1.00 0.00 C ATOM 154 C CYS A 10 -0.331 -5.627 -5.214 1.00 0.00 C ATOM 155 O CYS A 10 -0.021 -5.654 -4.039 1.00 0.00 O ATOM 156 CB CYS A 10 -0.621 -3.069 -5.042 1.00 0.00 C ATOM 157 SG CYS A 10 -2.359 -2.499 -5.009 1.00 0.00 S ATOM 0 H CYS A 10 -1.884 -3.760 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 10 0.842 -4.278 -6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.348 -3.343 -4.023 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.003 -2.215 -5.319 1.00 0.00 H new ATOM 162 N ASN A 11 -0.756 -6.717 -5.821 1.00 0.00 N ATOM 163 CA ASN A 11 -0.823 -7.961 -5.000 1.00 0.00 C ATOM 164 C ASN A 11 -1.046 -9.206 -5.850 1.00 0.00 C ATOM 165 O ASN A 11 -0.113 -9.724 -6.432 1.00 0.00 O ATOM 166 CB ASN A 11 -1.934 -7.814 -3.932 1.00 0.00 C ATOM 167 CG ASN A 11 -2.317 -9.185 -3.343 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.416 -9.872 -2.697 1.00 0.00 O flip ATOM 169 ND2 ASN A 11 -3.440 -9.635 -3.468 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.044 -6.795 -6.796 1.00 0.00 H new ATOM 0 HA ASN A 11 0.141 -8.092 -4.508 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.592 -7.154 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.812 -7.347 -4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.149 -9.103 -3.972 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.672 -10.544 -3.069 1.00 0.00 H new ATOM 176 N ASP A 12 -2.268 -9.639 -5.939 1.00 0.00 N ATOM 177 CA ASP A 12 -2.557 -10.855 -6.746 1.00 0.00 C ATOM 178 C ASP A 12 -4.048 -11.168 -6.734 1.00 0.00 C ATOM 179 O ASP A 12 -4.866 -10.286 -6.592 1.00 0.00 O ATOM 180 CB ASP A 12 -1.805 -12.073 -6.126 1.00 0.00 C ATOM 181 CG ASP A 12 -1.604 -13.145 -7.201 1.00 0.00 C ATOM 182 OD1 ASP A 12 -2.304 -13.051 -8.196 1.00 0.00 O ATOM 183 OD2 ASP A 12 -0.763 -13.997 -6.967 1.00 0.00 O ATOM 0 H ASP A 12 -3.077 -9.208 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.230 -10.673 -7.770 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.841 -11.756 -5.728 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.376 -12.481 -5.292 1.00 0.00 H new ATOM 188 N TYR A 13 -4.360 -12.446 -6.860 1.00 0.00 N ATOM 189 CA TYR A 13 -5.789 -12.879 -6.866 1.00 0.00 C ATOM 190 C TYR A 13 -6.676 -11.983 -6.026 1.00 0.00 C ATOM 191 O TYR A 13 -6.708 -12.067 -4.814 1.00 0.00 O ATOM 192 CB TYR A 13 -5.888 -14.285 -6.315 1.00 0.00 C ATOM 193 CG TYR A 13 -4.917 -15.215 -7.060 1.00 0.00 C ATOM 194 CD1 TYR A 13 -5.309 -15.862 -8.217 1.00 0.00 C ATOM 195 CD2 TYR A 13 -3.654 -15.453 -6.558 1.00 0.00 C ATOM 196 CE1 TYR A 13 -4.457 -16.737 -8.854 1.00 0.00 C ATOM 197 CE2 TYR A 13 -2.798 -16.327 -7.200 1.00 0.00 C ATOM 198 CZ TYR A 13 -3.193 -16.975 -8.353 1.00 0.00 C ATOM 199 OH TYR A 13 -2.338 -17.848 -8.995 1.00 0.00 O ATOM 0 H TYR A 13 -3.681 -13.201 -6.958 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.132 -12.826 -7.899 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.657 -14.283 -5.250 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.909 -14.654 -6.419 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.292 -15.680 -8.625 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.332 -14.952 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.781 -17.241 -9.753 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.812 -16.505 -6.797 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.490 -17.895 -8.506 1.00 0.00 H new ATOM 209 N ALA A 14 -7.370 -11.146 -6.703 1.00 0.00 N ATOM 210 CA ALA A 14 -8.281 -10.208 -6.024 1.00 0.00 C ATOM 211 C ALA A 14 -9.455 -10.949 -5.395 1.00 0.00 C ATOM 212 O ALA A 14 -9.961 -11.905 -5.949 1.00 0.00 O ATOM 213 CB ALA A 14 -8.796 -9.208 -7.081 1.00 0.00 C ATOM 0 H ALA A 14 -7.349 -11.065 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.751 -9.690 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.475 -8.498 -6.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.953 -8.671 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.324 -9.749 -7.866 1.00 0.00 H new ATOM 219 N SER A 15 -9.863 -10.490 -4.246 1.00 0.00 N ATOM 220 CA SER A 15 -11.001 -11.150 -3.558 1.00 0.00 C ATOM 221 C SER A 15 -12.325 -10.847 -4.255 1.00 0.00 C ATOM 222 O SER A 15 -13.337 -11.439 -3.940 1.00 0.00 O ATOM 223 CB SER A 15 -11.069 -10.620 -2.117 1.00 0.00 C ATOM 224 OG SER A 15 -12.302 -11.124 -1.621 1.00 0.00 O ATOM 0 H SER A 15 -9.459 -9.691 -3.757 1.00 0.00 H new ATOM 0 HA SER A 15 -10.843 -12.228 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.226 -10.972 -1.522 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.044 -9.531 -2.091 1.00 0.00 H new ATOM 0 HG SER A 15 -12.726 -11.682 -2.306 1.00 0.00 H new ATOM 230 N GLY A 16 -12.298 -9.932 -5.189 1.00 0.00 N ATOM 231 CA GLY A 16 -13.566 -9.595 -5.906 1.00 0.00 C ATOM 232 C GLY A 16 -13.446 -8.259 -6.643 1.00 0.00 C ATOM 233 O GLY A 16 -12.411 -7.623 -6.630 1.00 0.00 O ATOM 0 H GLY A 16 -11.471 -9.412 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.806 -10.385 -6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.389 -9.547 -5.193 1.00 0.00 H new ATOM 237 N TYR A 17 -14.524 -7.868 -7.273 1.00 0.00 N ATOM 238 CA TYR A 17 -14.528 -6.579 -8.028 1.00 0.00 C ATOM 239 C TYR A 17 -14.862 -5.395 -7.117 1.00 0.00 C ATOM 240 O TYR A 17 -15.990 -5.240 -6.694 1.00 0.00 O ATOM 241 CB TYR A 17 -15.613 -6.685 -9.143 1.00 0.00 C ATOM 242 CG TYR A 17 -15.166 -5.897 -10.383 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.018 -6.247 -11.057 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.906 -4.821 -10.836 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.613 -5.535 -12.167 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.501 -4.109 -11.946 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.351 -4.460 -12.620 1.00 0.00 C ATOM 248 OH TYR A 17 -13.944 -3.750 -13.730 1.00 0.00 O ATOM 0 H TYR A 17 -15.402 -8.386 -7.297 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.537 -6.408 -8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.777 -7.730 -9.405 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.563 -6.296 -8.777 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.430 -7.085 -10.714 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.809 -4.535 -10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.710 -5.821 -12.686 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.089 -3.271 -12.289 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.219 -3.140 -13.480 1.00 0.00 H new ATOM 258 N HIS A 18 -13.864 -4.576 -6.834 1.00 0.00 N ATOM 259 CA HIS A 18 -14.096 -3.383 -5.949 1.00 0.00 C ATOM 260 C HIS A 18 -13.659 -2.099 -6.660 1.00 0.00 C ATOM 261 O HIS A 18 -12.751 -2.113 -7.463 1.00 0.00 O ATOM 262 CB HIS A 18 -13.253 -3.536 -4.643 1.00 0.00 C ATOM 263 CG HIS A 18 -13.035 -5.015 -4.318 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.945 -5.506 -3.945 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.925 -6.071 -4.345 1.00 0.00 C ATOM 266 CE1 HIS A 18 -12.045 -6.752 -3.735 1.00 0.00 C ATOM 267 NE2 HIS A 18 -13.279 -7.208 -3.965 1.00 0.00 N ATOM 0 H HIS A 18 -12.909 -4.683 -7.176 1.00 0.00 H new ATOM 0 HA HIS A 18 -15.159 -3.325 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.291 -3.038 -4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.764 -3.046 -3.814 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -11.085 -4.971 -3.825 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.967 -6.005 -4.623 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.225 -7.374 -3.407 1.00 0.00 H new ATOM 275 N TYR A 19 -14.343 -1.022 -6.360 1.00 0.00 N ATOM 276 CA TYR A 19 -14.007 0.298 -6.988 1.00 0.00 C ATOM 277 C TYR A 19 -14.082 0.243 -8.529 1.00 0.00 C ATOM 278 O TYR A 19 -14.027 1.270 -9.176 1.00 0.00 O ATOM 