USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 808 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 42 CYS SG : rot 60:sc= -0.578 USER MOD Set 1.2: A 106 LYS NZ :NH3+ -177:sc= 0.836 (180deg=-0.17) USER MOD Set 2.1: A 31 ASN : amide:sc= -1.53! C(o=-2!,f=-6.5!) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.436 X(o=-2,f=-2.2) USER MOD Single : A 13 SER OG : rot 90:sc= 0.0572 USER MOD Single : A 16 LYS NZ :NH3+ 161:sc= 0.765 (180deg=0.116) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -137:sc= -1.58 (180deg=-4.32!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.982 USER MOD Single : A 28 GLN : amide:sc= -0.839 K(o=-0.84,f=-0.0017) USER MOD Single : A 30 MET CE :methyl -176:sc= -1.14 (180deg=-1.36) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= -0.0167 (180deg=-0.122) USER MOD Single : A 37 LYS NZ :NH3+ -146:sc= -1.95! (180deg=-3.66!) USER MOD Single : A 39 CYS SG : rot 69:sc= -0.609 USER MOD Single : A 40 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0032) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.464) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.204 (180deg=-0.978) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.13 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 76:sc= 0.832 USER MOD Single : A 61 LYS NZ :NH3+ -145:sc= 0.361 (180deg=-0.482) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 0.628 (180deg=0.214) USER MOD Single : A 65 LYS NZ :NH3+ -109:sc= -1.04 (180deg=-3.41!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.662 K(o=-0.66,f=-10!) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 76 LYS NZ :NH3+ 166:sc= 1.21 (180deg=0.996) USER MOD Single : A 77 LYS NZ :NH3+ -151:sc= 1.05 (180deg=-0.2!) USER MOD Single : A 84 THR OG1 : rot -9:sc= 0.654 USER MOD Single : A 85 LYS NZ :NH3+ -128:sc= 1.21 (180deg=-0.672) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -136:sc= 1.21 (180deg=0.828) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0395 USER MOD Single : A 92 LYS NZ :NH3+ -144:sc= 1.2 (180deg=-0.663) USER MOD Single : A 100 CYS SG : rot -130:sc= -3.94! USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 13.967 -0.088 0.831 1.00 0.00 N ATOM 78 CA ILE A 7 13.551 -1.411 1.318 1.00 0.00 C ATOM 79 C ILE A 7 13.132 -2.320 0.144 1.00 0.00 C ATOM 80 O ILE A 7 11.996 -2.262 -0.338 1.00 0.00 O ATOM 81 CB ILE A 7 12.388 -1.309 2.356 1.00 0.00 C ATOM 82 CG1 ILE A 7 12.852 -0.614 3.655 1.00 0.00 C ATOM 83 CG2 ILE A 7 11.817 -2.692 2.683 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.168 0.864 3.512 1.00 0.00 C ATOM 0 HA ILE A 7 14.412 -1.853 1.820 1.00 0.00 H new ATOM 0 HB ILE A 7 11.604 -0.704 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 7 12.076 -0.733 4.411 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.740 -1.126 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.009 -2.590 3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.432 -3.151 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.603 -3.320 3.102 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.485 1.263 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.968 0.996 2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.278 1.395 3.174 1.00 0.00 H new ATOM 96 N ALA A 8 14.068 -3.148 -0.318 1.00 0.00 N ATOM 97 CA ALA A 8 13.841 -4.033 -1.470 1.00 0.00 C ATOM 98 C ALA A 8 12.657 -4.989 -1.248 1.00 0.00 C ATOM 99 O ALA A 8 11.915 -5.292 -2.185 1.00 0.00 O ATOM 100 CB ALA A 8 15.109 -4.822 -1.776 1.00 0.00 C ATOM 0 H ALA A 8 15.000 -3.228 0.089 1.00 0.00 H new ATOM 0 HA ALA A 8 13.587 -3.403 -2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.934 -5.476 -2.631 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.920 -4.132 -2.008 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.381 -5.424 -0.909 1.00 0.00 H new ATOM 106 N GLY A 9 12.482 -5.449 -0.005 1.00 0.00 N ATOM 107 CA GLY A 9 11.377 -6.350 0.319 1.00 0.00 C ATOM 108 C GLY A 9 10.010 -5.774 -0.037 1.00 0.00 C ATOM 109 O GLY A 9 9.093 -6.517 -0.392 1.00 0.00 O ATOM 0 H GLY A 9 13.085 -5.214 0.784 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.517 -7.292 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.402 -6.577 1.385 1.00 0.00 H new ATOM 113 N LEU A 10 9.888 -4.446 0.045 1.00 0.00 N ATOM 114 CA LEU A 10 8.639 -3.751 -0.288 1.00 0.00 C ATOM 115 C LEU A 10 8.364 -3.790 -1.799 1.00 0.00 C ATOM 116 O LEU A 10 7.301 -4.214 -2.231 1.00 0.00 O ATOM 117 CB LEU A 10 8.697 -2.290 0.194 1.00 0.00 C ATOM 118 CG LEU A 10 7.419 -1.460 -0.033 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.235 -2.071 0.711 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.638 -0.011 0.395 1.00 0.00 C ATOM 0 H LEU A 10 10.643 -3.827 0.341 1.00 0.00 H new ATOM 0 HA LEU A 10 7.825 -4.267 0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.925 -2.287 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.525 -1.793 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 10 7.190 -1.472 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.344 -1.468 0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.063 -3.085 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.451 -2.097 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.725 0.560 0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.897 0.021 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.449 0.422 -0.190 1.00 0.00 H new ATOM 132 N GLU A 11 9.333 -3.351 -2.603 1.00 0.00 N ATOM 133 CA GLU A 11 9.166 -3.337 -4.063 1.00 0.00 C ATOM 134 C GLU A 11 8.993 -4.758 -4.625 1.00 0.00 C ATOM 135 O GLU A 11 8.200 -4.980 -5.539 1.00 0.00 O ATOM 136 CB GLU A 11 10.358 -2.640 -4.734 1.00 0.00 C ATOM 137 CG GLU A 11 10.252 -2.568 -6.257 1.00 0.00 C ATOM 138 CD GLU A 11 11.362 -1.744 -6.889 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.538 -2.155 -6.799 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.066 -0.679 -7.473 1.00 0.00 O ATOM 0 H GLU A 11 10.234 -3.003 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 11 8.258 -2.777 -4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.446 -1.629 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.273 -3.168 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.278 -3.578 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.288 -2.139 -6.529 1.00 0.00 H new ATOM 147 N GLU A 12 9.743 -5.713 -4.071 1.00 0.00 N ATOM 148 CA GLU A 12 9.603 -7.131 -4.440 1.00 0.00 C ATOM 149 C GLU A 12 8.170 -7.625 -4.201 1.00 0.00 C ATOM 150 O GLU A 12 7.507 -8.111 -5.121 1.00 0.00 O ATOM 151 CB GLU A 12 10.629 -7.982 -3.651 1.00 0.00 C ATOM 152 CG GLU A 12 10.172 -9.394 -3.239 1.00 0.00 C ATOM 153 CD GLU A 12 9.722 -10.290 -4.383 1.00 0.00 C ATOM 154 OE1 GLU A 12 10.500 -10.498 -5.337 1.00 0.00 O ATOM 155 OE2 GLU A 12 8.598 -10.827 -4.306 1.00 0.00 O ATOM 0 H GLU A 12 10.456 -5.534 -3.364 1.00 0.00 H new ATOM 0 HA GLU A 12 9.808 -7.238 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.531 -8.077 -4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.906 -7.435 -2.749 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.992 -9.885 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.351 -9.300 -2.528 1.00 0.00 H new ATOM 162 N SER A 13 7.693 -7.485 -2.972 1.00 0.00 N ATOM 163 CA SER A 13 6.366 -7.984 -2.601 1.00 0.00 C ATOM 164 C SER A 13 5.244 -7.200 -3.296 1.00 0.00 C ATOM 165 O SER A 13 4.296 -7.800 -3.795 1.00 0.00 O ATOM 166 CB SER A 13 6.199 -7.950 -1.084 1.00 0.00 C ATOM 167 OG SER A 13 7.062 -8.888 -0.455 1.00 0.00 O ATOM 0 H SER A 13 8.200 -7.031 -2.212 1.00 0.00 H new ATOM 0 HA SER A 13 6.289 -9.017 -2.941 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.414 -6.948 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.164 -8.171 -0.824 1.00 0.00 H new ATOM 0 HG SER A 13 7.920 -8.459 -0.253 1.00 0.00 H new ATOM 173 N PHE A 14 5.352 -5.869 -3.324 1.00 0.00 N ATOM 174 CA PHE A 14 4.436 -5.023 -4.113 1.00 0.00 C ATOM 175 C PHE A 14 4.320 -5.530 -5.558 1.00 0.00 C ATOM 176 O PHE A 14 3.219 -5.741 -6.075 1.00 0.00 O ATOM 177 CB PHE A 14 4.930 -3.564 -4.116 1.00 0.00 C ATOM 178 CG PHE A 14 4.230 -2.674 -5.119 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.017 -2.078 -4.815 1.00 0.00 C ATOM 180 CD2 PHE A 14 4.787 -2.442 -6.372 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.374 -1.271 -5.734 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.145 -1.637 -7.294 1.00 0.00 C ATOM 183 CZ PHE A 14 2.938 -1.051 -6.975 1.00 0.00 C ATOM 0 H PHE A 14 6.063 -5.348 -2.811 1.00 0.00 H new ATOM 0 HA PHE A 14 3.451 -5.073 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 14 4.795 -3.145 -3.119 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.000 -3.555 -4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.568 -2.246 -3.847 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.733 -2.896 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.430 -0.812 -5.481 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.588 -1.467 -8.264 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.435 -0.421 -7.694 1.00 0.00 H new ATOM 193 N ARG A 15 5.469 -5.720 -6.200 1.00 0.00 N ATOM 194 CA ARG A 15 5.525 -6.208 -7.575 1.00 0.00 C ATOM 195 C ARG A 15 4.881 -7.597 -7.688 1.00 0.00 C ATOM 196 O ARG A 15 4.099 -7.866 -8.602 1.00 0.00 O ATOM 197 CB ARG A 15 6.988 -6.265 -8.021 1.00 0.00 C ATOM 198 CG ARG A 15 7.181 -6.513 -9.507 1.00 0.00 C ATOM 199 CD ARG A 15 8.657 -6.624 -9.859 1.00 0.00 C ATOM 200 NE ARG A 15 8.868 -6.601 -11.304 1.00 0.00 N ATOM 201 CZ ARG A 15 9.449 -7.543 -11.993 1.00 0.00 C ATOM 202 NH1 ARG A 15 9.906 -8.609 -11.413 1.00 0.00 N ATOM 203 NH2 ARG A 15 9.568 -7.410 -13.274 1.00 0.00 N ATOM 0 H ARG A 15 6.383 -5.541 -5.785 1.00 0.00 H new ATOM 0 HA ARG A 15 4.968 -5.528 -8.220 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.473 -5.326 -7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.495 -7.054 -7.464 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.666 -7.429 -9.795 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.729 -5.700 -10.076 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.205 -5.802 -9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.062 -7.548 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 15 8.534 -5.783 -11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.813 -8.720 -10.403 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.358 -9.337 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.209 -6.574 -13.735 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.021 -8.141 -13.823 1.00 0.00 H new ATOM 217 N LYS A 16 5.206 -8.465 -6.733 1.00 0.00 N ATOM 218 CA LYS A 16 4.685 -9.834 -6.706 1.00 0.00 C ATOM 219 C LYS A 16 3.178 -9.840 -6.400 1.00 0.00 C ATOM 220 O LYS A 16 2.446 -10.741 -6.812 1.00 0.00 O ATOM 221 CB LYS A 16 5.459 -10.666 -5.661 1.00 0.00 C ATOM 222 CG LYS A 16 5.658 -12.129 -6.049 1.00 0.00 C ATOM 223 CD LYS A 16 6.443 -12.259 -7.357 1.00 0.00 C ATOM 224 CE LYS A 16 7.848 -11.660 -7.261 1.00 0.00 C ATOM 225 NZ LYS A 16 8.732 -12.438 -6.355 1.00 0.00 N ATOM 0 H LYS A 16 5.833 -8.244 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 16 4.826 -10.283 -7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.435 -10.209 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.926 -10.623 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.188 -12.649 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.688 -12.614 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.519 -13.312 -7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.894 -11.762 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.293 -11.622 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.779 -10.633 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.726 -12.209 -6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.516 -12.196 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.574 -13.455 -6.505 1.00 0.00 H new ATOM 239 N PHE A 17 2.722 -8.819 -5.677 1.00 0.00 N ATOM 240 CA PHE A 17 1.302 -8.664 -5.347 1.00 0.00 C ATOM 241 C PHE A 17 0.535 -8.098 -6.554 1.00 0.00 C ATOM 242 O PHE A 17 -0.629 -8.421 -6.776 1.00 0.00 O ATOM 243 CB PHE A 17 1.141 -7.733 -4.127 1.00 0.00 C ATOM 244 CG PHE A 17 0.104 -8.187 -3.129 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.236 -8.260 -3.476 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.475 -8.543 -1.839 1.00 0.00 C ATOM 247 CE1 PHE A 17 -2.182 -8.676 -2.557 1.00 0.00 C ATOM 248 CE2 PHE A 17 -0.467 -8.959 -0.921 1.00 0.00 C ATOM 249 CZ PHE A 17 -1.796 -9.026 -1.278 1.00 0.00 C ATOM 0 H PHE A 17 3.319 -8.080 -5.305 1.00 0.00 H new ATOM 0 HA PHE A 17 0.889 -9.642 -5.099 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.102 -7.648 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.877 -6.736 -4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.545 -7.989 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.515 -8.494 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.223 -8.727 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.162 -9.232 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.534 -9.351 -0.560 1.00 0.00 H new ATOM 259 N ALA A 18 1.208 -7.252 -7.332 1.00 0.00 N ATOM 260 CA ALA A 18 0.630 -6.677 -8.551 1.00 0.00 C ATOM 261 C ALA A 18 0.455 -7.742 -9.647 1.00 0.00 C ATOM 262 O ALA A 18 -0.539 -7.742 -10.375 1.00 0.00 O ATOM 263 CB ALA A 18 1.502 -5.530 -9.055 1.00 0.00 C ATOM 0 H ALA A 18 2.162 -6.946 -7.140 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.359 -6.290 -8.305 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.064 -5.110 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.564 -4.756 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.502 -5.903 -9.275 1.00 0.00 H new ATOM 269 N ILE A 19 1.422 -8.656 -9.751 1.00 0.00 N ATOM 270 CA ILE A 19 1.362 -9.751 -10.729 1.00 0.00 C ATOM 271 C ILE A 19 0.758 -11.017 -10.103 1.00 0.00 C ATOM 272 O ILE A 19 0.853 -12.105 -10.665 1.00 0.00 O ATOM 273 CB ILE A 19 2.767 -10.086 -11.300 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.697 -10.633 -10.203 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.379 -8.853 -11.957 1.00 0.00 C ATOM 276 CD1 ILE A 19 5.088 -10.980 -10.698 1.00 0.00 C ATOM 0 H ILE A 19 2.260 -8.662 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 19 0.724 -9.410 -11.544 1.00 0.00 H new ATOM 0 HB ILE A 19 2.650 -10.863 -12.055 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.779 -9.893 -9.407 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.244 -11.523 -9.766 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.364 -9.102 -12.353 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.736 -8.517 -12.770 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.476 -8.057 -11.218 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.685 -11.359 -9.869 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.018 -11.743 -11.473 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.561 -10.088 -11.108 1.00 0.00 H new ATOM 288 N HIS A 20 0.130 -10.857 -8.940 1.00 0.00 N ATOM 289 CA HIS A 20 -0.495 -11.975 -8.225 1.00 0.00 C ATOM 290 C HIS A 20 -1.466 -12.754 -9.134 1.00 0.00 C ATOM 291 O HIS A 20 -2.620 -12.361 -9.318 1.00 0.00 O ATOM 292 CB HIS A 20 -1.223 -11.448 -6.982 1.00 0.00 C ATOM 293 CG HIS A 20 -1.921 -12.502 -6.174 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.287 -12.685 -6.196 1.00 0.00 N ATOM 295 CD2 HIS A 20 -1.438 -13.427 -5.307 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.612 -13.663 -5.377 1.00 0.00 C ATOM 297 NE2 HIS A 20 -2.513 -14.129 -4.828 1.00 0.00 N ATOM 0 H HIS A 20 0.039 -9.958 -8.467 1.00 0.00 H new ATOM 0 HA HIS A 20 0.288 -12.668 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.502 -10.938 -6.344 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.955 -10.704 -7.294 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.402 -13.581 -5.044 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.613 -14.022 -5.188 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.467 -14.892 -4.153 1.00 0.00 H new ATOM 306 N GLY A 21 -0.979 -13.855 -9.701 1.00 0.00 N ATOM 307 CA GLY A 21 -1.767 -14.651 -10.637 1.00 0.00 C ATOM 308 C GLY A 21 -1.109 -14.767 -12.009 1.00 0.00 C ATOM 309 O GLY A 21 -1.185 -15.815 -12.660 1.00 0.00 O ATOM 0 H GLY A 21 -0.041 -14.216 -9.528 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.915 -15.649 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.754 -14.202 -10.748 1.00 0.00 H new ATOM 313 N ASP A 22 -0.456 -13.690 -12.440 1.00 0.00 N ATOM 314 CA ASP A 22 0.201 -13.631 -13.753 1.00 0.00 C ATOM 315 C ASP A 22 1.709 -13.333 -13.630 1.00 0.00 C ATOM 316 O ASP A 22 2.121 -12.171 -13.628 1.00 0.00 O ATOM 317 CB ASP A 22 -0.465 -12.558 -14.621 1.00 0.00 C ATOM 318 CG ASP A 22 -1.920 -12.870 -14.905 1.00 0.00 C ATOM 319 OD1 ASP A 22 -2.198 -13.567 -15.904 1.00 0.00 O ATOM 320 OD2 ASP A 22 -2.794 -12.426 -14.128 1.00 0.00 O ATOM 0 H ASP A 22 -0.365 -12.833 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 22 0.091 -14.610 -14.220 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.394 -11.593 -14.120 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.076 -12.469 -15.563 1.00 0.00 H new ATOM 325 N PRO A 23 2.557 -14.376 -13.548 1.00 0.00 N ATOM 326 CA PRO A 23 4.016 -14.203 -13.389 1.00 0.00 C ATOM 327 C PRO A 23 4.716 -13.669 -14.658 1.00 0.00 C ATOM 328 O PRO A 23 5.924 -13.420 -14.652 1.00 0.00 O ATOM 329 CB PRO A 23 4.494 -15.627 -13.060 1.00 0.00 C ATOM 330 CG PRO A 23 3.493 -16.516 -13.717 1.00 0.00 C ATOM 331 CD PRO A 23 2.172 -15.804 -13.597 1.00 0.00 C ATOM 0 HA PRO A 23 4.254 -13.460 -12.627 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.498 -15.808 -13.444 1.00 0.00 H new ATOM 0 HB3 PRO A 23 4.529 -15.796 -11.984 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.750 -16.690 -14.762 1.00 0.00 H new ATOM 0 HG3 PRO A 23 3.457 -17.491 -13.231 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.522 -16.016 -14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.633 -16.106 -12.699 1.00 0.00 H new ATOM 339 N LYS A 24 3.955 -13.488 -15.739 1.00 0.00 N ATOM 340 CA LYS A 24 4.512 -13.013 -17.017 1.00 0.00 C ATOM 341 C LYS A 24 4.527 -11.475 -17.107 1.00 0.00 C ATOM 342 O LYS A 24 5.081 -10.904 -18.047 1.00 0.00 O ATOM 343 CB LYS A 24 3.716 -13.613 -18.187 1.00 0.00 C ATOM 344 CG LYS A 24 3.776 -15.140 -18.239 1.00 0.00 C ATOM 345 CD LYS A 24 2.924 -15.730 -19.366 1.00 0.00 C ATOM 346 CE LYS A 24 3.493 -15.445 -20.758 1.00 0.00 C ATOM 347 NZ LYS A 24 3.329 -14.023 -21.164 1.00 0.00 N ATOM 0 H LYS A 24 2.950 -13.662 -15.760 1.00 0.00 H new ATOM 0 HA LYS A 24 5.548 -13.347 -17.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.675 -13.300 -18.108 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.100 -13.209 -19.124 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.812 -15.454 -18.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.439 -15.545 -17.285 1.00 0.00 H new ATOM 0 HD2 LYS A 24 2.843 -16.808 -19.226 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.915 -15.323 -19.302 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.552 -15.703 -20.773 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.998 -16.086 -21.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.020 -13.979 -22.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.616 -13.569 -20.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.237 -13.526 -21.062 1.00 0.00 H new ATOM 361 N ALA A 25 3.923 -10.812 -16.123 1.00 0.00 N ATOM 362 CA ALA A 25 3.904 -9.344 -16.075 1.00 0.00 C ATOM 363 C ALA A 25 5.064 -8.797 -15.225 1.00 0.00 C ATOM 364 O ALA A 25 5.606 -9.504 -14.374 1.00 0.00 O ATOM 365 CB ALA A 25 2.567 -8.850 -15.528 1.00 0.00 C ATOM 0 H ALA A 25 3.439 -11.264 -15.347 1.00 0.00 H new ATOM 0 HA ALA A 25 4.030 -8.973 -17.092 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.566 -7.760 -15.498 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.760 -9.195 -16.174 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.419 -9.241 -14.521 1.00 0.00 H new ATOM 371 N SER A 26 5.447 -7.538 -15.457 1.00 0.00 N ATOM 372 CA SER A 26 6.513 -6.902 -14.664 1.00 0.00 C ATOM 373 C SER A 26 5.933 -6.231 -13.411 1.00 0.00 C ATOM 374 O SER A 26 6.654 -5.930 -12.464 1.00 0.00 O ATOM 375 CB SER A 26 7.288 -5.869 -15.496 1.00 0.00 C ATOM 376 OG SER A 26 8.390 -5.345 -14.768 1.00 0.00 O ATOM 0 H SER A 26 5.042 -6.941 -16.178 1.00 0.00 H new ATOM 0 HA SER A 26 7.205 -7.687 -14.358 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.644 -6.332 -16.416 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.621 -5.057 -15.786 1.00 0.00 H new ATOM 0 HG SER A 26 8.867 -4.691 -15.321 1.00 0.00 H new ATOM 382 N GLY A 27 4.628 -5.976 -13.434 1.00 0.00 N ATOM 383 CA GLY A 27 3.917 -5.528 -12.239 1.00 0.00 C ATOM 384 C GLY A 27 4.348 -4.172 -11.684 1.00 0.00 C ATOM 385 O GLY A 27 4.724 -4.068 -10.515 1.00 0.00 O ATOM 0 H GLY A 27 4.042 -6.071 -14.264 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.852 -5.485 -12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.047 -6.278 -11.458 1.00 0.00 H new ATOM 389 N GLN A 28 4.287 -3.129 -12.505 1.00 0.00 N ATOM 390 CA GLN A 28 4.465 -1.759 -12.008 1.00 0.00 C ATOM 391 C GLN A 28 3.090 -1.114 -11.753 1.00 0.00 C ATOM 392 O GLN A 28 2.984 -0.032 -11.177 1.00 0.00 O ATOM 393 CB GLN A 28 5.283 -0.924 -13.007 1.00 0.00 C ATOM 394 CG GLN A 28 5.643 0.474 -12.501 1.00 0.00 C ATOM 395 CD GLN A 28 6.533 1.264 -13.453 1.00 0.00 C ATOM 396 OE1 GLN A 28 6.448 2.486 -13.525 1.00 0.00 O ATOM 397 NE2 GLN A 28 7.410 0.586 -14.169 1.00 0.00 N ATOM 0 H GLN A 28 4.118 -3.199 -13.508 1.00 0.00 H new ATOM 0 HA GLN A 28 5.016 -1.792 -11.068 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.201 -1.460 -13.247 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.718 -0.829 -13.934 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.725 1.035 -12.328 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.147 0.383 -11.539 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.458 -0.430 -14.088 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.040 1.078 -14.803 1.00 0.00 H new ATOM 406 N GLU A 29 2.039 -1.814 -12.184 1.00 0.00 N ATOM 407 CA GLU A 29 0.656 -1.355 -12.023 1.00 0.00 C ATOM 408 C GLU A 29 -0.127 -2.258 -11.053 1.00 0.00 C ATOM 409 O GLU A 29 -0.408 -3.417 -11.366 1.00 0.00 O ATOM 410 CB GLU A 29 -0.051 -1.356 -13.385 1.00 0.00 C ATOM 411 CG GLU A 29 0.574 -0.432 -14.424 1.00 0.00 C ATOM 412 CD GLU A 29 -0.168 -0.467 -15.754 1.00 0.00 C ATOM 413 OE1 GLU A 29 -0.015 -1.458 -16.497 1.00 0.00 O ATOM 414 OE2 GLU A 29 -0.912 0.489 -16.058 1.00 0.00 O ATOM 0 H GLU A 29 2.121 -2.715 -12.655 1.00 0.00 H new ATOM 0 HA GLU A 29 0.685 -0.346 -11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.054 -2.373 -13.777 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.092 -1.067 -13.240 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.580 0.589 -14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.613 -0.719 -14.583 1.00 0.00 H new ATOM 421 N MET A 30 -0.483 -1.734 -9.883 1.00 0.00 N ATOM 422 CA MET A 30 -1.306 -2.482 -8.923 1.00 0.00 C ATOM 423 C MET A 30 -2.784 -2.072 -9.007 1.00 0.00 C ATOM 424 O MET A 30 -3.116 -0.885 -9.032 1.00 0.00 O ATOM 425 CB MET A 30 -0.785 -2.296 -7.489 1.00 0.00 C ATOM 426 CG MET A 30 -1.698 -2.896 -6.421 1.00 0.00 C ATOM 427 SD MET A 30 -0.937 -2.947 -4.787 1.00 0.00 S ATOM 428 CE MET A 30 0.326 -4.190 -5.037 1.00 0.00 C ATOM 0 H MET A 30 -0.218 -0.799 -9.573 1.00 0.00 H new ATOM 0 HA MET A 30 -1.232 -3.537 -9.187 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.202 -2.752 -7.408 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.661 -1.231 -7.292 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.618 -2.313 -6.369 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.977 -3.907 -6.717 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.836 -4.385 -4.094 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.135 -5.110 -5.397 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.047 -3.833 -5.773 1.00 0.00 H new ATOM 438 N ASN A 31 -3.666 -3.068 -9.043 1.00 0.00 N ATOM 439 CA ASN A 31 -5.112 -2.834 -9.116 1.00 0.00 C ATOM 440 C ASN A 31 -5.726 -2.656 -7.718 1.00 0.00 C ATOM 441 O ASN A 31 -5.178 -3.130 -6.719 1.00 0.00 O ATOM 442 CB ASN A 31 -5.795 -3.997 -9.856 1.00 0.00 C ATOM 443 CG ASN A 31 -5.466 -5.356 -9.257 1.00 0.00 C ATOM 444 OD1 ASN A 31 -4.406 -5.556 -8.674 1.00 0.00 O ATOM 445 ND2 ASN A 31 -6.365 -6.306 -9.411 1.00 0.00 N ATOM 0 H ASN A 31 -3.405 -4.054 -9.023 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.277 -1.909 -9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.875 -3.849 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.490 -3.984 -10.902 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -6.189 -7.240 -9.040 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.237 -6.108 -9.901 1.00 0.00 H new ATOM 452 N GLY A 32 -6.877 -1.988 -7.661 1.00 0.00 N ATOM 453 CA GLY A 32 -7.562 -1.756 -6.391 1.00 0.00 C ATOM 454 C GLY A 32 -7.908 -3.046 -5.649 1.00 0.00 C ATOM 455 O GLY A 32 -7.988 -3.062 -4.419 1.00 0.00 O ATOM 0 H GLY A 32 -7.353 -1.600 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.932 -1.136 -5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.478 -1.195 -6.577 1.00 0.00 H new ATOM 459 N LYS A 33 -8.106 -4.130 -6.402 1.00 0.00 N ATOM 460 CA LYS A 33 -8.379 -5.448 -5.815 1.00 0.00 C ATOM 461 C LYS A 33 -7.250 -5.882 -4.864 1.00 0.00 C ATOM 462 O LYS A 33 -7.474 -6.108 -3.671 1.00 0.00 O ATOM 463 CB LYS A 33 -8.552 -6.499 -6.925 1.00 0.00 C ATOM 464 CG LYS A 33 -9.734 -6.249 -7.857 1.00 0.00 C ATOM 465 CD LYS A 33 -11.065 -6.199 -7.110 1.00 0.00 C ATOM 466 CE LYS A 33 -12.247 -6.082 -8.069 1.00 0.00 C ATOM 467 NZ LYS A 33 -12.140 -4.889 -8.954 1.00 0.00 N ATOM 0 H LYS A 33 -8.083 -4.123 -7.422 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.302 -5.371 -5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.639 -6.535 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.671 -7.479 -6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.583 -5.309 -8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.772 -7.036 -8.610 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.176 -7.098 -6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.066 -5.351 -6.