279 CB TYR A 19 -12.562 0.666 -6.569 1.00 0.00 C ATOM 280 CG TYR A 19 -12.408 0.719 -5.003 1.00 0.00 C ATOM 281 CD1 TYR A 19 -13.519 0.636 -4.137 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.131 0.782 -4.421 1.00 0.00 C ATOM 283 CE1 TYR A 19 -13.344 0.614 -2.773 1.00 0.00 C ATOM 284 CE2 TYR A 19 -10.995 0.753 -3.048 1.00 0.00 C ATOM 285 CZ TYR A 19 -12.090 0.672 -2.224 1.00 0.00 C ATOM 286 OH TYR A 19 -11.930 0.652 -0.855 1.00 0.00 O ATOM 0 H TYR A 19 -15.124 -0.999 -5.704 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.730 1.040 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.866 -0.066 -6.979 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.294 1.633 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.516 0.589 -4.549 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -10.255 0.853 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -14.206 0.550 -2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -10.007 0.795 -2.613 1.00 0.00 H new ATOM 0 HH TYR A 19 -12.808 0.595 -0.424 1.00 0.00 H new ATOM 296 N GLY A 20 -14.210 -0.952 -9.093 1.00 0.00 N ATOM 297 CA GLY A 20 -14.292 -1.067 -10.604 1.00 0.00 C ATOM 298 C GLY A 20 -13.176 -1.963 -11.173 1.00 0.00 C ATOM 299 O GLY A 20 -12.936 -1.963 -12.363 1.00 0.00 O ATOM 0 H GLY A 20 -14.260 -1.835 -8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.263 -1.474 -10.885 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.222 -0.074 -11.048 1.00 0.00 H new ATOM 303 N VAL A 21 -12.519 -2.709 -10.321 1.00 0.00 N ATOM 304 CA VAL A 21 -11.422 -3.601 -10.826 1.00 0.00 C ATOM 305 C VAL A 21 -11.269 -4.821 -9.966 1.00 0.00 C ATOM 306 O VAL A 21 -11.703 -4.854 -8.832 1.00 0.00 O ATOM 307 CB VAL A 21 -10.045 -2.857 -10.740 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.929 -1.769 -11.830 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.894 -2.228 -9.345 1.00 0.00 C ATOM 0 H VAL A 21 -12.687 -2.742 -9.316 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.687 -3.872 -11.848 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.247 -3.580 -10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.963 -1.270 -11.745 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.014 -2.230 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.727 -1.038 -11.701 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.937 -1.710 -9.281 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.704 -1.518 -9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.934 -3.010 -8.587 1.00 0.00 H new ATOM 319 N TRP A 22 -10.653 -5.810 -10.526 1.00 0.00 N ATOM 320 CA TRP A 22 -10.446 -7.041 -9.750 1.00 0.00 C ATOM 321 C TRP A 22 -9.347 -6.675 -8.801 1.00 0.00 C ATOM 322 O TRP A 22 -8.196 -7.003 -9.011 1.00 0.00 O ATOM 323 CB TRP A 22 -9.976 -8.172 -10.688 1.00 0.00 C ATOM 324 CG TRP A 22 -11.120 -8.567 -11.611 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.204 -8.201 -12.872 1.00 0.00 C ATOM 326 CD2 TRP A 22 -12.158 -9.276 -11.251 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.375 -8.726 -13.279 1.00 0.00 N ATOM 328 CE2 TRP A 22 -13.047 -9.434 -12.297 1.00 0.00 C ATOM 329 CE3 TRP A 22 -12.430 -9.845 -10.023 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -14.206 -10.159 -12.114 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -13.590 -10.571 -9.841 1.00 0.00 C ATOM 332 CH2 TRP A 22 -14.478 -10.727 -10.886 1.00 0.00 C ATOM 0 H TRP A 22 -10.288 -5.818 -11.478 1.00 0.00 H new ATOM 0 HA TRP A 22 -11.347 -7.391 -9.246 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.118 -7.842 -11.274 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.651 -9.033 -10.104 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.499 -7.617 -13.446 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.735 -8.612 -14.227 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -11.736 -9.722 -9.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.901 -10.282 -12.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -13.803 -11.017 -8.881 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -15.386 -11.294 -10.743 1.00 0.00 H new ATOM 343 N SER A 23 -9.723 -5.959 -7.770 1.00 0.00 N ATOM 344 CA SER A 23 -8.728 -5.518 -6.768 1.00 0.00 C ATOM 345 C SER A 23 -8.596 -6.402 -5.564 1.00 0.00 C ATOM 346 O SER A 23 -9.457 -7.176 -5.203 1.00 0.00 O ATOM 347 CB SER A 23 -9.136 -4.097 -6.286 1.00 0.00 C ATOM 348 OG SER A 23 -10.526 -4.023 -6.562 1.00 0.00 O ATOM 0 H SER A 23 -10.682 -5.664 -7.586 1.00 0.00 H new ATOM 0 HA SER A 23 -7.759 -5.548 -7.266 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.933 -3.963 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.583 -3.322 -6.816 1.00 0.00 H new ATOM 0 HG SER A 23 -11.018 -4.565 -5.911 1.00 0.00 H new ATOM 354 N CYS A 24 -7.492 -6.204 -4.977 1.00 0.00 N ATOM 355 CA CYS A 24 -7.090 -6.916 -3.780 1.00 0.00 C ATOM 356 C CYS A 24 -8.099 -6.747 -2.646 1.00 0.00 C ATOM 357 O CYS A 24 -9.196 -6.261 -2.833 1.00 0.00 O ATOM 358 CB CYS A 24 -5.792 -6.205 -3.392 1.00 0.00 C ATOM 359 SG CYS A 24 -5.684 -4.469 -3.947 1.00 0.00 S ATOM 0 H CYS A 24 -6.801 -5.528 -5.302 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.000 -7.989 -3.951 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.687 -6.234 -2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.951 -6.759 -3.808 1.00 0.00 H new ATOM 364 N GLU A 25 -7.675 -7.168 -1.484 1.00 0.00 N ATOM 365 CA GLU A 25 -8.524 -7.076 -0.277 1.00 0.00 C ATOM 366 C GLU A 25 -7.714 -6.391 0.803 1.00 0.00 C ATOM 367 O GLU A 25 -8.244 -5.735 1.676 1.00 0.00 O ATOM 368 CB GLU A 25 -8.882 -8.491 0.193 1.00 0.00 C ATOM 369 CG GLU A 25 -9.894 -8.390 1.336 1.00 0.00 C ATOM 370 CD GLU A 25 -10.352 -9.794 1.735 1.00 0.00 C ATOM 371 OE1 GLU A 25 -11.156 -10.332 0.993 1.00 0.00 O ATOM 372 OE2 GLU A 25 -9.871 -10.248 2.760 1.00 0.00 O ATOM 0 H GLU A 25 -6.755 -7.579 -1.325 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.438 -6.521 -0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.301 -9.068 -0.632 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.987 -9.016 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.444 -7.886 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.750 -7.791 1.026 1.00 0.00 H new ATOM 379 N GLY A 26 -6.413 -6.567 0.708 1.00 0.00 N ATOM 380 CA GLY A 26 -5.494 -5.947 1.705 1.00 0.00 C ATOM 381 C GLY A 26 -5.041 -4.578 1.205 1.00 0.00 C ATOM 382 O GLY A 26 -5.272 -3.583 1.859 1.00 0.00 O ATOM 0 H GLY A 26 -5.954 -7.115 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.999 -5.845 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.629 -6.590 1.866 1.00 0.00 H new ATOM 386 N CYS A 27 -4.396 -4.533 0.047 1.00 0.00 N ATOM 387 CA CYS A 27 -3.959 -3.205 -0.440 1.00 0.00 C ATOM 388 C CYS A 27 -5.186 -2.280 -0.488 1.00 0.00 C ATOM 389 O CYS A 27 -5.096 -1.119 -0.184 1.00 0.00 O ATOM 390 CB CYS A 27 -3.300 -3.309 -1.867 1.00 0.00 C ATOM 391 SG CYS A 27 -2.657 -4.913 -2.447 1.00 0.00 S ATOM 0 H CYS A 27 -4.169 -5.331 -0.546 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.207 -2.802 0.238 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.040 -2.972 -2.593 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.476 -2.597 -1.898 1.00 0.00 H new ATOM 396 N LYS A 28 -6.318 -2.838 -0.876 1.00 0.00 N ATOM 397 CA LYS A 28 -7.563 -2.012 -0.945 1.00 0.00 C ATOM 398 C LYS A 28 -7.726 -1.288 0.379 1.00 0.00 C ATOM 399 O LYS A 28 -8.265 -0.206 0.438 1.00 0.00 O ATOM 400 CB LYS A 28 -8.765 -2.972 -1.171 1.00 0.00 C ATOM 401 CG LYS A 28 -10.087 -2.238 -0.895 1.00 0.00 C ATOM 402 CD LYS A 28 -11.257 -3.084 -1.439 1.00 0.00 C ATOM 403 CE LYS A 28 -12.560 -2.656 -0.757 1.00 0.00 C ATOM 404 NZ LYS A 28 -12.584 -3.117 0.660 1.00 0.00 N ATOM 0 H LYS A 28 -6.427 -3.816 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.513 -1.285 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.754 -3.346 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.677 -3.838 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.209 -2.072 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.079 -1.257 -1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.340 -2.956 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.070 -4.142 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.657 -1.571 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.412 -3.071 -1.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.568 -3.162 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.152 -4.061 0.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.048 -2.450 1.251 1.00 0.00 H new ATOM 418 N ALA A 29 -7.241 -1.914 1.425 1.00 0.00 N ATOM 419 CA ALA A 29 -7.340 -1.298 2.765 1.00 0.00 C ATOM 420 C ALA A 29 -6.429 -0.074 2.814 1.00 0.00 C ATOM 421 O ALA A 29 -6.858 1.024 3.110 1.00 0.00 O ATOM 422 CB ALA A 29 -6.872 -2.349 3.812 1.00 0.00 C ATOM 0 H ALA A 29 -6.783 -2.825 1.398 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.363 -0.990 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.935 -1.920 4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.512 -3.230 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.841 -2.635 3.604 1.00 0.00 H new ATOM 428 N PHE A 30 -5.180 -0.305 2.518 1.00 0.00 N ATOM 429 CA PHE A 30 -4.193 0.804 2.525 1.00 0.00 C ATOM 430 C PHE A 30 -4.675 1.891 1.611 1.00 0.00 C ATOM 431 O PHE A 30 -4.713 3.055 1.959 1.00 0.00 O ATOM 432 CB PHE A 30 -2.863 0.226 1.957 1.00 0.00 C ATOM 433 CG PHE A 30 -1.932 1.351 1.436 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.083 1.861 0.141 1.00 0.00 C ATOM 435 CD2 PHE A 30 -0.923 1.858 2.235 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.236 2.857 -0.321 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.089 2.851 1.758 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.249 3.338 0.486 1.00 0.00 C ATOM 0 H PHE A 30 -4.802 -1.219 2.271 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.057 1.207 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.350 -0.341 2.734 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.084 -0.469 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.862 1.477 -0.501 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.787 1.476 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.358 3.251 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.693 3.246 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.413 4.109 0.121 1.00 0.00 H new ATOM 448 N PHE A 31 -5.029 1.474 0.458 1.00 0.00 N ATOM 449 CA PHE A 31 -5.518 2.408 -0.542 1.00 0.00 C ATOM 450 C PHE A 31 -6.735 3.180 -0.023 1.00 0.00 C ATOM 451 O PHE A 31 -6.927 4.317 -0.373 1.00 0.00 O ATOM 452 CB PHE A 31 -5.902 1.569 -1.769 1.00 0.00 C ATOM 453 CG PHE A 31 -6.460 2.471 -2.867 1.00 0.00 C ATOM 454 CD1 PHE A 31 -5.722 3.510 -3.348 1.00 0.00 C ATOM 455 CD2 PHE A 31 -7.742 2.294 -3.323 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.252 4.373 -4.254 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.300 3.152 -4.228 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.546 4.208 -4.709 1.00 0.00 C ATOM 0 H PHE A 31 -4.999 0.499 0.160 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.755 3.147 -0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.029 1.030 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.644 0.821 -1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.707 3.649 -3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.322 1.459 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.656 5.195 -4.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.316 3.008 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.964 4.894 -5.431 1.00 0.00 H new ATOM 468 N LYS A 32 -7.510 2.550 0.840 1.00 0.00 N ATOM 469 CA LYS A 32 -8.725 3.237 1.397 1.00 0.00 C ATOM 470 C LYS A 32 -8.327 4.396 2.299 1.00 0.00 C ATOM 471 O LYS A 32 -8.911 5.460 2.253 1.00 0.00 O ATOM 472 CB LYS A 32 -9.547 2.182 2.233 1.00 0.00 C ATOM 473 CG LYS A 32 -11.026 2.198 1.805 1.00 0.00 C ATOM 474 CD LYS A 32 -11.739 0.975 2.400 1.00 0.00 C ATOM 475 CE LYS A 32 -11.677 1.035 3.934 1.00 0.00 C ATOM 476 NZ LYS A 32 -10.380 0.490 4.425 1.00 0.00 N ATOM 0 H LYS A 32 -7.354 1.600 1.178 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.323 3.634 0.577 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.129 1.186 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.466 2.408 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.506 3.115 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.102 2.185 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.777 0.951 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.269 0.059 2.043 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.795 2.066 4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.503 0.465 4.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.560 -0.235 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.859 0.065 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.815 1.259 4.838 1.00 0.00 H new ATOM 490 N ARG A 33 -7.350 4.160 3.104 1.00 0.00 N ATOM 491 CA ARG A 33 -6.885 5.221 4.026 1.00 0.00 C ATOM 492 C ARG A 33 -5.968 6.187 3.303 1.00 0.00 C ATOM 493 O ARG A 33 -5.628 7.235 3.818 1.00 0.00 O ATOM 494 CB ARG A 33 -6.084 4.531 5.141 1.00 0.00 C ATOM 495 CG ARG A 33 -5.488 5.594 6.127 1.00 0.00 C ATOM 496 CD ARG A 33 -3.992 5.815 5.827 1.00 0.00 C ATOM 497 NE ARG A 33 -3.217 4.651 6.357 1.00 0.00 N ATOM 498 CZ ARG A 33 -1.958 4.804 6.683 1.00 0.00 C ATOM 499 NH1 ARG A 33 -1.366 5.933 6.401 1.00 0.00 N ATOM 500 NH2 ARG A 33 -1.338 3.823 7.277 1.00 0.00 N ATOM 0 H ARG A 33 -6.847 3.275 3.168 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.737 5.775 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.728 3.841 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.279 3.939 4.706 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.029 6.535 6.030 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.615 5.258 7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.833 5.917 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.647 6.740 6.289 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.667 3.742 6.464 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.884 6.678 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.386 6.070 6.647 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.834 2.955 7.480 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.357 3.923 7.539 1.00 0.00 H new ATOM 514 N SER A 34 -5.589 5.812 2.112 1.00 0.00 N ATOM 515 CA SER A 34 -4.676 6.683 1.300 1.00 0.00 C ATOM 516 C SER A 34 -5.326 7.294 0.050 1.00 0.00 C ATOM 517 O SER A 34 -4.680 8.052 -0.645 1.00 0.00 O ATOM 518 CB SER A 34 -3.548 5.794 0.818 1.00 0.00 C ATOM 519 OG SER A 34 -3.177 5.046 1.965 1.00 0.00 O ATOM 0 H SER A 34 -5.869 4.941 1.661 1.00 0.00 H new ATOM 0 HA SER A 34 -4.367 7.512 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.874 5.143 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.712 6.382 0.439 1.00 0.00 H new ATOM 0 HG SER A 34 -3.718 4.230 2.013 1.00 0.00 H new ATOM 525 N ILE A 35 -6.564 6.956 -0.241 1.00 0.00 N ATOM 526 CA ILE A 35 -7.201 7.561 -1.479 1.00 0.00 C ATOM 527 C ILE A 35 -6.855 9.036 -1.608 1.00 0.00 C ATOM 528 O ILE A 35 -6.405 9.656 -0.668 1.00 0.00 O ATOM 529 CB ILE A 35 -8.747 7.406 -1.468 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.170 6.013 -0.976 1.00 0.00 C ATOM 531 CG2 ILE A 35 -9.268 7.586 -2.928 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.815 