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.306 -6.982 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.173 -6.025 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -13.017 -4.784 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.991 -4.039 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.337 -5.010 -9.604 1.00 0.00 H new ATOM 481 N ASN A 34 -6.037 -5.981 -5.401 1.00 0.00 N ATOM 482 CA ASN A 34 -4.868 -6.390 -4.617 1.00 0.00 C ATOM 483 C ASN A 34 -4.531 -5.371 -3.518 1.00 0.00 C ATOM 484 O ASN A 34 -4.159 -5.751 -2.410 1.00 0.00 O ATOM 485 CB ASN A 34 -3.668 -6.596 -5.547 1.00 0.00 C ATOM 486 CG ASN A 34 -3.802 -7.855 -6.385 1.00 0.00 C ATOM 487 OD1 ASN A 34 -4.333 -8.862 -5.933 1.00 0.00 O ATOM 488 ND2 ASN A 34 -3.342 -7.807 -7.616 1.00 0.00 N ATOM 0 H ASN A 34 -5.834 -5.783 -6.381 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.107 -7.331 -4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.568 -5.733 -6.205 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.756 -6.652 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -3.423 -8.623 -8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.905 -6.954 -7.964 1.00 0.00 H new ATOM 495 N TRP A 35 -4.670 -4.085 -3.831 1.00 0.00 N ATOM 496 CA TRP A 35 -4.434 -3.010 -2.852 1.00 0.00 C ATOM 497 C TRP A 35 -5.308 -3.181 -1.591 1.00 0.00 C ATOM 498 O TRP A 35 -4.811 -3.119 -0.461 1.00 0.00 O ATOM 499 CB TRP A 35 -4.699 -1.647 -3.516 1.00 0.00 C ATOM 500 CG TRP A 35 -4.819 -0.492 -2.556 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.940 0.249 -2.306 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.787 0.049 -1.721 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.667 1.220 -1.376 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.354 1.117 -0.998 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.441 -0.263 -1.513 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.621 1.870 -0.084 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.716 0.486 -0.605 1.00 0.00 C ATOM 508 CH2 TRP A 35 -2.306 1.543 0.098 1.00 0.00 C ATOM 0 H TRP A 35 -4.945 -3.754 -4.756 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.394 -3.062 -2.529 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.891 -1.437 -4.217 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.618 -1.714 -4.099 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.901 0.093 -2.773 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.333 1.907 -1.023 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.975 -1.075 -2.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -4.075 2.684 0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.676 0.251 -0.435 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.711 2.111 0.798 1.00 0.00 H new ATOM 519 N ALA A 36 -6.608 -3.404 -1.787 1.00 0.00 N ATOM 520 CA ALA A 36 -7.536 -3.611 -0.668 1.00 0.00 C ATOM 521 C ALA A 36 -7.170 -4.861 0.153 1.00 0.00 C ATOM 522 O ALA A 36 -7.115 -4.823 1.389 1.00 0.00 O ATOM 523 CB ALA A 36 -8.965 -3.712 -1.191 1.00 0.00 C ATOM 0 H ALA A 36 -7.045 -3.446 -2.708 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.458 -2.752 -0.002 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.648 -3.866 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.228 -2.791 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.041 -4.552 -1.881 1.00 0.00 H new ATOM 529 N LYS A 37 -6.910 -5.971 -0.538 1.00 0.00 N ATOM 530 CA LYS A 37 -6.537 -7.219 0.120 1.00 0.00 C ATOM 531 C LYS A 37 -5.157 -7.106 0.795 1.00 0.00 C ATOM 532 O LYS A 37 -4.901 -7.752 1.809 1.00 0.00 O ATOM 533 CB LYS A 37 -6.544 -8.358 -0.906 1.00 0.00 C ATOM 534 CG LYS A 37 -7.889 -8.546 -1.606 1.00 0.00 C ATOM 535 CD LYS A 37 -7.902 -9.745 -2.559 1.00 0.00 C ATOM 536 CE LYS A 37 -8.043 -11.081 -1.822 1.00 0.00 C ATOM 537 NZ LYS A 37 -6.870 -11.396 -0.961 1.00 0.00 N ATOM 0 H LYS A 37 -6.952 -6.029 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.266 -7.432 0.902 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.778 -8.164 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.272 -9.287 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.669 -8.676 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.132 -7.642 -2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.725 -9.635 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.981 -9.751 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.943 -11.057 -1.207 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.177 -11.880 -2.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.709 -12.424 -0.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.026 -10.916 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.054 -11.069 0.009 1.00 0.00 H new ATOM 551 N LEU A 38 -4.287 -6.271 0.229 1.00 0.00 N ATOM 552 CA LEU A 38 -2.948 -6.022 0.781 1.00 0.00 C ATOM 553 C LEU A 38 -3.062 -5.398 2.181 1.00 0.00 C ATOM 554 O LEU A 38 -2.425 -5.851 3.136 1.00 0.00 O ATOM 555 CB LEU A 38 -2.167 -5.091 -0.172 1.00 0.00 C ATOM 556 CG LEU A 38 -0.629 -5.080 -0.032 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.010 -4.351 -1.211 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.182 -4.440 1.283 1.00 0.00 C ATOM 0 H LEU A 38 -4.486 -5.747 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.409 -6.965 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.413 -5.371 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.529 -4.073 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.296 -6.118 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.094 -4.353 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.257 -4.856 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.350 -3.323 -1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.906 -4.452 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.536 -3.410 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.597 -5.001 2.120 1.00 0.00 H new ATOM 570 N CYS A 39 -3.885 -4.358 2.290 1.00 0.00 N ATOM 571 CA CYS A 39 -4.122 -3.683 3.570 1.00 0.00 C ATOM 572 C CYS A 39 -4.672 -4.657 4.626 1.00 0.00 C ATOM 573 O CYS A 39 -4.228 -4.661 5.775 1.00 0.00 O ATOM 574 CB CYS A 39 -5.095 -2.509 3.385 1.00 0.00 C ATOM 575 SG CYS A 39 -4.506 -1.231 2.247 1.00 0.00 S ATOM 0 H CYS A 39 -4.402 -3.961 1.506 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.164 -3.303 3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.047 -2.895 3.020 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.287 -2.054 4.357 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.488 -1.703 1.036 1.00 0.00 H new ATOM 581 N LYS A 40 -5.634 -5.488 4.223 1.00 0.00 N ATOM 582 CA LYS A 40 -6.232 -6.484 5.126 1.00 0.00 C ATOM 583 C LYS A 40 -5.231 -7.612 5.463 1.00 0.00 C ATOM 584 O LYS A 40 -5.225 -8.145 6.577 1.00 0.00 O ATOM 585 CB LYS A 40 -7.509 -7.057 4.491 1.00 0.00 C ATOM 586 CG LYS A 40 -8.331 -7.949 5.422 1.00 0.00 C ATOM 587 CD LYS A 40 -9.707 -8.259 4.832 1.00 0.00 C ATOM 588 CE LYS A 40 -10.558 -9.117 5.766 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.033 -10.501 5.889 1.00 0.00 N ATOM 0 H LYS A 40 -6.019 -5.495 3.278 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.491 -5.991 6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.135 -6.231 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.234 -7.631 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.794 -8.880 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.450 -7.457 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.229 -7.325 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.584 -8.775 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.592 -8.654 6.752 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.582 -9.150 5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.660 -11.057 6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.993 -10.942 4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.078 -10.475 6.300 1.00 0.00 H new ATOM 603 N ASP A 41 -4.374 -7.953 4.501 1.00 0.00 N ATOM 604 CA ASP A 41 -3.328 -8.969 4.703 1.00 0.00 C ATOM 605 C ASP A 41 -2.318 -8.510 5.771 1.00 0.00 C ATOM 606 O ASP A 41 -1.851 -9.299 6.595 1.00 0.00 O ATOM 607 CB ASP A 41 -2.602 -9.233 3.375 1.00 0.00 C ATOM 608 CG ASP A 41 -1.709 -10.464 3.415 1.00 0.00 C ATOM 609 OD1 ASP A 41 -0.798 -10.532 4.271 1.00 0.00 O ATOM 610 OD2 ASP A 41 -1.908 -11.373 2.586 1.00 0.00 O ATOM 0 H ASP A 41 -4.380 -7.541 3.568 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.799 -9.889 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.340 -9.353 2.582 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.998 -8.362 3.119 1.00 0.00 H new ATOM 615 N CYS A 42 -1.999 -7.221 5.752 1.00 0.00 N ATOM 616 CA CYS A 42 -1.015 -6.642 6.676 1.00 0.00 C ATOM 617 C CYS A 42 -1.707 -5.952 7.854 1.00 0.00 C ATOM 618 O CYS A 42 -1.053 -5.388 8.726 1.00 0.00 O ATOM 619 CB CYS A 42 -0.111 -5.649 5.939 1.00 0.00 C ATOM 620 SG CYS A 42 0.717 -6.349 4.490 1.00 0.00 S ATOM 0 H CYS A 42 -2.408 -6.548 5.104 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.402 -7.454 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.708 -4.792 5.626 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.643 -5.276 6.632 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.174 -6.765 3.640 1.00 0.00 H new ATOM 626 N LYS A 43 -3.040 -6.006 7.850 1.00 0.00 N ATOM 627 CA LYS A 43 -3.868 -5.470 8.938 1.00 0.00 C ATOM 628 C LYS A 43 -3.639 -3.968 9.160 1.00 0.00 C ATOM 629 O LYS A 43 -3.767 -3.462 10.273 1.00 0.00 O ATOM 630 CB LYS A 43 -3.650 -6.263 10.237 1.00 0.00 C ATOM 631 CG LYS A 43 -4.102 -7.722 10.142 1.00 0.00 C ATOM 632 CD LYS A 43 -3.072 -8.606 9.441 1.00 0.00 C ATOM 633 CE LYS A 43 -3.581 -10.028 9.254 1.00 0.00 C ATOM 634 NZ LYS A 43 -4.833 -10.078 8.448 1.00 0.00 N ATOM 0 H LYS A 43 -3.580 -6.423 7.092 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.908 -5.589 8.635 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.592 -6.234 10.498 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.192 -5.775 11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.286 -8.108 11.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.048 -7.772 9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.826 -8.177 8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.151 -8.623 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.812 -10.626 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.761 -10.478 10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.040 -11.064 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.621 -9.694 9.