4.951 -2.044 1.00 0.00 C ATOM 0 H ILE A 35 -7.148 6.314 0.295 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.799 7.015 -2.332 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.165 8.154 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.667 5.780 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.241 5.997 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.353 7.481 -2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.994 8.576 -3.292 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.821 6.827 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.117 3.965 -1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.338 5.180 -2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.740 4.959 -2.222 1.00 0.00 H new ATOM 544 N GLN A 36 -7.076 9.563 -2.784 1.00 0.00 N ATOM 545 CA GLN A 36 -6.768 10.985 -3.026 1.00 0.00 C ATOM 546 C GLN A 36 -5.286 11.195 -2.841 1.00 0.00 C ATOM 547 O GLN A 36 -4.678 10.609 -1.968 1.00 0.00 O ATOM 548 CB GLN A 36 -7.527 11.883 -2.050 1.00 0.00 C ATOM 549 CG GLN A 36 -8.987 11.435 -1.974 1.00 0.00 C ATOM 550 CD GLN A 36 -9.780 12.439 -1.135 1.00 0.00 C ATOM 551 OE1 GLN A 36 -9.790 13.622 -1.410 1.00 0.00 O ATOM 552 NE2 GLN A 36 -10.458 12.009 -0.107 1.00 0.00 N ATOM 0 H GLN A 36 -7.458 9.060 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.072 11.245 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.069 11.834 -1.062 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.471 12.922 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.411 11.366 -2.976 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.052 10.441 -1.531 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.453 11.017 0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.993 12.665 0.462 1.00 0.00 H new ATOM 561 N GLY A 37 -4.725 12.019 -3.643 1.00 0.00 N ATOM 562 CA GLY A 37 -3.266 12.261 -3.508 1.00 0.00 C ATOM 563 C GLY A 37 -2.977 12.980 -2.185 1.00 0.00 C ATOM 564 O GLY A 37 -2.953 14.192 -2.127 1.00 0.00 O ATOM 0 H GLY A 37 -5.196 12.538 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.727 11.314 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.909 12.862 -4.344 1.00 0.00 H new ATOM 568 N HIS A 38 -2.763 12.211 -1.143 1.00 0.00 N ATOM 569 CA HIS A 38 -2.475 12.832 0.191 1.00 0.00 C ATOM 570 C HIS A 38 -1.541 11.960 1.018 1.00 0.00 C ATOM 571 O HIS A 38 -1.079 10.932 0.565 1.00 0.00 O ATOM 572 CB HIS A 38 -3.804 12.981 0.950 1.00 0.00 C ATOM 573 CG HIS A 38 -3.602 13.924 2.138 1.00 0.00 C ATOM 574 ND1 HIS A 38 -2.925 14.973 2.110 1.00 0.00 N ATOM 575 CD2 HIS A 38 -4.089 13.835 3.428 1.00 0.00 C ATOM 576 CE1 HIS A 38 -2.926 15.558 3.234 1.00 0.00 C ATOM 577 NE2 HIS A 38 -3.647 14.904 4.147 1.00 0.00 N ATOM 0 H HIS A 38 -2.775 11.191 -1.157 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.995 13.797 0.031 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.574 13.373 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.149 12.007 1.298 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.720 13.044 3.806 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.402 16.482 3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.821 15.142 5.124 1.00 0.00 H new ATOM 585 N ASN A 39 -1.283 12.392 2.224 1.00 0.00 N ATOM 586 CA ASN A 39 -0.378 11.609 3.109 1.00 0.00 C ATOM 587 C ASN A 39 1.056 11.695 2.603 1.00 0.00 C ATOM 588 O ASN A 39 1.291 11.875 1.425 1.00 0.00 O ATOM 589 CB ASN A 39 -0.847 10.128 3.107 1.00 0.00 C ATOM 590 CG ASN A 39 -0.711 9.538 4.519 1.00 0.00 C ATOM 591 OD1 ASN A 39 0.467 9.508 5.081 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -1.674 9.100 5.118 1.00 0.00 N flip ATOM 0 H ASN A 39 -1.658 13.249 2.631 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.412 12.013 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.883 10.065 2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -0.251 9.549 2.402 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.597 9.121 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.559 8.712 6.054 1.00 0.00 H new ATOM 599 N ASP A 40 1.993 11.561 3.507 1.00 0.00 N ATOM 600 CA ASP A 40 3.431 11.630 3.097 1.00 0.00 C ATOM 601 C ASP A 40 3.997 10.248 2.964 1.00 0.00 C ATOM 602 O ASP A 40 4.242 9.566 3.940 1.00 0.00 O ATOM 603 CB ASP A 40 4.230 12.368 4.147 1.00 0.00 C ATOM 604 CG ASP A 40 4.015 11.714 5.514 1.00 0.00 C ATOM 605 OD1 ASP A 40 2.932 11.908 6.043 1.00 0.00 O ATOM 606 OD2 ASP A 40 4.945 11.057 5.953 1.00 0.00 O ATOM 0 H ASP A 40 1.829 11.408 4.502 1.00 0.00 H new ATOM 0 HA ASP A 40 3.490 12.151 2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.289 12.353 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.925 13.414 4.182 1.00 0.00 H new ATOM 611 N TYR A 41 4.229 9.883 1.757 1.00 0.00 N ATOM 612 CA TYR A 41 4.792 8.528 1.453 1.00 0.00 C ATOM 613 C TYR A 41 6.148 8.649 0.761 1.00 0.00 C ATOM 614 O TYR A 41 7.184 8.500 1.375 1.00 0.00 O ATOM 615 CB TYR A 41 3.837 7.830 0.449 1.00 0.00 C ATOM 616 CG TYR A 41 2.448 7.458 1.045 1.00 0.00 C ATOM 617 CD1 TYR A 41 2.123 7.608 2.391 1.00 0.00 C ATOM 618 CD2 TYR A 41 1.494 6.956 0.194 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.871 7.262 2.851 1.00 0.00 C ATOM 620 CE2 TYR A 41 0.235 6.600 0.661 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.080 6.756 1.993 1.00 0.00 C ATOM 622 OH TYR A 41 -1.329 6.411 2.461 1.00 0.00 O ATOM 0 H TYR A 41 4.055 10.465 0.938 1.00 0.00 H new ATOM 0 HA TYR A 41 4.899 7.974 2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.688 8.485 -0.409 1.00 0.00 H new ATOM 0 HB3 TYR A 41 4.316 6.923 0.079 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.858 7.998 3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 41 1.726 6.836 -0.854 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.633 7.389 3.897 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.499 6.200 -0.022 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.567 5.519 2.132 1.00 0.00 H new ATOM 632 N MET A 42 6.100 8.917 -0.518 1.00 0.00 N ATOM 633 CA MET A 42 7.348 9.057 -1.303 1.00 0.00 C ATOM 634 C MET A 42 8.032 7.698 -1.472 1.00 0.00 C ATOM 635 O MET A 42 7.963 6.844 -0.610 1.00 0.00 O ATOM 636 CB MET A 42 8.313 10.040 -0.567 1.00 0.00 C ATOM 637 CG MET A 42 8.927 11.026 -1.575 1.00 0.00 C ATOM 638 SD MET A 42 10.327 12.025 -1.015 1.00 0.00 S ATOM 639 CE MET A 42 10.634 12.878 -2.580 1.00 0.00 C ATOM 0 H MET A 42 5.240 9.045 -1.051 1.00 0.00 H new ATOM 0 HA MET A 42 7.102 9.448 -2.290 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.770 10.586 0.204 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.103 9.480 -0.066 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.246 10.459 -2.449 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.140 11.704 -1.905 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.475 13.561 -2.463 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.865 12.146 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.746 13.442 -2.867 1.00 0.00 H new ATOM 649 N CYS A 43 8.674 7.540 -2.587 1.00 0.00 N ATOM 650 CA CYS A 43 9.387 6.258 -2.877 1.00 0.00 C ATOM 651 C CYS A 43 10.883 6.360 -2.453 1.00 0.00 C ATOM 652 O CYS A 43 11.497 7.392 -2.644 1.00 0.00 O ATOM 653 CB CYS A 43 9.333 6.039 -4.401 1.00 0.00 C ATOM 654 SG CYS A 43 10.183 4.587 -5.070 1.00 0.00 S ATOM 0 H CYS A 43 8.741 8.245 -3.321 1.00 0.00 H new ATOM 0 HA CYS A 43 8.918 5.441 -2.329 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.285 5.980 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.750 6.924 -4.882 1.00 0.00 H new ATOM 659 N PRO A 44 11.459 5.283 -1.875 1.00 0.00 N ATOM 660 CA PRO A 44 12.870 5.317 -1.455 1.00 0.00 C ATOM 661 C PRO A 44 13.821 5.380 -2.670 1.00 0.00 C ATOM 662 O PRO A 44 