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.713 -9.511 7.584 1.00 0.00 H new ATOM 648 N VAL A 44 -3.317 -3.256 8.082 1.00 0.00 N ATOM 649 CA VAL A 44 -3.283 -1.793 8.117 1.00 0.00 C ATOM 650 C VAL A 44 -4.714 -1.253 8.233 1.00 0.00 C ATOM 651 O VAL A 44 -4.975 -0.266 8.921 1.00 0.00 O ATOM 652 CB VAL A 44 -2.601 -1.201 6.860 1.00 0.00 C ATOM 653 CG1 VAL A 44 -2.450 0.312 6.996 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.246 -1.867 6.620 1.00 0.00 C ATOM 0 H VAL A 44 -3.077 -3.664 7.178 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.695 -1.491 8.984 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.234 -1.402 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.969 0.711 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.434 0.767 7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.840 0.540 7.870 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.782 -1.438 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.601 -1.701 7.483 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.388 -2.938 6.474 1.00 0.00 H new ATOM 664 N ALA A 45 -5.641 -1.923 7.550 1.00 0.00 N ATOM 665 CA ALA A 45 -7.068 -1.673 7.744 1.00 0.00 C ATOM 666 C ALA A 45 -7.560 -2.445 8.971 1.00 0.00 C ATOM 667 O ALA A 45 -8.060 -3.570 8.862 1.00 0.00 O ATOM 668 CB ALA A 45 -7.872 -2.065 6.511 1.00 0.00 C ATOM 0 H ALA A 45 -5.430 -2.642 6.858 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.214 -0.605 7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.929 -1.867 6.688 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.532 -1.483 5.655 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.731 -3.126 6.307 1.00 0.00 H new ATOM 674 N ASP A 46 -7.399 -1.833 10.135 1.00 0.00 N ATOM 675 CA ASP A 46 -7.638 -2.502 11.411 1.00 0.00 C ATOM 676 C ASP A 46 -7.616 -1.474 12.548 1.00 0.00 C ATOM 677 O ASP A 46 -6.607 -1.299 13.233 1.00 0.00 O ATOM 678 CB ASP A 46 -6.578 -3.597 11.632 1.00 0.00 C ATOM 679 CG ASP A 46 -6.748 -4.355 12.937 1.00 0.00 C ATOM 680 OD1 ASP A 46 -7.641 -5.225 13.014 1.00 0.00 O ATOM 681 OD2 ASP A 46 -5.981 -4.091 13.888 1.00 0.00 O ATOM 0 H ASP A 46 -7.100 -0.862 10.225 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.620 -2.975 11.398 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.620 -4.304 10.803 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.588 -3.141 11.613 1.00 0.00 H new ATOM 686 N GLY A 47 -8.718 -0.749 12.693 1.00 0.00 N ATOM 687 CA GLY A 47 -8.808 0.268 13.732 1.00 0.00 C ATOM 688 C GLY A 47 -10.170 0.944 13.801 1.00 0.00 C ATOM 689 O GLY A 47 -10.256 2.151 14.040 1.00 0.00 O ATOM 0 H GLY A 47 -9.551 -0.844 12.113 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.588 -0.189 14.697 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.044 1.025 13.556 1.00 0.00 H new ATOM 693 N LYS A 48 -11.239 0.169 13.579 1.00 0.00 N ATOM 694 CA LYS A 48 -12.614 0.674 13.647 1.00 0.00 C ATOM 695 C LYS A 48 -12.835 1.959 12.822 1.00 0.00 C ATOM 696 O LYS A 48 -13.857 2.632 12.971 1.00 0.00 O ATOM 697 CB LYS A 48 -12.967 0.919 15.110 1.00 0.00 C ATOM 698 CG LYS A 48 -12.758 -0.305 15.995 1.00 0.00 C ATOM 699 CD LYS A 48 -12.996 0.012 17.468 1.00 0.00 C ATOM 700 CE LYS A 48 -14.295 0.783 17.663 1.00 0.00 C ATOM 701 NZ LYS A 48 -14.091 2.264 17.641 1.00 0.00 N ATOM 0 H LYS A 48 -11.175 -0.822 13.348 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.268 -0.080 13.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.360 1.741 15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.008 1.234 15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.434 -1.100 15.681 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.743 -0.679 15.863 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.031 -0.915 18.041 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.162 0.596 17.856 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.000 0.505 16.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.745 0.496 18.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.478 2.681 18.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.074 2.473 17.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.579 2.669 16.817 1.00 0.00 H new ATOM 715 N SER A 49 -11.892 2.275 11.938 1.00 0.00 N ATOM 716 CA SER A 49 -11.940 3.523 11.163 1.00 0.00 C ATOM 717 C SER A 49 -11.255 3.339 9.808 1.00 0.00 C ATOM 718 O SER A 49 -11.874 3.511 8.759 1.00 0.00 O ATOM 719 CB SER A 49 -11.265 4.671 11.932 1.00 0.00 C ATOM 720 OG SER A 49 -11.876 4.885 13.197 1.00 0.00 O ATOM 0 H SER A 49 -11.083 1.687 11.737 1.00 0.00 H new ATOM 0 HA SER A 49 -12.988 3.777 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.208 4.444 12.072 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.319 5.586 11.342 1.00 0.00 H new ATOM 0 HG SER A 49 -11.422 5.620 13.660 1.00 0.00 H new ATOM 726 N VAL A 50 -9.968 2.994 9.837 1.00 0.00 N ATOM 727 CA VAL A 50 -9.246 2.636 8.616 1.00 0.00 C ATOM 728 C VAL A 50 -9.781 1.308 8.068 1.00 0.00 C ATOM 729 O VAL A 50 -9.336 0.232 8.469 1.00 0.00 O ATOM 730 CB VAL A 50 -7.719 2.517 8.863 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.975 2.255 7.550 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.191 3.771 9.556 1.00 0.00 C ATOM 0 H VAL A 50 -9.406 2.955 10.687 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.408 3.433 7.890 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.540 1.667 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.906 2.175 7.747 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.333 1.325 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.156 3.078 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.118 3.671 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.381 4.641 8.928 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.696 3.897 10.514 1.00 0.00 H new ATOM 742 N THR A 51 -10.786 1.394 7.203 1.00 0.00 N ATOM 743 CA THR A 51 -11.429 0.204 6.623 1.00 0.00 C ATOM 744 C THR A 51 -11.501 0.305 5.095 1.00 0.00 C ATOM 745 O THR A 51 -10.923 1.220 4.505 1.00 0.00 O ATOM 746 CB THR A 51 -12.864 0.010 7.178 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.706 1.089 6.744 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.867 -0.056 8.706 1.00 0.00 C ATOM 0 H THR A 51 -11.180 2.278 6.882 1.00 0.00 H new ATOM 0 HA THR A 51 -10.817 -0.653 6.903 1.00 0.00 H new ATOM 0 HB THR A 51 -13.246 -0.936 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.611 0.960 7.096 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.888 -0.192 9.062 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.253 -0.894 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.462 0.871 9.111 1.00 0.00 H new ATOM 756 N GLY A 52 -12.226 -0.626 4.462 1.00 0.00 N ATOM 757 CA GLY A 52 -12.335 -0.648 3.003 1.00 0.00 C ATOM 758 C GLY A 52 -12.667 0.714 2.391 1.00 0.00 C ATOM 759 O GLY A 52 -12.170 1.054 1.314 1.00 0.00 O ATOM 0 H GLY A 52 -12.741 -1.368 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.395 -1.006 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.106 -1.363 2.716 1.00 0.00 H new ATOM 763 N THR A 53 -13.508 1.499 3.069 1.00 0.00 N ATOM 764 CA THR A 53 -13.862 2.841 2.582 1.00 0.00 C ATOM 765 C THR A 53 -12.635 3.770 2.557 1.00 0.00 C ATOM 766 O THR A 53 -12.271 4.292 1.504 1.00 0.00 O ATOM 767 CB THR A 53 -15.006 3.493 3.411 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.236 4.835 2.962 1.00 0.00 O ATOM 769 CG2 THR A 53 -14.699 3.501 4.908 1.00 0.00 C ATOM 0 H THR A 53 -13.954 1.235 3.948 1.00 0.00 H new ATOM 0 HA THR A 53 -14.226 2.709 1.563 1.00 0.00 H new ATOM 0 HB THR A 53 -15.901 2.890 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.958 5.237 3.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.525 3.965 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.568 2.477 5.258 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.785 4.066 5.089 1.00 0.00 H new ATOM 777 N ASP A 54 -11.962 3.926 3.702 1.00 0.00 N ATOM 778 CA ASP A 54 -10.803 4.825 3.806 1.00 0.00 C ATOM 779 C ASP A 54 -9.661 4.361 2.885 1.00 0.00 C ATOM 780 O ASP A 54 -9.002 5.173 2.230 1.00 0.00 O ATOM 781 CB ASP A 54 -10.318 4.899 5.263 1.00 0.00 C ATOM 782 CG ASP A 54 -9.371 6.067 5.498 1.00 0.00 C ATOM 783 OD1 ASP A 54 -9.862 7.186 5.780 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.143 5.884 5.394 1.00 0.00 O ATOM 0 H ASP A 54 -12.198 3.443 4.569 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.113 5.820 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.178 4.993 5.926 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.815 3.968 5.524 1.00 0.00 H new ATOM 789 N VAL A 55 -9.454 3.046 2.824 1.00 0.00 N ATOM 790 CA VAL A 55 -8.449 2.453 1.938 1.00 0.00 C ATOM 791 C VAL A 55 -8.757 2.752 0.458 1.00 0.00 C ATOM 792 O VAL A 55 -7.844 2.897 -0.361 1.00 0.00 O ATOM 793 CB VAL A 55 -8.349 0.917 2.161 1.00 0.00 C ATOM 794 CG1 VAL A 55 -7.346 0.281 1.198 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.972 0.611 3.612 1.00 0.00 C ATOM 0 H VAL A 55 -9.972 2.366 3.381 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.490 2.907 2.186 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.328 0.483 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.299 -0.793 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.662 0.462 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.361 0.719 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.906 -0.468 3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.008 1.066 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.733 1.017 4.279 1.00 0.00 H new ATOM 805 N ASP A 56 -10.042 2.876 0.124 1.00 0.00 N ATOM 806 CA ASP A 56 -10.445 3.180 -1.254 1.00 0.00 C ATOM 807 C ASP A 56 -10.334 4.690 -1.500 1.00 0.00 C ATOM 808 O ASP A 56 -10.050 5.139 -2.612 1.00 0.00 O ATOM 809 CB ASP A 56 -11.874 2.688 -1.516 1.00 0.00 C ATOM 810 CG ASP A 56 -12.235 2.695 -2.994 1.00 0.00 C ATOM 811 OD1 ASP A 56 -11.822 1.760 -3.714 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.942 3.623 -3.444 1.00 0.00 O ATOM 0 H ASP A 56 -10.816 2.772 0.780 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.780 2.661 -1.945 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.983 1.677 -1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.577 3.319 -0.971 1.00 0.00 H new ATOM 817 N ILE A 57 -10.549 5.462 -0.438 1.00 0.00 N ATOM 818 CA ILE A 57 -10.364 6.914 -0.462 1.00 0.00 C ATOM 819 C ILE A 57 -8.908 7.275 -0.784 1.00 0.00 C ATOM 820 O ILE A 57 -8.646 8.056 -1.697 1.00 0.00 O ATOM 821 CB ILE A 57 -10.761 7.538 0.896 1.00 0.00 C ATOM 822 CG1 ILE A 57 -12.235 7.228 1.205 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.502 9.048 0.907 1.00 0.00 C ATOM 824 CD1 ILE A 57 -13.228 8.102 0.464 1.00 0.00 C ATOM 0 H ILE A 57 -10.857 5.100 0.465 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.009 7.317 -1.243 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.141 7.095 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.433 6.185 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.400 7.340 2.277 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.790 9.460 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.443 9.237 0.734 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.088 9.523 0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.243 7.815 0.741 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.061 9.146 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -13.095 7.973 -0.610 1.00 0.00 H new ATOM 836 N VAL A 58 -7.964 6.698 -0.034 1.00 0.00 N ATOM 837 CA VAL A 58 -6.534 6.902 -0.300 1.00 0.00 C ATOM 838 C VAL A 58 -6.170 6.452 -1.726 1.00 0.00 C ATOM 839 O VAL A 58 -5.434 7.140 -2.440 1.00 0.00 O ATOM 840 CB VAL A 58 -5.647 6.145 0.720 1.00 0.00 C ATOM 841 CG1 VAL A 58 -4.165 6.394 0.437 1.00 0.00 C ATOM 842 CG2 VAL A 58 -6.004 6.549 2.150 1.00 0.00 C ATOM 0 H VAL A 58 -8.162 6.088 0.759 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.343 7.970 -0.199 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.837 5.077 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.560 5.853 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.923 6.046 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.955 7.461 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.370 6.006 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.848 7.621 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.049 6.309 2.346 1.00 0.00 H new ATOM 852 N PHE A 59 -6.708 5.304 -2.139 1.00 0.00 N ATOM 853 CA PHE A 59 -6.530 4.809 -3.513 1.00 0.00 C ATOM 854 C PHE A 59 -7.046 5.836 -4.537 1.00 0.00 C ATOM 855 O PHE A 59 -6.425 6.075 -5.574 1.00 0.00 O ATOM 856 CB PHE A 59 -7.266 3.471 -3.687 1.00 0.00 C ATOM 857 CG PHE A 59 -7.122 2.865 -5.060 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.985 2.143 -5.398 1.00 0.00 C ATOM 859 CD2 PHE A 59 -8.122 3.015 -6.012 1.00 0.00 C ATOM 860 CE1 PHE A 59 -5.851 1.586 -6.655 1.00 0.00 C ATOM 861 CE2 PHE A 59 -7.990 2.460 -7.270 1.00 0.00 C ATOM 862 CZ PHE A 59 -6.853 1.745 -7.590 1.00 0.00 C ATOM 0 H PHE A 59 -7.272 4.696 -1.545 1.00 0.00 H new ATOM 0 HA PHE A 59 -5.465 4.657 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.891 2.763 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.325 3.621 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.197 2.016 -4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.014 3.572 -5.766 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.962 1.026 -6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.774 2.585 -8.002 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.748 1.310 -8.573 1.00 0.00 H new ATOM 872 N SER A 60 -8.182 6.450 -4.221 1.00 0.00 N ATOM 873 CA SER A 60 -8.780 7.480 -5.083 1.00 0.00 C ATOM 874 C SER A 60 -8.138 8.855 -4.845 1.00 0.00 C ATOM 875 O SER A 60 -8.355 9.795 -5.609 1.00 0.00 O ATOM 876 CB SER A 60 -10.292 7.564 -4.840 1.00 0.00 C ATOM 877 OG SER A 60 -10.912 6.306 -5.048 1.00 0.00 O ATOM 0 H SER A 60 -8.713 6.255 -3.372 1.00 0.00 H new ATOM 0 HA SER A 60 -8.595 7.193 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.482 7.903 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.731 8.304 -5.509 1.00 0.00 H new ATOM 0 HG SER A 60 -10.728 5.720 -4.284 1.00 0.00 H new ATOM 883 N LYS A 61 -7.355 8.962 -3.777 1.00 0.00 N ATOM 884 CA LYS A 61 -6.624 10.193 -3.459 1.00 0.00 C ATOM 885 C LYS A 61 -5.390 10.341 -4.355 1.00 0.00 C ATOM 886 O LYS A 61 -5.162 11.397 -4.951 1.00 0.00 O ATOM 887 CB LYS A 61 -6.202 10.191 -1.981 1.00 0.00 C ATOM 888 CG LYS A 61 -5.484 11.458 -1.508 1.00 0.00 C ATOM 889 CD LYS A 61 -6.423 12.663 -1.390 1.00 0.00 C ATOM 890 CE LYS A 61 -6.667 13.360 -2.728 1.00 0.00 C ATOM 891 NZ LYS A 61 -5.407 13.882 -3.320 1.00 0.00 N ATOM 0 H LYS A 61 -7.207 8.206 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.286 11.040 -3.641 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.090 10.044 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.549 9.336 -1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.021 11.268 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.680 11.696 -2.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.377 12.335 -0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.000 13.379 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.131 12.660 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.369 14.182 -2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.601 14.774 -3.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.713 14.052 -2.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.024 13.186 -3.991 1.00 0.00 H new ATOM 905 N VAL A 62 -4.587 9.283 -4.425 1.00 0.00 N ATOM 906 CA VAL A 62 -3.417 9.250 -5.312 1.00 0.00 C ATOM 907 C VAL A 62 -3.832 9.237 -6.796 1.00 0.00 C ATOM 908 O VAL A 62 -3.077 9.667 -7.671 1.00 0.00 O ATOM 909 CB VAL A 62 -2.513 8.027 -5.018 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.945 8.103 -3.602 1.00 0.00 C ATOM 911 CG2 VAL A 62 -3.279 6.719 -5.225 1.00 0.00 C ATOM 0 H VAL A 62 -4.722 8.432 -3.878 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.851 10.160 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.680 8.045 -5.721 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.313 7.234 -3.416 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.353 9.012 -3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.763 8.117 -2.882 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.622 5.875 -5.012 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.137 6.690 -4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.624 6.659 -6.257 1.00 0.00 H new ATOM 921 N LYS A 63 -5.036 8.731 -7.066 1.00 0.00 N ATOM 922 CA LYS A 63 -5.623 8.755 -8.412 1.00 0.00 C ATOM 923 C LYS A 63 -5.990 10.196 -8.825 1.00 0.00 C ATOM 924 O LYS A 63 -6.977 10.759 -8.342 1.00 0.00 O ATOM 925 CB LYS A 63 -6.877 7.865 -8.444 1.00 0.00 C ATOM 926 CG LYS A 63 -7.610 7.853 -9.788 1.00 0.00 C ATOM 927 CD LYS A 63 -8.976 7.174 -9.685 1.00 0.00 C ATOM 928 CE LYS A 63 -8.863 5.692 -9.333 1.00 0.00 C ATOM 929 NZ LYS A 63 -8.269 4.894 -10.440 1.00 0.00 N ATOM 0 H LYS A 63 -5.632 8.294 -6.363 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.887 8.373 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.590 6.844 -8.192 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.567 8.202 -7.671 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.739 8.876 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.002 7.335 -10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.574 7.680 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.504 7.281 -10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.252 5.579 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.852 5.300 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.811 4.046 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.018 4.609 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.562 5.469 -10.942 1.00 0.00 H new ATOM 943 N GLY A 64 -5.192 10.791 -9.709 1.00 0.00 N ATOM 944 CA GLY A 64 -5.436 12.166 -10.140 1.00 0.00 C ATOM 945 C GLY A 64 -6.321 12.262 -11.380 1.00 0.00 C ATOM 946 O GLY A 64 -7.409 12.846 -11.339 1.00 0.00 O ATOM 0 H GLY A 64 -4.379 10.348 -10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.904 12.717 -9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.481 12.650 -10.345 1.00 0.00 H new ATOM 950 N LYS A 65 -5.857 11.690 -12.489 1.00 0.00 N ATOM 951 CA LYS A 65 -6.595 11.735 -13.761 1.00 0.00 C ATOM 952 C LYS A 65 -6.900 10.313 -14.274 1.00 0.00 C ATOM 953 O LYS A 65 -7.034 9.382 -13.477 1.00 0.00 O ATOM 954 CB LYS A 65 -5.798 12.542 -14.800 1.00 0.00 C ATOM 955 CG LYS A 65 -5.519 13.984 -14.373 1.00 0.00 C ATOM 956 CD LYS A 65 -4.937 14.842 -15.502 1.00 0.00 C ATOM 957 CE LYS A 65 -3.558 14.370 -15.966 1.00 0.00 C ATOM 958 NZ LYS A 65 -3.623 13.141 -16.802 1.00 0.00 N ATOM 0 H LYS A 65 -4.971 11.187 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.550 12.232 -13.594 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.850 12.038 -14.990 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.348 12.551 -15.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.445 14.438 -14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.825 13.980 -13.533 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.622 14.830 -16.349 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.866 15.876 -15.164 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.078 15.166 -16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.932 14.179 -15.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.243 12.335 -16.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.612 12.949 -17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.060 13.278 -17.665 1.00 0.00 H new ATOM 972 N SER A 66 -7.037 10.146 -15.594 1.00 0.00 N ATOM 973 CA SER A 66 -7.400 8.841 -16.176 1.00 0.00 C ATOM 974 C SER A 66 -6.334 7.770 -15.893 1.00 0.00 C ATOM 975 O SER A 66 -5.361 7.615 -16.641 1.00 0.00 O ATOM 976 CB SER A 66 -7.635 8.960 -17.689 1.00 0.00 C ATOM 977 OG SER A 66 -8.023 7.715 -18.260 1.00 0.00 O ATOM 0 H SER A 66 -6.904 10.890 -16.279 1.00 0.00 H new ATOM 0 HA SER A 66 -8.327 8.527 -15.697 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.408 9.705 -17.880 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.724 9.314 -18.172 1.00 0.00 H new ATOM 0 HG SER A 66 -8.166 7.827 -19.223 1.00 0.00 H new ATOM 983 N ALA A 67 -6.517 7.058 -14.783 1.00 0.00 N ATOM 984 CA ALA A 67 -5.615 5.976 -14.379 1.00 0.00 C ATOM 985 C ALA A 67 -6.306 5.035 -13.379 1.00 0.00 C ATOM 986 O ALA A 67 -6.540 5.401 -12.225 1.00 0.00 O ATOM 987 CB ALA A 67 -4.335 6.549 -13.773 1.00 0.00 C ATOM 0 H ALA A 67 -7.292 7.212 -14.138 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.354 5.399 -15.266 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.675 5.733 -13.478 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.832 7.174 -14.510 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.584 7.149 -12.898 1.00 0.00 H new ATOM 993 N ARG A 68 -6.639 3.825 -13.824 1.00 0.00 N ATOM 994 CA ARG A 68 -7.343 2.855 -12.977 1.00 0.00 C ATOM 995 C ARG A 68 -6.428 2.324 -11.868 1.00 0.00 C ATOM 996 O ARG A 68 -6.824 2.219 -10.705 1.00 0.00 O ATOM 997 CB ARG A 68 -7.845 1.677 -13.823 1.00 0.00 C ATOM 998 CG ARG A 68 -8.749 0.712 -13.055 1.00 0.00 C ATOM 999 CD ARG A 68 -8.928 -0.619 -13.784 1.00 0.00 C ATOM 1000 NE ARG A 68 -9.261 -0.445 -15.197 1.00 0.00 N ATOM 1001 CZ ARG A 68 -10.473 -0.487 -15.683 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -11.495 -0.650 -14.903 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -10.661 -0.364 -16.954 1.00 0.00 N ATOM 0 H ARG A 68 -6.434 3.490 -14.765 1.00 0.00 H new ATOM 0 HA ARG A 68 -8.190 3.367 -12.520 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.390 2.065 -14.684 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.987 1.127 -14.210 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.325 0.529 -12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.724 1.174 -12.903 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.011 -1.202 -13.700 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.716 -1.193 -13.297 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.494 -0.279 -15.849 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.358 -0.747 -13.897 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.436 -0.681 -15.295 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -9.864 -0.234 -17.577 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.607 -0.397 -17.335 1.00 0.00 H new ATOM 1017 N VAL A 69 -5.206 1.994 -12.252 1.00 0.00 N ATOM 1018 CA VAL A 69 -4.227 1.377 -11.348 1.00 0.00 C ATOM 1019 C VAL A 69 -3.278 2.412 -10.717 1.00 0.00 C ATOM 1020 O VAL A 69 -3.265 3.580 -11.103 1.00 0.00 O ATOM 1021 CB VAL A 69 -3.383 0.332 -12.114 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -4.258 -0.824 -12.597 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.662 1.000 -13.284 1.00 0.00 C ATOM 0 H VAL A 69 -4.856 2.143 -13.199 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.793 0.901 -10.547 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.636 -0.080 -11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.643 -1.547 -13.133 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.725 -1.310 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.031 -0.441 -13.263 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.070 0.257 -13.818 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.395 1.436 -13.962 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.006 1.784 -12.907 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.483 1.965 -9.744 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.478 2.824 -9.094 1.00 0.00 C ATOM 1035 C ILE A 70 -0.060 2.244 -9.247 1.00 0.00 C ATOM 1036 O ILE A 70 0.119 1.027 -9.325 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.786 3.017 -7.584 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.844 1.652 -6.865 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -3.094 3.786 -7.401 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -2.073 1.747 -5.367 1.00 0.00 C ATOM 0 H ILE A 70 -2.512 1.011 -9.384 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.525 3.792 -9.594 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.982 3.601 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.642 1.055 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.911 1.119 -7.045 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.296 3.913 -6.337 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.010 4.765 -7.874 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.911 3.230 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.101 0.745 -4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.262 2.315 -4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.021 2.250 -5.175 1.00 0.00 H new ATOM 1052 N ASN A 71 0.944 3.122 -9.293 1.00 0.00 N ATOM 1053 CA ASN A 71 2.348 2.696 -9.410 1.00 0.00 C ATOM 1054 C ASN A 71 3.056 2.714 -8.043 1.00 0.00 C ATOM 1055 O ASN A 71 2.515 3.216 -7.056 1.00 0.00 O ATOM 1056 CB ASN A 71 3.099 3.586 -10.414 1.00 0.00 C ATOM 1057 CG ASN A 71 3.119 5.048 -10.006 1.00 0.00 C ATOM 1058 OD1 ASN A 71 2.199 5.536 -9.364 1.00 0.00 O ATOM 