14.939 4.906 -2.606 1.00 0.00 O ATOM 663 CB PRO A 44 13.084 3.973 -0.684 1.00 0.00 C ATOM 664 CG PRO A 44 11.832 3.084 -0.970 1.00 0.00 C ATOM 665 CD PRO A 44 10.753 4.013 -1.580 1.00 0.00 C ATOM 0 HA PRO A 44 13.085 6.197 -0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.995 3.477 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.193 4.154 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.081 2.276 -1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.469 2.621 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.326 3.580 -2.485 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.930 4.172 -0.883 1.00 0.00 H new ATOM 673 N ALA A 45 13.365 5.964 -3.746 1.00 0.00 N ATOM 674 CA ALA A 45 14.232 6.054 -4.945 1.00 0.00 C ATOM 675 C ALA A 45 13.726 7.094 -5.838 1.00 0.00 C ATOM 676 O ALA A 45 14.441 7.614 -6.671 1.00 0.00 O ATOM 677 CB ALA A 45 14.174 4.727 -5.675 1.00 0.00 C ATOM 0 H ALA A 45 12.438 6.378 -3.842 1.00 0.00 H new ATOM 0 HA ALA A 45 15.253 6.290 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.806 4.772 -6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.528 3.934 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.146 4.520 -5.972 1.00 0.00 H new ATOM 683 N THR A 46 12.495 7.369 -5.684 1.00 0.00 N ATOM 684 CA THR A 46 11.887 8.393 -6.515 1.00 0.00 C ATOM 685 C THR A 46 12.102 8.074 -7.999 1.00 0.00 C ATOM 686 O THR A 46 12.741 8.811 -8.721 1.00 0.00 O ATOM 687 CB THR A 46 12.558 9.740 -6.132 1.00 0.00 C ATOM 688 OG1 THR A 46 11.843 10.187 -4.997 1.00 0.00 O ATOM 689 CG2 THR A 46 12.313 10.843 -7.189 1.00 0.00 C ATOM 0 H THR A 46 11.873 6.923 -5.009 1.00 0.00 H new ATOM 0 HA THR A 46 10.810 8.443 -6.353 1.00 0.00 H new ATOM 0 HB THR A 46 13.629 9.582 -6.008 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.214 11.041 -4.692 1.00 0.00 H new ATOM 0 HG21 THR A 46 12.803 11.764 -6.874 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.721 10.525 -8.148 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.242 11.018 -7.291 1.00 0.00 H new ATOM 697 N ASN A 47 11.562 6.958 -8.418 1.00 0.00 N ATOM 698 CA ASN A 47 11.710 6.554 -9.840 1.00 0.00 C ATOM 699 C ASN A 47 10.853 5.330 -10.137 1.00 0.00 C ATOM 700 O ASN A 47 11.182 4.533 -10.994 1.00 0.00 O ATOM 701 CB ASN A 47 13.182 6.198 -10.099 1.00 0.00 C ATOM 702 CG ASN A 47 13.416 6.094 -11.609 1.00 0.00 C ATOM 703 OD1 ASN A 47 13.211 5.058 -12.209 1.00 0.00 O ATOM 704 ND2 ASN A 47 13.845 7.142 -12.258 1.00 0.00 N ATOM 0 H ASN A 47 11.027 6.314 -7.835 1.00 0.00 H new ATOM 0 HA ASN A 47 11.391 7.377 -10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.834 6.959 -9.669 1.00 0.00 H new ATOM 0 HB3 ASN A 47 13.431 5.254 -9.614 1.00 0.00 H new ATOM 0 HD21 ASN A 47 14.006 7.088 -13.264 1.00 0.00 H new ATOM 0 HD22 ASN A 47 14.019 8.015 -11.759 1.00 0.00 H new ATOM 711 N GLN A 48 9.770 5.201 -9.413 1.00 0.00 N ATOM 712 CA GLN A 48 8.867 4.038 -9.629 1.00 0.00 C ATOM 713 C GLN A 48 9.607 2.720 -9.424 1.00 0.00 C ATOM 714 O GLN A 48 10.467 2.360 -10.204 1.00 0.00 O ATOM 715 CB GLN A 48 8.334 4.087 -11.072 1.00 0.00 C ATOM 716 CG GLN A 48 7.137 3.142 -11.196 1.00 0.00 C ATOM 717 CD GLN A 48 6.693 3.079 -12.659 1.00 0.00 C ATOM 718 OE1 GLN A 48 6.798 4.042 -13.393 1.00 0.00 O ATOM 719 NE2 GLN A 48 6.192 1.967 -13.123 1.00 0.00 N ATOM 0 H GLN A 48 9.475 5.851 -8.684 1.00 0.00 H new ATOM 0 HA GLN A 48 8.051 4.094 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.038 5.104 -11.329 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.117 3.796 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.406 2.147 -10.842 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.316 3.492 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.101 1.155 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.891 1.910 -14.096 1.00 0.00 H new ATOM 728 N CYS A 49 9.254 2.021 -8.364 1.00 0.00 N ATOM 729 CA CYS A 49 9.917 0.706 -8.065 1.00 0.00 C ATOM 730 C CYS A 49 8.870 -0.395 -7.927 1.00 0.00 C ATOM 731 O CYS A 49 7.703 -0.121 -7.731 1.00 0.00 O ATOM 732 CB CYS A 49 10.678 0.837 -6.732 1.00 0.00 C ATOM 733 SG CYS A 49 9.703 0.806 -5.205 1.00 0.00 S ATOM 0 H CYS A 49 8.537 2.304 -7.696 1.00 0.00 H new ATOM 0 HA CYS A 49 10.597 0.450 -8.877 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.408 0.030 -6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 49 11.238 1.772 -6.755 1.00 0.00 H new ATOM 738 N THR A 50 9.305 -1.623 -8.034 1.00 0.00 N ATOM 739 CA THR A 50 8.344 -2.751 -7.911 1.00 0.00 C ATOM 740 C THR A 50 7.406 -2.551 -6.726 1.00 0.00 C ATOM 741 O THR A 50 7.604 -1.670 -5.912 1.00 0.00 O ATOM 742 CB THR A 50 9.139 -4.044 -7.700 1.00 0.00 C ATOM 743 OG1 THR A 50 10.173 -4.007 -8.662 1.00 0.00 O ATOM 744 CG2 THR A 50 8.297 -5.273 -8.083 1.00 0.00 C ATOM 0 H THR A 50 10.276 -1.889 -8.200 1.00 0.00 H new ATOM 0 HA THR A 50 7.744 -2.801 -8.820 1.00 0.00 H new ATOM 0 HB THR A 50 9.464 -4.113 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 50 10.725 -4.812 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.882 -6.179 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.401 -5.307 -7.464 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.010 -5.205 -9.132 1.00 0.00 H new ATOM 752 N ILE A 51 6.397 -3.377 -6.653 1.00 0.00 N ATOM 753 CA ILE A 51 5.427 -3.260 -5.532 1.00 0.00 C ATOM 754 C ILE A 51 4.687 -4.594 -5.354 1.00 0.00 C ATOM 755 O ILE A 51 4.361 -5.255 -6.320 1.00 0.00 O ATOM 756 CB ILE A 51 4.432 -2.075 -5.884 1.00 0.00 C ATOM 757 CG1 ILE A 51 4.443 -1.006 -4.776 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.964 -2.589 -6.069 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.793 -1.552 -3.495 1.00 0.00 C ATOM 0 H ILE A 51 6.205 -4.125 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 51 5.928 -3.040 -4.589 1.00 0.00 H new ATOM 0 HB ILE A 51 4.777 -1.641 -6.822 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.468 -0.699 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.907 -0.119 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.312 -1.749 -6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.933 -3.316 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.624 -3.060 -5.146 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.809 -0.783 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.761 -1.836 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.347 -2.425 -3.150 1.00 0.00 H new ATOM 771 N ASP A 52 4.434 -4.955 -4.127 1.00 0.00 N ATOM 772 CA ASP A 52 3.721 -6.233 -3.878 1.00 0.00 C ATOM 773 C ASP A 52 3.438 -6.424 -2.389 1.00 0.00 C ATOM 774 O ASP A 52 2.530 -5.824 -1.848 1.00 0.00 O ATOM 775 CB ASP A 52 4.612 -7.390 -4.375 1.00 0.00 C ATOM 776 CG ASP A 52 6.049 -7.171 -3.893 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.560 -6.100 -4.177 1.00 0.00 O ATOM 778 OD2 ASP A 52 6.556 -8.089 -3.269 1.00 0.00 O ATOM 0 H ASP A 52 4.688 -4.424 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 52 2.768 -6.218 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.233 -8.341 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.586 -7.442 -5.463 1.00 0.00 H new ATOM 783 N LYS A 53 4.219 -7.258 -1.752 1.00 0.00 N ATOM 784 CA LYS A 53 4.002 -7.494 -0.305 1.00 0.00 C ATOM 785 C LYS A 53 2.530 -7.779 -0.023 1.00 0.00 C ATOM 786 O LYS A 53 1.818 -8.273 -0.875 1.00 0.00 O ATOM 787 CB LYS A 53 4.436 -6.230 0.466 1.00 0.00 C ATOM 788 CG LYS A 53 5.711 -5.658 -0.172 1.00 0.00 C ATOM 789 CD LYS A 53 6.781 -6.752 -0.242 1.00 0.00 C ATOM 790 CE LYS A 53 8.127 -6.117 -0.596 1.00 0.00 C ATOM 791 NZ LYS A 53 8.046 -5.421 -1.912 1.00 0.00 N ATOM 0 H LYS A 53 4.989 -7.779 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 53 4.587 -8.357 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.640 -5.486 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.617 -6.473 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.493 -5.283 -1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.076 -4.814 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.850 -7.271 0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.509 -7.497 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.417 -5.408 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.900 -6.885 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.866 -5.684 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.171 -5.701 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.044 -4.392 -1.761 1.00 0.00 H new ATOM 805 N ASN A 54 2.096 -7.457 1.167 1.00 0.00 N ATOM 806 CA ASN A 54 0.672 -7.703 1.516 1.00 0.00 C ATOM 807 C ASN A 54 0.250 -6.852 2.707 1.00 0.00 C ATOM 808 O ASN A 54 -0.922 -6.748 3.013 1.00 0.00 O ATOM 809 CB ASN A 54 0.517 -9.185 1.889 1.00 0.00 C ATOM 810 CG ASN A 54 0.592 -10.038 0.621 1.00 0.00 C ATOM 811 OD1 ASN A 54 1.652 -10.466 0.210 1.00 0.00 O ATOM 812 ND2 ASN A 54 -0.508 -10.306 -0.029 1.00 0.00 N ATOM 0 H ASN A 54 2.663 -7.038 1.905 1.00 0.00 H new ATOM 0 HA ASN A 54 0.046 -7.443 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.301 -9.480 2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -0.435 -9.347 2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.474 -10.872 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -1.401 -9.950 0.311 1.00 0.00 H new ATOM 819 N ARG A 55 1.217 -6.254 3.363 1.00 0.00 N ATOM 820 CA ARG A 55 0.907 -5.401 4.539 1.00 0.00 C ATOM 821 C ARG A 55 1.023 -3.936 4.178 1.00 0.00 C ATOM 822 O ARG A 55 0.128 -3.353 3.600 1.00 0.00 O ATOM 823 CB ARG A 55 1.936 -5.736 5.648 1.00 0.00 C ATOM 824 CG ARG A 55 1.645 -7.145 6.217 1.00 0.00 C ATOM 825 CD ARG A 55 0.558 -7.060 7.316 1.00 0.00 C ATOM 826 NE ARG A 55 1.224 -6.929 8.646 1.00 0.00 N ATOM 827 CZ ARG A 55 2.132 -6.009 8.821 1.00 0.00 C ATOM 828 NH1 ARG A 55 1.750 -4.789 9.085 1.00 0.00 N ATOM 829 NH2 ARG A 55 3.391 -6.338 8.728 1.00 0.00 N ATOM 0 H ARG A 55 2.207 -6.324 3.129 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.112 -5.592 4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.947 -5.698 5.243 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.883 -4.993 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.314 -7.808 5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.558 -7.575 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.095 -6.206 7.135 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.070 -7.951 7.295 1.00 0.00 H new ATOM 0 HE ARG A 55 0.971 -7.554 9.411 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.756 -4.569 9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.445 -4.056 9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.652 -7.302 8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.114 -5.631 8.862 1.00 0.00 H new ATOM 843 N ARG A 56 2.122 -3.391 4.519 1.00 0.00 N ATOM 844 CA ARG A 56 2.382 -1.954 4.231 1.00 0.00 C ATOM 845 C ARG A 56 3.738 -1.540 4.801 1.00 0.00 C ATOM 846 O ARG A 56 3.817 -0.657 5.632 1.00 0.00 O ATOM 847 CB ARG A 56 1.285 -1.099 4.911 1.00 0.00 C ATOM 848 CG ARG A 56 1.042 -1.625 6.333 1.00 0.00 C ATOM 849 CD ARG A 56 0.288 -0.566 7.143 1.00 0.00 C ATOM 850 NE ARG A 56 0.151 -1.039 8.549 1.00 0.00 N ATOM 851 CZ ARG A 56 -0.649 -0.407 9.361 1.00 0.00 C ATOM 852 NH1 ARG A 56 -0.986 0.823 9.085 1.00 0.00 N ATOM 853 NH2 ARG A 56 -1.085 -1.025 10.424 1.00 0.00 N ATOM 0 H ARG A 56 2.881 -3.876 4.997 1.00 0.00 H new ATOM 0 HA ARG A 56 2.378 -1.801 3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.591 -0.053 4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.363 -1.142 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.466 -2.550 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.992 -1.859 6.814 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.825 0.382 7.115 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.695 -0.388 6.708 1.00 0.00 H new ATOM 0 HE ARG A 56 0.678 -1.850 8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.624 1.275 8.245 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.611 1.333 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.799 -1.987 10.608 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.712 -0.547 11.071 1.00 0.00 H new ATOM 867 N LYS A 57 4.788 -2.189 4.344 1.00 0.00 N ATOM 868 CA LYS A 57 6.153 -1.845 4.852 1.00 0.00 C ATOM 869 C LYS A 57 7.187 -1.944 3.736 1.00 0.00 C ATOM 870 O LYS A 57 8.096 -2.748 3.791 1.00 0.00 O ATOM 871 CB LYS A 57 6.523 -2.845 5.969 1.00 0.00 C ATOM 872 CG LYS A 57 7.826 -2.386 6.664 1.00 0.00 C ATOM 873 CD LYS A 57 7.916 -3.013 8.063 1.00 0.00 C ATOM 874 CE LYS A 57 8.072 -4.528 7.930 1.00 0.00 C ATOM 875 NZ LYS A 57 8.428 -5.132 9.246 1.00 0.00 N ATOM 0 H LYS A 57 4.757 -2.934 3.648 1.00 0.00 H new ATOM 0 HA LYS A 57 6.147 -0.823 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.714 -2.909 6.696 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.654 -3.842 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.690 -2.679 6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.845 -1.299 6.740 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.763 -2.595 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.020 -2.777 8.638 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.144 -4.965 7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.845 -4.757 7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.530 -6.161 9.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.325 -4.728 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.677 -4.929 9.936 1.00 0.00 H new ATOM 889 N SER A 58 7.020 -1.120 2.741 1.00 0.00 N ATOM 890 CA SER A 58 7.971 -1.128 1.598 1.00 0.00 C ATOM 891 C SER A 58 7.923 0.213 0.882 1.00 0.00 C ATOM 892 O SER A 58 8.832 1.013 0.991 1.00 0.00 O ATOM 893 CB SER A 58 7.549 -2.234 0.620 1.00 0.00 C ATOM 894 OG SER A 58 7.807 -3.439 1.327 1.00 0.00 O ATOM 0 H SER A 58 6.263 -0.440 2.670 1.00 0.00 H new ATOM 0 HA SER A 58 8.983 -1.306 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.496 -2.148 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.120 -2.186 -0.307 1.00 0.00 H new ATOM 0 HG SER A 58 8.264 -3.233 2.169 1.00 0.00 H new ATOM 900 N CYS A 59 6.855 0.436 0.157 1.00 0.00 N ATOM 901 CA CYS A 59 6.711 1.720 -0.580 1.00 0.00 C ATOM 902 C CYS A 59 5.242 2.097 -0.679 1.00 0.00 C ATOM 903 O CYS A 59 4.500 1.538 -1.464 1.00 0.00 O ATOM 904 CB CYS A 59 7.296 1.566 -1.993 1.00 0.00 C ATOM 905 SG CYS A 59 7.690 3.097 -2.867 1.00 0.00 S ATOM 0 H CYS A 59 6.080 -0.217 0.046 1.00 0.00 H new ATOM 0 HA CYS A 59 7.247 2.504 -0.044 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.205 0.968 -1.924 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.587 1.000 -2.597 1.00 0.00 H new ATOM 910 N GLN A 60 4.853 3.041 0.123 1.00 0.00 N ATOM 911 CA GLN A 60 3.443 3.484 0.114 1.00 0.00 C ATOM 912 C GLN A 60 3.130 4.373 -1.090 1.00 0.00 C ATOM 913 O GLN A 60 2.007 4.423 -1.546 1.00 0.00 O ATOM 914 CB GLN A 60 3.205 4.292 1.406 1.00 0.00 C ATOM 915 CG GLN A 60 3.347 3.361 2.620 1.00 0.00 C ATOM 916 CD GLN A 60 2.704 4.020 3.846 1.00 0.00 C ATOM 917 OE1 GLN A 60 2.502 5.217 3.886 1.00 0.00 O ATOM 918 NE2 GLN A 60 2.370 3.275 4.865 1.00 0.00 N ATOM 0 H GLN A 60 5.456 3.526 0.787 1.00 0.00 H new ATOM 0 HA GLN A 60 2.796 2.609 0.053 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.922 5.110 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.211 4.740 1.391 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.868 2.403 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 60 4.400 3.156 2.814 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.537 2.269 4.838 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.942 3.699 5.688 1.00 0.00 H new ATOM 927 N ALA A 61 4.119 5.050 -1.593 1.00 0.00 N ATOM 928 CA ALA A 61 3.864 5.931 -2.763 1.00 0.00 C ATOM 929 C ALA A 61 3.706 5.149 -4.044 1.00 0.00 C ATOM 930 O ALA A 61 2.870 5.480 -4.851 1.00 0.00 O ATOM 931 CB ALA A 61 5.013 6.927 -2.877 1.00 0.00 C ATOM 0 H ALA A 61 5.080 5.034 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 61 2.922 6.456 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.843 7.583 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.069 7.524 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.950 6.387 -3.015 1.00 0.00 H new ATOM 937 N CYS A 62 4.484 4.125 -4.233 1.00 0.00 N ATOM 938 CA CYS A 62 4.322 3.362 -5.486 1.00 0.00 C ATOM 939 C CYS A 62 3.039 2.566 -5.404 1.00 0.00 C ATOM 940 O CYS A 62 2.358 2.406 -6.381 1.00 0.00 O ATOM 941 CB CYS A 62 5.531 2.412 -5.673 1.00 0.00 C ATOM 942 SG CYS A 62 7.009 3.102 -6.453 1.00 0.00 S ATOM 0 H CYS A 62 5.205 3.793 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 62 4.276 4.040 -6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 62 5.814 2.028 -4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.202 1.559 -6.267 1.00 0.00 H new ATOM 947 N ARG A 63 2.729 2.074 -4.230 1.00 0.00 N ATOM 948 CA ARG A 63 1.485 1.295 -4.099 1.00 0.00 C ATOM 949 C ARG A 63 0.332 2.205 -4.437 1.00 0.00 C ATOM 950 O ARG A 63 -0.441 1.949 -5.339 1.00 0.00 O ATOM 951 CB ARG A 63 1.345 0.830 -2.634 1.00 0.00 C ATOM 952 CG ARG A 63 0.241 -0.227 -2.540 1.00 0.00 C ATOM 953 CD ARG A 63 0.199 -0.786 -1.114 1.00 0.00 C ATOM 954 NE ARG A 63 1.374 -1.681 -0.908 1.00 0.00 N ATOM 955 CZ ARG A 63 1.650 -2.112 0.294 1.00 0.00 C ATOM 956 NH1 ARG A 63 0.673 -2.297 1.137 1.00 0.00 N ATOM 957 NH2 ARG A 63 2.895 -2.344 0.611 1.00 0.00 N ATOM 0 H ARG A 63 3.279 2.181 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 63 1.497 0.429 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.290 0.418 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.107 1.679 -1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.722 0.212 -2.800 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.428 -1.030 -3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.215 0.029 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.727 -1.338 -0.953 1.00 0.00 H new ATOM 0 HE ARG A 63 1.957 -1.954 -1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.288 -2.106 0.854 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.870 -2.633 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.633 -2.188 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.129 -2.681 1.545 1.00 0.00 H new ATOM 971 N LEU A 64 0.247 3.257 -3.692 1.00 0.00 N ATOM 972 CA LEU A 64 -0.819 4.232 -3.908 1.00 0.00 C ATOM 973 C LEU A 64 -0.886 4.645 -5.362 1.00 0.00 C ATOM 974 O LEU A 64 -1.911 4.518 -6.001 1.00 0.00 O ATOM 975 CB LEU A 64 -0.464 5.461 -3.076 1.00 0.00 C ATOM 976 CG LEU A 64 -1.541 6.551 -3.215 1.00 0.00 C ATOM 977 CD1 LEU A 64 -2.938 5.972 -2.823 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.173 7.741 -2.259 1.00 0.00 C ATOM 0 H LEU A 64 0.887 3.480 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.780 3.802 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.361 5.178 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.501 5.855 -3.396 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.585 6.900 -4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.695 6.749 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.184 5.138 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.911 5.624 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.927 8.523 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.137 7.383 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.199 8.144 -2.537 1.00 0.00 H new ATOM 990 N ARG A 65 0.213 5.142 -5.865 1.00 0.00 N ATOM 991 CA ARG A 65 0.222 5.567 -7.274 1.00 0.00 C ATOM 992 C ARG A 65 -0.183 4.411 -8.154 1.00 0.00 C ATOM 993 O ARG A 65 -0.939 4.577 -9.091 1.00 0.00 O ATOM 994 CB ARG A 65 1.664 6.021 -7.651 1.00 0.00 C ATOM 995 CG ARG A 65 1.850 7.505 -7.263 1.00 0.00 C ATOM 996 CD ARG A 65 1.329 8.427 -8.404 1.00 0.00 C ATOM 997 NE ARG A 65 0.325 7.678 -9.250 1.00 0.00 N ATOM 998 CZ ARG A 65 0.615 7.368 -10.494 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.862 7.163 -10.817 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -0.354 7.278 -11.364 1.00 0.00 N ATOM 0 H ARG A 65 1.090 5.267 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.479 6.390 -7.416 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.399 5.403 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.831 5.889 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.312 7.717 -6.339 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.904 7.710 -7.072 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.868 9.319 -7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.162 8.761 -9.023 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.578 7.413 -8.856 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.592 7.244 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.107 6.921 -11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.317 7.447 -11.074 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.148 7.039 -12.334 1.00 0.00 H new ATOM 1014 N LYS A 66 0.321 3.249 -7.845 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.040 2.093 -8.665 1.00 0.00 C ATOM 1016 C LYS A 66 -1.462 1.737 -8.411 1.00 0.00 C ATOM 1017 O LYS A 66 -2.004 0.918 -9.097 1.00 0.00 O ATOM 1018 CB LYS A 66 0.861 0.904 -8.319 1.00 0.00 C ATOM 1019 CG LYS A 66 2.242 1.135 -8.942 1.00 0.00 C ATOM 1020 CD LYS A 66 3.228 0.104 -8.392 1.00 0.00 C ATOM 1021 CE LYS A 66 4.510 0.143 -9.230 1.00 0.00 C ATOM 1022 NZ LYS A 66 5.202 1.452 -9.062 1.00 0.00 N ATOM 0 H LYS A 66 0.957 3.065 -7.069 1.00 0.00 H new ATOM 0 HA LYS A 66 0.093 2.341 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.947 0.798 -7.238 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.426 -0.022 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.181 1.053 -10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.590 2.143 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.454 0.319 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.788 -0.893 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.174 -0.667 -8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.270 -0.016 -10.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.115 2.006 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.767 1.976 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.208 1.289 -8.854 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.039 2.315 -7.365 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.456 2.014 -7.064 1.00 0.00 C ATOM 1038 C CYS A 67 -4.299 2.996 -7.848 1.00 0.00 C ATOM 1039 O CYS A 67 -5.396 2.702 -8.246 1.00 0.00 O ATOM 1040 CB CYS A 67 -3.697 2.172 -5.552 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.437 0.761 -4.701 1.00 0.00 S ATOM 0 H CYS A 67 -1.583 2.968 -6.728 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.717 0.993 -7.343 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.742 2.395 -5.076 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.340 3.039 -5.398 1.00 0.00 H new ATOM 0 HG CYS A 67 -5.539 1.133 -4.121 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.764 4.178 -8.019 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.518 5.209 -8.789 1.00 0.00 C ATOM 1049 C TYR A 68 -4.320 4.933 -10.265 1.00 0.00 C ATOM 1050 O TYR A 68 -5.164 5.243 -11.079 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.938 