1059 ND2 ASN A 71 4.163 5.758 -10.376 1.00 0.00 N ATOM 0 H ASN A 71 0.815 4.133 -9.251 1.00 0.00 H new ATOM 0 HA ASN A 71 2.355 1.670 -9.777 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.124 3.228 -10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.632 3.494 -11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.222 6.746 -10.128 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.913 5.321 -10.911 1.00 0.00 H new ATOM 1066 N TYR A 72 4.279 2.179 -7.996 1.00 0.00 N ATOM 1067 CA TYR A 72 5.033 2.059 -6.740 1.00 0.00 C ATOM 1068 C TYR A 72 5.246 3.422 -6.049 1.00 0.00 C ATOM 1069 O TYR A 72 5.228 3.510 -4.820 1.00 0.00 O ATOM 1070 CB TYR A 72 6.380 1.368 -6.995 1.00 0.00 C ATOM 1071 CG TYR A 72 7.203 1.133 -5.742 1.00 0.00 C ATOM 1072 CD1 TYR A 72 6.772 0.245 -4.761 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.409 1.798 -5.538 1.00 0.00 C ATOM 1074 CE1 TYR A 72 7.517 0.028 -3.619 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.157 1.584 -4.398 1.00 0.00 C ATOM 1076 CZ TYR A 72 8.710 0.698 -3.442 1.00 0.00 C ATOM 1077 OH TYR A 72 9.452 0.485 -2.302 1.00 0.00 O ATOM 0 H TYR A 72 4.771 1.820 -8.814 1.00 0.00 H new ATOM 0 HA TYR A 72 4.437 1.449 -6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.198 0.410 -7.482 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.961 1.974 -7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.839 -0.283 -4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.765 2.493 -6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.167 -0.664 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.090 2.109 -4.256 1.00 0.00 H new ATOM 0 HH TYR A 72 10.264 1.032 -2.333 1.00 0.00 H new ATOM 1087 N GLU A 73 5.439 4.482 -6.834 1.00 0.00 N ATOM 1088 CA GLU A 73 5.622 5.828 -6.270 1.00 0.00 C ATOM 1089 C GLU A 73 4.387 6.277 -5.471 1.00 0.00 C ATOM 1090 O GLU A 73 4.495 6.659 -4.302 1.00 0.00 O ATOM 1091 CB GLU A 73 5.935 6.843 -7.379 1.00 0.00 C ATOM 1092 CG GLU A 73 7.185 6.513 -8.192 1.00 0.00 C ATOM 1093 CD GLU A 73 8.401 6.207 -7.323 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.909 7.127 -6.649 1.00 0.00 O ATOM 1095 OE2 GLU A 73 8.859 5.043 -7.319 1.00 0.00 O ATOM 0 H GLU A 73 5.473 4.441 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 73 6.468 5.784 -5.585 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.081 6.902 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.056 7.829 -6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.979 5.655 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.417 7.352 -8.848 1.00 0.00 H new ATOM 1102 N GLU A 74 3.210 6.216 -6.098 1.00 0.00 N ATOM 1103 CA GLU A 74 1.960 6.577 -5.423 1.00 0.00 C ATOM 1104 C GLU A 74 1.644 5.590 -4.287 1.00 0.00 C ATOM 1105 O GLU A 74 0.989 5.943 -3.307 1.00 0.00 O ATOM 1106 CB GLU A 74 0.794 6.623 -6.423 1.00 0.00 C ATOM 1107 CG GLU A 74 0.975 7.644 -7.545 1.00 0.00 C ATOM 1108 CD GLU A 74 1.135 9.074 -7.041 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.142 9.661 -6.564 1.00 0.00 O ATOM 1110 OE2 GLU A 74 2.252 9.624 -7.128 1.00 0.00 O ATOM 0 H GLU A 74 3.096 5.921 -7.068 1.00 0.00 H new ATOM 0 HA GLU A 74 2.089 7.570 -4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.668 5.634 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.125 6.851 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.851 7.374 -8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.115 7.596 -8.213 1.00 0.00 H new ATOM 1117 N PHE A 75 2.117 4.350 -4.435 1.00 0.00 N ATOM 1118 CA PHE A 75 1.990 3.326 -3.391 1.00 0.00 C ATOM 1119 C PHE A 75 2.704 3.759 -2.097 1.00 0.00 C ATOM 1120 O PHE A 75 2.138 3.670 -1.007 1.00 0.00 O ATOM 1121 CB PHE A 75 2.561 1.993 -3.900 1.00 0.00 C ATOM 1122 CG PHE A 75 2.530 0.870 -2.890 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.335 0.246 -2.557 1.00 0.00 C ATOM 1124 CD2 PHE A 75 3.700 0.425 -2.289 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.311 -0.794 -1.646 1.00 0.00 C ATOM 1126 CE2 PHE A 75 3.678 -0.612 -1.378 1.00 0.00 C ATOM 1127 CZ PHE A 75 2.483 -1.223 -1.057 1.00 0.00 C ATOM 0 H PHE A 75 2.596 4.027 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 75 0.933 3.198 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.000 1.686 -4.783 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.592 2.151 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.414 0.577 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.639 0.896 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.375 -1.271 -1.395 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.596 -0.945 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.465 -2.036 -0.346 1.00 0.00 H new ATOM 1137 N LYS A 76 3.946 4.229 -2.226 1.00 0.00 N ATOM 1138 CA LYS A 76 4.705 4.749 -1.076 1.00 0.00 C ATOM 1139 C LYS A 76 3.951 5.909 -0.404 1.00 0.00 C ATOM 1140 O LYS A 76 3.805 5.945 0.818 1.00 0.00 O ATOM 1141 CB LYS A 76 6.102 5.213 -1.516 1.00 0.00 C ATOM 1142 CG LYS A 76 6.981 4.100 -2.081 1.00 0.00 C ATOM 1143 CD LYS A 76 8.346 4.622 -2.530 1.00 0.00 C ATOM 1144 CE LYS A 76 8.230 5.584 -3.709 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.545 6.156 -4.099 1.00 0.00 N ATOM 0 H LYS A 76 4.451 4.262 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 76 4.816 3.942 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.993 5.993 -2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.609 5.663 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.119 3.327 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.476 3.632 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.833 5.127 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.982 3.782 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.796 5.061 -4.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.547 6.393 -3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.464 6.608 -5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.838 6.864 -3.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.255 5.397 -4.142 1.00 0.00 H new ATOM 1159 N LYS A 77 3.469 6.849 -1.222 1.00 0.00 N ATOM 1160 CA LYS A 77 2.648 7.968 -0.735 1.00 0.00 C ATOM 1161 C LYS A 77 1.405 7.462 0.015 1.00 0.00 C ATOM 1162 O LYS A 77 1.040 7.985 1.073 1.00 0.00 O ATOM 1163 CB LYS A 77 2.223 8.847 -1.921 1.00 0.00 C ATOM 1164 CG LYS A 77 3.389 9.549 -2.616 1.00 0.00 C ATOM 1165 CD LYS A 77 2.985 10.150 -3.962 1.00 0.00 C ATOM 1166 CE LYS A 77 1.810 11.115 -3.843 1.00 0.00 C ATOM 1167 NZ LYS A 77 1.448 11.710 -5.158 1.00 0.00 N ATOM 0 H LYS A 77 3.632 6.859 -2.229 1.00 0.00 H new ATOM 0 HA LYS A 77 3.245 8.555 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.697 8.230 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.516 9.598 -1.570 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.773 10.338 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.201 8.837 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.838 10.673 -4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.723 9.347 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.948 10.589 -3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.062 11.910 -3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.038 12.654 -5.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.300 11.791 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.753 11.101 -5.635 1.00 0.00 H new ATOM 1181 N ALA A 78 0.762 6.437 -0.544 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.403 5.810 0.086 1.00 0.00 C ATOM 1183 C ALA A 78 -0.044 5.209 1.456 1.00 0.00 C ATOM 1184 O ALA A 78 -0.789 5.359 2.424 1.00 0.00 O ATOM 1185 CB ALA A 78 -0.988 4.743 -0.834 1.00 0.00 C ATOM 0 H ALA A 78 1.029 6.021 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.155 6.582 0.252 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.853 4.284 -0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.294 5.201 -1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.235 3.980 -1.031 1.00 0.00 H new ATOM 1191 N LEU A 79 1.108 4.539 1.531 1.00 0.00 N ATOM 1192 CA LEU A 79 1.585 3.958 2.795 1.00 0.00 C ATOM 1193 C LEU A 79 1.740 5.033 3.879 1.00 0.00 C ATOM 1194 O LEU A 79 1.376 4.815 5.033 1.00 0.00 O ATOM 1195 CB LEU A 79 2.924 3.233 2.592 1.00 0.00 C ATOM 1196 CG LEU A 79 2.880 2.004 1.669 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.268 1.388 1.540 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.878 0.969 2.183 1.00 0.00 C ATOM 0 H LEU A 79 1.728 4.384 0.736 1.00 0.00 H new ATOM 0 HA LEU A 79 0.836 3.238 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.644 3.944 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.299 2.920 3.567 1.00 0.00 H new ATOM 0 HG LEU A 79 2.551 2.330 0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.221 0.519 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.955 2.123 1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.623 1.081 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.866 0.110 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.169 0.645 3.182 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.883 1.413 2.221 1.00 0.00 H new ATOM 1210 N GLU A 80 2.272 6.193 3.500 1.00 0.00 N ATOM 1211 CA GLU A 80 2.452 7.300 4.446 1.00 0.00 C ATOM 1212 C GLU A 80 1.097 7.807 4.974 1.00 0.00 C ATOM 1213 O GLU A 80 0.969 8.168 6.149 1.00 0.00 O ATOM 1214 CB GLU A 80 3.252 8.438 3.789 1.00 0.00 C ATOM 1215 CG GLU A 80 4.627 7.992 3.288 1.00 0.00 C ATOM 1216 CD GLU A 80 5.513 9.143 2.835 1.00 0.00 C ATOM 1217 OE1 GLU A 80 6.252 9.691 3.680 1.00 0.00 O ATOM 1218 OE2 GLU A 80 5.486 9.504 1.638 1.00 0.00 O ATOM 0 H GLU A 80 2.586 6.394 2.550 1.00 0.00 H new ATOM 0 HA GLU A 80 3.018 6.931 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.680 8.841 2.953 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.379 9.247 4.508 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.134 7.445 4.083 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.494 7.298 2.458 1.00 0.00 H new ATOM 1225 N GLU A 81 0.080 7.817 4.108 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.291 8.127 4.532 1.00 0.00 C ATOM 1227 C GLU A 81 -1.817 7.073 5.521 1.00 0.00 C ATOM 1228 O GLU A 81 -2.133 7.391 6.667 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.230 8.236 3.318 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.373 9.653 2.771 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.014 10.603 3.777 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.234 10.482 4.019 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -2.303 11.465 4.340 1.00 0.00 O ATOM 0 H GLU A 81 0.178 7.615 3.113 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.269 9.091 5.040 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.859 7.587 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.215 7.865 3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.390 10.033 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.975 9.630 1.863 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.892 5.819 5.070 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.356 4.701 5.910 1.00 0.00 C ATOM 1242 C LEU A 82 -1.621 4.655 7.257 1.00 0.00 C ATOM 1243 O LEU A 82 -2.218 4.392 8.300 1.00 0.00 O ATOM 1244 CB LEU A 82 -2.173 3.367 5.167 1.00 0.00 C ATOM 1245 CG LEU A 82 -3.311 2.985 4.207 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -3.461 4.001 3.081 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -3.095 1.582 3.643 1.00 0.00 C ATOM 0 H LEU A 82 -1.636 5.546 4.121 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.415 4.862 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.242 3.411 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.061 2.572 5.905 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.239 2.989 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.275 3.697 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.682 4.982 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.533 4.052 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.912 1.332 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.151 1.550 3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.068 0.861 4.460 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.324 4.909 7.219 1.00 0.00 N ATOM 1260 CA ALA A 83 0.492 4.988 8.434 1.00 0.00 C ATOM 1261 C ALA A 83 -0.049 6.043 9.417 1.00 0.00 C ATOM 1262 O ALA A 83 -0.306 5.747 10.585 1.00 0.00 O ATOM 1263 CB ALA A 83 1.939 5.297 8.070 1.00 0.00 C ATOM 0 H ALA A 83 0.196 5.066 6.356 1.00 0.00 H new ATOM 0 HA ALA A 83 0.444 4.020 8.933 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.539 5.354 8.979 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.329 4.508 7.427 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.986 6.250 7.544 1.00 0.00 H new ATOM 1269 N THR A 84 -0.236 7.270 8.932 1.00 0.00 N ATOM 1270 CA THR A 84 -0.746 8.367 9.775 1.00 0.00 C ATOM 1271 C THR A 84 -2.254 8.228 10.064 1.00 0.00 C ATOM 1272 O THR A 84 -2.806 8.951 10.895 1.00 0.00 O ATOM 1273 CB THR A 84 -0.474 9.753 9.136 1.00 0.00 C ATOM 1274 OG1 THR A 84 -1.109 9.846 7.848 1.00 0.00 O ATOM 1275 CG2 THR A 84 1.025 10.001 8.983 1.00 0.00 C ATOM 0 H THR A 84 -0.045 7.535 7.966 1.00 0.00 H new ATOM 0 HA THR A 84 -0.205 8.296 10.719 1.00 0.00 H new ATOM 0 HB THR A 84 -0.889 10.512 9.799 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.448 8.965 7.586 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.188 10.980 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.501 9.969 9.963 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.458 9.231 8.344 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.911 7.303 9.364 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.327 6.985 9.611 1.00 0.00 C ATOM 1285 C LYS A 85 -4.480 5.920 10.711 1.00 0.00 C ATOM 1286 O LYS A 85 -5.311 6.050 11.612 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.997 6.486 8.318 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.262 7.580 7.286 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.313 8.576 7.777 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.680 9.594 6.702 1.00 0.00 C ATOM 1291 NZ LYS A 85 -5.523 10.438 6.300 1.00 0.00 N ATOM 0 H LYS A 85 -2.486 6.755 8.616 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.815 7.900 9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.364 5.722 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.942 6.007 8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.334 8.108 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.597 7.127 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.208 8.036 8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.936 9.097 8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.066 9.071 5.827 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.482 10.234 7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.788 11.442 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.720 10.252 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.251 10.211 5.322 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.678 4.862 10.624 1.00 0.00 N ATOM 1306 CA ARG A 86 -3.768 3.740 11.558 1.00 0.00 C ATOM 1307 C ARG A 86 -2.964 4.027 12.840 1.00 0.00 C ATOM 1308 O ARG A 86 -3.469 3.858 13.955 1.00 0.00 O ATOM 1309 CB ARG A 86 -3.256 2.464 10.862 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.875 1.159 11.367 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.393 0.781 12.761 1.00 0.00 C ATOM 1312 NE ARG A 86 -3.904 -0.529 13.176 1.00 0.00 N ATOM 1313 CZ ARG A 86 -3.195 -1.446 13.772 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -1.951 -1.237 14.064 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -3.732 -2.583 14.074 1.00 0.00 N ATOM 0 H ARG A 86 -2.954 4.757 9.913 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.808 3.598 11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.448 2.550 9.792 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.175 2.408 10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.961 1.256 11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.633 0.354 10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.303 0.768 12.778 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.714 1.539 13.475 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.884 -0.738 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.514 -0.346 13.828 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.408 -1.963 14.531 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.710 -2.762 13.846 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.178 -3.301 14.540 1.00 0.00 H new ATOM 1329 N PHE A 87 -1.718 4.464 12.671 1.00 0.00 N ATOM 1330 CA PHE A 87 -0.843 4.791 13.805 1.00 0.00 C ATOM 1331 C PHE A 87 -1.122 6.209 14.327 1.00 0.00 C ATOM 1332 O PHE A 87 -2.013 6.904 13.838 1.00 0.00 O ATOM 1333 CB PHE A 87 0.634 4.674 13.397 1.00 0.00 C ATOM 1334 CG PHE A 87 1.037 3.297 12.926 1.00 0.00 C ATOM 1335 CD1 PHE A 87 1.438 2.327 13.835 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.024 2.977 11.576 1.00 0.00 C ATOM 1337 CE1 PHE A 87 1.819 1.071 13.406 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.402 1.723 11.143 1.00 0.00 C ATOM 1339 CZ PHE A 87 1.800 0.770 12.058 1.00 0.00 C ATOM 0 H PHE A 87 -1.286 4.602 11.757 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.053 4.078 14.602 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.838 5.392 12.603 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.258 4.952 14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.452 2.558 14.890 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.714 3.719 10.855 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.131 0.326 14.123 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.386 1.487 10.089 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.097 -0.212 11.720 1.00 0.00 H new ATOM 1349 N LYS A 88 -0.364 6.624 15.335 1.00 0.00 N ATOM 1350 CA LYS A 88 -0.495 7.972 15.896 1.00 0.00 C ATOM 1351 C LYS A 88 0.504 8.938 15.238 1.00 0.00 C ATOM 1352 O LYS A 88 1.644 8.568 14.955 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.282 7.927 17.415 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.485 9.271 18.112 1.00 0.00 C ATOM 1355 CD LYS A 88 -0.420 9.127 19.629 1.00 0.00 C ATOM 1356 CE LYS A 88 -0.552 10.467 20.341 1.00 0.00 C ATOM 1357 NZ LYS A 88 -0.525 10.308 21.816 1.00 0.00 N ATOM 0 H LYS A 88 0.349 6.049 15.784 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.501 8.339 15.691 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.969 7.199 17.846 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.728 7.573 17.619 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.278 9.974 17.779 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.450 9.689 17.826 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.215 8.460 19.963 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.525 8.661 19.908 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.259 11.126 20.031 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.484 10.947 20.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.617 11.240 22.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.314 9.699 22.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.375 9.873 22.102 1.00 0.00 H new ATOM 1371 N GLY A 89 0.077 10.180 15.005 1.00 0.00 N ATOM 1372 CA GLY A 89 0.922 11.160 14.323 1.00 0.00 C ATOM 1373 C GLY A 89 2.030 11.750 15.199 1.00 0.00 C ATOM 1374 O GLY A 89 2.126 12.969 15.355 1.00 0.00 O ATOM 0 H GLY A 89 -0.842 10.529 15.276 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.376 10.688 13.451 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.294 11.971 13.955 1.00 0.00 H new ATOM 1378 N LYS A 90 2.874 10.889 15.766 1.00 0.00 N ATOM 1379 CA LYS A 90 4.038 11.337 16.540 1.00 0.00 C ATOM 1380 C LYS A 90 5.218 11.648 15.600 1.00 0.00 C ATOM 1381 O LYS A 90 6.035 12.530 15.871 1.00 0.00 O ATOM 1382 CB LYS A 90 4.436 10.259 17.565 1.00 0.00 C ATOM 1383 CG LYS A 90 5.599 10.653 18.476 1.00 0.00 C ATOM 1384 CD LYS A 90 5.834 9.625 19.585 1.00 0.00 C ATOM 1385 CE LYS A 90 6.298 8.276 19.040 1.00 0.00 C ATOM 1386 NZ LYS A 90 7.691 8.329 18.517 1.00 0.00 N ATOM 0 H LYS A 90 2.776 9.876 15.706 1.00 0.00 H new ATOM 0 HA LYS A 90 3.775 12.249 17.076 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.569 10.025 18.183 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.702 9.347 17.030 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.506 10.758 17.881 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.396 11.627 18.922 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.580 10.009 20.280 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.912 9.488 20.151 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.236 7.527 19.829 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.625 7.957 18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.740 7.825 17.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.972 9.321 18.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.335 7.878 19.198 1.00 0.00 H new ATOM 1400 N SER A 91 5.285 10.911 14.493 1.00 0.00 N ATOM 1401 CA SER A 91 6.328 11.100 13.479 1.00 0.00 C ATOM 1402 C SER A 91 5.923 10.447 12.153 1.00 0.00 C ATOM 1403 O SER A 91 5.593 9.261 12.118 1.00 0.00 O ATOM 1404 CB SER A 91 7.656 10.507 13.958 1.00 0.00 C ATOM 1405 OG SER A 91 8.649 10.575 12.944 1.00 0.00 O ATOM 0 H SER A 91 4.622 10.168 14.271 1.00 0.00 H new ATOM 0 HA SER A 91 6.451 12.171 13.321 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.999 11.045 14.842 1.00 0.00 H new ATOM 0 HB3 SER A 91 7.507 9.469 14.255 1.00 0.00 H new ATOM 0 HG SER A 91 9.486 10.191 13.279 1.00 0.00 H new ATOM 1411 N LYS A 92 5.951 11.220 11.068 1.00 0.00 N ATOM 1412 CA LYS A 92 5.553 10.720 9.744 1.00 0.00 C ATOM 1413 C LYS A 92 6.559 9.697 9.194 1.00 0.00 C ATOM 1414 O LYS A 92 6.174 8.625 8.720 1.00 0.00 O ATOM 1415 CB LYS A 92 5.392 11.898 8.772 1.00 0.00 C ATOM 1416 CG LYS A 92 5.075 11.493 7.332 1.00 0.00 C ATOM 1417 CD LYS A 92 4.638 12.696 6.499 1.00 0.00 C ATOM 1418 CE LYS A 92 4.537 12.373 5.013 1.00 0.00 C ATOM 1419 NZ LYS A 92 5.877 12.179 4.391 1.00 0.00 N ATOM 0 H LYS A 92 6.245 12.197 11.076 1.00 0.00 H new ATOM 0 HA LYS A 92 4.598 10.206 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.596 12.548 9.137 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.310 12.485 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.954 11.035 6.879 1.00 0.00 H new ATOM 0 HG3 LYS A 92 4.286 10.741 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 92 3.671 13.049 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.348 13.510 6.643 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.941 11.471 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 92 4.013 13.181 4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.868 12.557 3.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.596 12.680 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.104 11.164 4.365 1.00 0.00 H new ATOM 1433 N GLU A 93 7.848 10.023 9.271 1.00 0.00 N ATOM 1434 CA GLU A 93 8.898 9.113 8.800 1.00 0.00 C ATOM 1435 C GLU A 93 8.926 7.825 9.637 1.00 0.00 C ATOM 1436 O GLU A 93 9.087 6.727 9.100 1.00 0.00 O ATOM 1437 CB GLU A 93 10.272 9.797 8.842 1.00 0.00 C ATOM 1438 CG GLU A 93 10.346 11.088 8.024 1.00 0.00 C ATOM 1439 CD GLU A 93 11.754 11.663 7.938 1.00 0.00 C ATOM 1440 OE1 GLU A 93 12.393 11.854 8.995 1.00 0.00 O ATOM 1441 OE2 GLU A 93 12.226 11.941 6.810 1.00 0.00 O ATOM 0 H GLU A 93 8.192 10.904 9.652 1.00 0.00 H new ATOM 0 HA GLU A 93 8.670 8.850 7.767 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.525 10.020 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.025 9.101 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.977 10.894 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.683 11.831 8.468 1.00 0.00 H new ATOM 1448 N GLU A 94 8.760 7.965 10.952 1.00 0.00 N ATOM 1449 CA GLU A 94 8.722 6.807 11.855 1.00 0.00 C ATOM 1450 C GLU A 94 7.494 5.930 11.583 1.00 0.00 C ATOM 1451 O GLU A 94 7.592 4.704 11.541 1.00 0.00 O ATOM 1452 CB GLU A 94 8.727 7.273 13.316 1.00 0.00 C ATOM 1453 CG GLU A 94 8.774 6.137 14.332 1.00 0.00 C ATOM 1454 CD GLU A 94 8.876 6.643 15.762 1.00 0.00 C ATOM 1455 OE1 GLU A 94 9.940 7.182 16.126 1.00 0.00 O ATOM 1456 OE2 GLU A 94 7.890 6.518 16.522 1.00 0.00 O ATOM 0 H GLU A 94 8.650 8.865 11.418 1.00 0.00 H new ATOM 0 HA GLU A 94 9.613 6.207 11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.586 7.924 13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.835 7.872 13.498 1.00 0.00 H new ATOM 0 HG2 GLU A 94 7.879 5.524 14.229 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.627 5.494 14.115 1.00 0.00 H new ATOM 1463 N ALA A 95 6.339 6.569 11.390 1.00 0.00 N ATOM 1464 CA ALA A 95 5.110 5.851 11.031 1.00 0.00 C ATOM 1465 C ALA A 95 5.291 5.073 9.720 1.00 0.00 C ATOM 1466 