6.628 -8.506 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.221 7.129 -7.063 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.471 6.981 -6.460 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.229 7.815 -6.368 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -5.708 7.503 -5.205 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.488 8.345 -5.118 1.00 0.00 C ATOM 1057 CZ TYR A 68 -4.715 8.186 -4.531 1.00 0.00 C ATOM 1058 OH TYR A 68 -4.929 8.660 -3.272 1.00 0.00 O ATOM 0 H TYR A 68 -2.853 4.470 -7.665 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.568 5.171 -8.501 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.861 6.613 -8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.362 7.335 -9.219 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.258 6.454 -6.979 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.250 7.934 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.678 7.376 -4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.714 8.891 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.149 9.177 -2.980 1.00 0.00 H new ATOM 1068 N GLU A 69 -3.183 4.368 -10.588 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.897 4.057 -12.004 1.00 0.00 C ATOM 1070 C GLU A 69 -3.936 3.098 -12.518 1.00 0.00 C ATOM 1071 O GLU A 69 -4.100 2.884 -13.703 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.516 3.397 -12.050 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.944 3.507 -13.466 1.00 0.00 C ATOM 1074 CD GLU A 69 0.482 2.951 -13.480 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.094 3.001 -12.427 1.00 0.00 O ATOM 1076 OE2 GLU A 69 0.879 2.507 -14.546 1.00 0.00 O ATOM 0 H GLU A 69 -2.449 4.113 -9.928 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.916 4.957 -12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.847 3.879 -11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.592 2.350 -11.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.569 2.954 -14.167 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.944 4.547 -13.791 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.598 2.558 -11.589 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.681 1.571 -11.868 1.00 0.00 C ATOM 1085 C VAL A 70 -6.985 2.247 -12.205 1.00 0.00 C ATOM 1086 O VAL A 70 -7.919 1.620 -12.661 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.917 0.798 -10.571 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.824 -0.390 -10.819 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.599 0.332 -10.020 1.00 0.00 C ATOM 0 H VAL A 70 -4.448 2.749 -10.598 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.377 0.946 -12.708 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.401 1.456 -9.849 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.981 -0.929 -9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.783 -0.042 -11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.361 -1.055 -11.548 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.766 -0.220 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.110 -0.317 -10.746 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.963 1.194 -9.819 1.00 0.00 H new ATOM 1099 N GLY A 71 -7.026 3.502 -11.986 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.279 4.240 -12.280 1.00 0.00 C ATOM 1101 C GLY A 71 -9.357 3.626 -11.387 1.00 0.00 C ATOM 1102 O GLY A 71 -10.494 3.461 -11.779 1.00 0.00 O ATOM 0 H GLY A 71 -6.258 4.063 -11.618 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.162 5.304 -12.073 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.547 4.148 -13.333 1.00 0.00 H new ATOM 1106 N MET A 72 -8.940 3.305 -10.180 1.00 0.00 N ATOM 1107 CA MET A 72 -9.871 2.689 -9.187 1.00 0.00 C ATOM 1108 C MET A 72 -10.764 3.698 -8.516 1.00 0.00 C ATOM 1109 O MET A 72 -11.921 3.860 -8.841 1.00 0.00 O ATOM 1110 CB MET A 72 -8.977 2.048 -8.049 1.00 0.00 C ATOM 1111 CG MET A 72 -8.725 0.571 -8.310 1.00 0.00 C ATOM 1112 SD MET A 72 -9.355 -0.565 -7.050 1.00 0.00 S ATOM 1113 CE MET A 72 -7.900 -0.596 -6.064 1.00 0.00 C ATOM 0 H MET A 72 -7.988 3.446 -9.843 1.00 0.00 H new ATOM 0 HA MET A 72 -10.500 1.973 -9.716 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.026 2.577 -7.990 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.470 2.170 -7.084 1.00 0.00 H new ATOM 0 HG2 MET A 72 -9.174 0.308 -9.268 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.651 0.416 -8.409 1.00 0.00 H new ATOM 0 HE1 MET A 72 -8.056 -1.250 -5.206 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.066 -0.970 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.675 0.412 -5.716 1.00 0.00 H new ATOM 1123 N MET A 73 -10.165 4.326 -7.577 1.00 0.00 N ATOM 1124 CA MET A 73 -10.830 5.348 -6.771 1.00 0.00 C ATOM 1125 C MET A 73 -11.792 4.635 -5.875 1.00 0.00 C ATOM 1126 O MET A 73 -12.703 3.978 -6.337 1.00 0.00 O ATOM 1127 CB MET A 73 -11.583 6.368 -7.638 1.00 0.00 C ATOM 1128 CG MET A 73 -10.688 6.849 -8.793 1.00 0.00 C ATOM 1129 SD MET A 73 -11.170 8.380 -9.630 1.00 0.00 S ATOM 1130 CE MET A 73 -12.300 7.634 -10.832 1.00 0.00 C ATOM 0 H MET A 73 -9.191 4.164 -7.322 1.00 0.00 H new ATOM 0 HA MET A 73 -10.086 5.909 -6.205 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.492 5.917 -8.036 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.890 7.218 -7.028 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.677 6.979 -8.406 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.644 6.056 -9.539 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.722 8.413 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 73 -11.755 6.919 -11.449 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.104 7.120 -10.305 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.571 4.763 -4.610 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.462 4.091 -3.638 1.00 0.00 C ATOM 1142 C LYS A 74 -13.940 4.177 -4.078 1.00 0.00 C ATOM 1143 O LYS A 74 -14.739 3.320 -3.755 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.272 4.765 -2.248 1.00 0.00 C ATOM 1145 CG LYS A 74 -13.531 4.585 -1.371 1.00 0.00 C ATOM 1146 CD LYS A 74 -13.193 4.946 0.076 1.00 0.00 C ATOM 1147 CE LYS A 74 -14.397 4.626 0.967 1.00 0.00 C ATOM 1148 NZ LYS A 74 -15.564 5.474 0.593 1.00 0.00 N ATOM 0 H LYS A 74 -10.810 5.305 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.201 3.034 -3.584 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.408 4.331 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.064 5.827 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.338 5.220 -1.738 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.884 3.555 -1.428 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.319 4.386 0.409 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.941 6.004 0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.659 3.573 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.138 4.794 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -16.285 5.422 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -15.254 6.460 0.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -15.969 5.132 -0.302 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.263 5.213 -4.805 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.670 5.371 -5.270 1.00 0.00 C ATOM 1164 C GLY A 75 -15.995 4.335 -6.348 1.00 0.00 C ATOM 1165 O GLY A 75 -15.952 3.165 -6.005 1.00 0.00 O ATOM 1166 OXT GLY A 75 -16.266 4.773 -7.454 1.00 0.00 O ATOM 0 H GLY A 75 -13.620 5.950 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.353 5.256 -4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.818 6.376 -5.666 1.00 0.00 H new TER 1170 GLY A 75 HETATM 1171 ZN ZN A 98 -3.485 -4.421 -4.521 1.00 0.00 ZN HETATM 1172 ZN ZN A 99 8.690 2.851 -4.916 1.00 0.00 ZN