O ALA A 95 4.756 3.976 9.557 1.00 0.00 O ATOM 1467 CB ALA A 95 3.943 6.828 10.921 1.00 0.00 C ATOM 0 H ALA A 95 6.227 7.579 11.475 1.00 0.00 H new ATOM 0 HA ALA A 95 4.890 5.131 11.819 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.037 6.284 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.797 7.329 11.878 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.161 7.570 10.152 1.00 0.00 H new ATOM 1473 N PHE A 96 6.060 5.649 8.792 1.00 0.00 N ATOM 1474 CA PHE A 96 6.388 4.983 7.528 1.00 0.00 C ATOM 1475 C PHE A 96 7.238 3.725 7.776 1.00 0.00 C ATOM 1476 O PHE A 96 7.003 2.679 7.170 1.00 0.00 O ATOM 1477 CB PHE A 96 7.123 5.953 6.588 1.00 0.00 C ATOM 1478 CG PHE A 96 7.422 5.375 5.224 1.00 0.00 C ATOM 1479 CD1 PHE A 96 6.395 5.109 4.327 1.00 0.00 C ATOM 1480 CD2 PHE A 96 8.729 5.100 4.838 1.00 0.00 C ATOM 1481 CE1 PHE A 96 6.664 4.582 3.077 1.00 0.00 C ATOM 1482 CE2 PHE A 96 9.001 4.572 3.589 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.968 4.313 2.709 1.00 0.00 C ATOM 0 H PHE A 96 6.468 6.578 8.893 1.00 0.00 H new ATOM 0 HA PHE A 96 5.457 4.674 7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.520 6.853 6.466 1.00 0.00 H new ATOM 0 HB3 PHE A 96 8.059 6.258 7.056 1.00 0.00 H new ATOM 0 HD1 PHE A 96 5.373 5.316 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 96 9.541 5.301 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 96 5.856 4.381 2.390 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.021 4.362 3.302 1.00 0.00 H new ATOM 0 HZ PHE A 96 8.180 3.900 1.734 1.00 0.00 H new ATOM 1493 N ASP A 97 8.218 3.827 8.676 1.00 0.00 N ATOM 1494 CA ASP A 97 9.036 2.667 9.048 1.00 0.00 C ATOM 1495 C ASP A 97 8.182 1.591 9.746 1.00 0.00 C ATOM 1496 O ASP A 97 8.371 0.394 9.529 1.00 0.00 O ATOM 1497 CB ASP A 97 10.195 3.085 9.964 1.00 0.00 C ATOM 1498 CG ASP A 97 11.158 4.062 9.305 1.00 0.00 C ATOM 1499 OD1 ASP A 97 11.372 3.972 8.076 1.00 0.00 O ATOM 1500 OD2 ASP A 97 11.712 4.929 10.017 1.00 0.00 O ATOM 0 H ASP A 97 8.464 4.692 9.158 1.00 0.00 H new ATOM 0 HA ASP A 97 9.447 2.247 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.789 3.539 10.868 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.745 2.196 10.273 1.00 0.00 H new ATOM 1505 N ALA A 98 7.239 2.030 10.584 1.00 0.00 N ATOM 1506 CA ALA A 98 6.344 1.115 11.307 1.00 0.00 C ATOM 1507 C ALA A 98 5.414 0.353 10.347 1.00 0.00 C ATOM 1508 O ALA A 98 5.325 -0.877 10.398 1.00 0.00 O ATOM 1509 CB ALA A 98 5.529 1.886 12.340 1.00 0.00 C ATOM 0 H ALA A 98 7.073 3.017 10.781 1.00 0.00 H new ATOM 0 HA ALA A 98 6.962 0.377 11.818 1.00 0.00 H new ATOM 0 HB1 ALA A 98 4.869 1.199 12.870 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.202 2.364 13.052 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.932 2.647 11.838 1.00 0.00 H new ATOM 1515 N ILE A 99 4.723 1.078 9.464 1.00 0.00 N ATOM 1516 CA ILE A 99 3.862 0.434 8.468 1.00 0.00 C ATOM 1517 C ILE A 99 4.701 -0.453 7.528 1.00 0.00 C ATOM 1518 O ILE A 99 4.247 -1.502 7.077 1.00 0.00 O ATOM 1519 CB ILE A 99 3.035 1.465 7.649 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.968 0.746 6.809 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.940 2.313 6.757 1.00 0.00 C ATOM 1522 CD1 ILE A 99 1.034 1.681 6.069 1.00 0.00 C ATOM 0 H ILE A 99 4.741 2.097 9.417 1.00 0.00 H new ATOM 0 HA ILE A 99 3.151 -0.190 9.010 1.00 0.00 H new ATOM 0 HB ILE A 99 2.536 2.134 8.350 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.465 0.098 6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.379 0.102 7.462 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.334 3.025 6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.657 2.854 7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.476 1.666 6.062 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.311 1.097 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.508 2.312 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.610 2.308 5.388 1.00 0.00 H new ATOM 1534 N CYS A 100 5.939 -0.033 7.260 1.00 0.00 N ATOM 1535 CA CYS A 100 6.899 -0.865 6.519 1.00 0.00 C ATOM 1536 C CYS A 100 7.265 -2.124 7.321 1.00 0.00 C ATOM 1537 O CYS A 100 7.489 -3.190 6.752 1.00 0.00 O ATOM 1538 CB CYS A 100 8.169 -0.064 6.203 1.00 0.00 C ATOM 1539 SG CYS A 100 9.484 -1.019 5.407 1.00 0.00 S ATOM 0 H CYS A 100 6.303 0.877 7.543 1.00 0.00 H new ATOM 0 HA CYS A 100 6.428 -1.171 5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.904 0.773 5.557 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.556 0.359 7.130 1.00 0.00 H new ATOM 0 HG CYS A 100 10.604 -0.825 6.038 1.00 0.00 H new ATOM 1545 N GLN A 101 7.311 -1.983 8.645 1.00 0.00 N ATOM 1546 CA GLN A 101 7.621 -3.096 9.554 1.00 0.00 C ATOM 1547 C GLN A 101 6.478 -4.131 9.591 1.00 0.00 C ATOM 1548 O GLN A 101 6.682 -5.289 9.963 1.00 0.00 O ATOM 1549 CB GLN A 101 7.896 -2.545 10.967 1.00 0.00 C ATOM 1550 CG GLN A 101 8.345 -3.591 11.981 1.00 0.00 C ATOM 1551 CD GLN A 101 8.715 -2.990 13.330 1.00 0.00 C ATOM 1552 OE1 GLN A 101 7.877 -2.841 14.216 1.00 0.00 O ATOM 1553 NE2 GLN A 101 9.975 -2.638 13.500 1.00 0.00 N ATOM 0 H GLN A 101 7.136 -1.098 9.121 1.00 0.00 H new ATOM 0 HA GLN A 101 8.510 -3.606 9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.662 -1.773 10.899 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.991 -2.064 11.338 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.547 -4.320 12.121 1.00 0.00 H new ATOM 0 HG3 GLN A 101 9.204 -4.131 11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 101 10.649 -2.774 12.746 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.276 -2.230 14.385 1.00 0.00 H new ATOM 1562 N LEU A 102 5.268 -3.700 9.224 1.00 0.00 N ATOM 1563 CA LEU A 102 4.115 -4.610 9.120 1.00 0.00 C ATOM 1564 C LEU A 102 3.906 -5.114 7.679 1.00 0.00 C ATOM 1565 O LEU A 102 3.518 -6.263 7.457 1.00 0.00 O ATOM 1566 CB LEU A 102 2.833 -3.905 9.595 1.00 0.00 C ATOM 1567 CG LEU A 102 2.869 -3.357 11.031 1.00 0.00 C ATOM 1568 CD1 LEU A 102 1.541 -2.692 11.387 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.202 -4.473 12.019 1.00 0.00 C ATOM 0 H LEU A 102 5.058 -2.729 8.993 1.00 0.00 H new ATOM 0 HA LEU A 102 4.328 -5.469 9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.621 -3.080 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.003 -4.606 9.514 1.00 0.00 H new ATOM 0 HG LEU A 102 3.652 -2.601 11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.587 -2.311 12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.351 -1.868 10.700 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.736 -3.422 11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.224 -4.069 13.031 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.443 -5.253 11.956 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.177 -4.895 11.776 1.00 0.00 H new ATOM 1581 N VAL A 103 4.156 -4.242 6.705 1.00 0.00 N ATOM 1582 CA VAL A 103 3.880 -4.544 5.293 1.00 0.00 C ATOM 1583 C VAL A 103 5.126 -5.043 4.542 1.00 0.00 C ATOM 1584 O VAL A 103 5.191 -6.206 4.131 1.00 0.00 O ATOM 1585 CB VAL A 103 3.322 -3.292 4.560 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.052 -3.585 3.085 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.060 -2.781 5.250 1.00 0.00 C ATOM 0 H VAL A 103 4.551 -3.315 6.864 1.00 0.00 H new ATOM 0 HA VAL A 103 3.137 -5.342 5.292 1.00 0.00 H new ATOM 0 HB VAL A 103 4.081 -2.512 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.663 -2.689 2.601 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.980 -3.886 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.321 -4.389 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.686 -1.904 4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.299 -3.562 5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.292 -2.511 6.280 1.00 0.00 H new ATOM 1597 N ALA A 104 6.115 -4.158 4.402 1.00 0.00 N ATOM 1598 CA ALA A 104 7.260 -4.372 3.504 1.00 0.00 C ATOM 1599 C ALA A 104 7.959 -5.725 3.707 1.00 0.00 C ATOM 1600 O ALA A 104 8.649 -5.945 4.706 1.00 0.00 O ATOM 1601 CB ALA A 104 8.266 -3.239 3.657 1.00 0.00 C ATOM 0 H ALA A 104 6.148 -3.272 4.906 1.00 0.00 H new ATOM 0 HA ALA A 104 6.855 -4.383 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.109 -3.408 2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.788 -2.292 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.622 -3.205 4.687 1.00 0.00 H new ATOM 1607 N GLY A 105 7.797 -6.618 2.734 1.00 0.00 N ATOM 1608 CA GLY A 105 8.436 -7.931 2.798 1.00 0.00 C ATOM 1609 C GLY A 105 7.451 -9.054 3.088 1.00 0.00 C ATOM 1610 O GLY A 105 7.571 -10.156 2.545 1.00 0.00 O ATOM 0 H GLY A 105 7.234 -6.459 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.940 -8.131 1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.204 -7.919 3.572 1.00 0.00 H new ATOM 1614 N LYS A 106 6.479 -8.779 3.952 1.00 0.00 N ATOM 1615 CA LYS A 106 5.447 -9.762 4.287 1.00 0.00 C ATOM 1616 C LYS A 106 4.388 -9.824 3.187 1.00 0.00 C ATOM 1617 O LYS A 106 4.197 -10.859 2.555 1.00 0.00 O ATOM 1618 CB LYS A 106 4.771 -9.418 5.621 1.00 0.00 C ATOM 1619 CG LYS A 106 3.721 -10.447 6.049 1.00 0.00 C ATOM 1620 CD LYS A 106 2.721 -9.879 7.051 1.00 0.00 C ATOM 1621 CE LYS A 106 1.898 -8.748 6.443 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.177 -9.171 5.209 1.00 0.00 N ATOM 0 H LYS A 106 6.382 -7.885 4.434 1.00 0.00 H new ATOM 0 HA LYS A 106 5.934 -10.733 4.377 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.532 -9.341 6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.299 -8.439 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.186 -10.803 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.221 -11.310 6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.055 -10.672 7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.253 -9.512 7.929 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.176 -8.391 7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.554 -7.910 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.673 -8.356 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.861 -9.534 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.493 -9.918 5.445 1.00 0.00 H new ATOM 1636 N GLU A 107 3.703 -8.695 3.015 1.00 0.00 N ATOM 1637 CA GLU A 107 2.675 -8.485 1.981 1.00 0.00 C ATOM 1638 C GLU A 107 1.896 -9.763 1.553 1.00 0.00 C ATOM 1639 O GLU A 107 0.859 -10.026 2.149 1.00 0.00 O ATOM 1640 CB GLU A 107 3.290 -7.678 0.835 1.00 0.00 C ATOM 1641 CG GLU A 107 3.615 -6.267 1.274 1.00 0.00 C ATOM 1642 CD GLU A 107 4.599 -5.541 0.371 1.00 0.00 C ATOM 1643 OE1 GLU A 107 4.185 -5.056 -0.701 1.00 0.00 O ATOM 1644 OE2 GLU A 107 5.795 -5.459 0.742 1.00 0.00 O ATOM 0 H GLU A 107 3.847 -7.875 3.604 1.00 0.00 H new ATOM 0 HA GLU A 107 1.867 -7.896 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.197 -8.171 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.598 -7.650 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 107 2.690 -5.692 1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.022 -6.298 2.285 1.00 0.00 H new ATOM 1651 N PRO A 108 2.318 -10.602 0.559 1.00 0.00 N ATOM 1652 CA PRO A 108 1.556 -11.820 0.233 1.00 0.00 C ATOM 1653 C PRO A 108 1.742 -12.918 1.295 1.00 0.00 C ATOM 1654 O PRO A 108 2.536 -13.845 1.119 1.00 0.00 O ATOM 1655 CB PRO A 108 2.122 -12.263 -1.133 1.00 0.00 C ATOM 1656 CG PRO A 108 3.021 -11.151 -1.572 1.00 0.00 C ATOM 1657 CD PRO A 108 3.498 -10.489 -0.316 1.00 0.00 C ATOM 0 HA PRO A 108 0.482 -11.634 0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.671 -13.200 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.322 -12.429 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.859 -11.533 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 108 2.487 -10.445 -2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.368 -10.993 0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.782 -9.450 -0.485 1.00 0.00 H new ATOM 1665 N ALA A 109 1.029 -12.793 2.416 1.00 0.00 N ATOM 1666 CA ALA A 109 1.174 -13.750 3.528 1.00 0.00 C ATOM 1667 C ALA A 109 -0.165 -14.350 3.999 1.00 0.00 C ATOM 1668 O ALA A 109 -0.304 -15.573 4.112 1.00 0.00 O ATOM 1669 CB ALA A 109 1.881 -13.077 4.699 1.00 0.00 C ATOM 0 H ALA A 109 0.351 -12.049 2.583 1.00 0.00 H new ATOM 0 HA ALA A 109 1.770 -14.580 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.986 -13.788 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.868 -12.740 4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.295 -12.221 5.034 1.00 0.00 H new