USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 783 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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.0983 X(o=-0.098,f=-0.0034) USER MOD Set 2.1: A 48 THR OG1 : rot -97:sc= 1.34 USER MOD Set 2.2: A 53 ASN : amide:sc= 0.294 K(o=1.6,f=0.28) USER MOD Set 3.1: A 39 LYS NZ :NH3+ -151:sc= 1.31 (180deg=0) USER MOD Set 3.2: A 43 SER OG : rot 68:sc= 0.985 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.045) USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -2.23! (180deg=-3.89!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -4.38! C(o=-4.4!,f=-6.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -135:sc= -1.05 (180deg=-3.38!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 0:sc= 1.22 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00367 (180deg=-0.104) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= -0.0285 (180deg=-0.183) USER MOD Single : A 71 SER OG : rot 18:sc= 0.699 USER MOD Single : A 74 THR OG1 : rot -3:sc= -3.55! USER MOD Single : A 77 MET CE :methyl 168:sc= -0.304 (180deg=-0.315) USER MOD Single : A 78 SER OG : rot -20:sc= -0.418 USER MOD Single : A 81 MET CE :methyl 152:sc= -1.79! (180deg=-3.61!) USER MOD Single : A 84 MET CE :methyl -150:sc= -0.681 (180deg=-3.7!) USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= 0 (180deg=-0.0855) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.638 (180deg=0.605) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 1.28 (180deg=0.236) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.747 4.032 13.934 1.00 0.00 N ATOM 84 CA PRO A 7 3.098 3.592 13.656 1.00 0.00 C ATOM 85 C PRO A 7 3.192 2.880 12.313 1.00 0.00 C ATOM 86 O PRO A 7 3.776 1.799 12.217 1.00 0.00 O ATOM 87 CB PRO A 7 3.329 2.602 14.796 1.00 0.00 C ATOM 88 CG PRO A 7 1.969 2.025 15.091 1.00 0.00 C ATOM 89 CD PRO A 7 0.948 2.888 14.373 1.00 0.00 C ATOM 0 HA PRO A 7 3.820 4.406 13.599 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.034 1.823 14.506 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.746 3.099 15.672 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.907 0.992 14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 7 1.779 2.017 16.164 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.495 2.364 13.532 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.136 3.191 15.035 1.00 0.00 H new ATOM 97 N GLY A 8 2.620 3.479 11.274 1.00 0.00 N ATOM 98 CA GLY A 8 2.523 2.772 10.012 1.00 0.00 C ATOM 99 C GLY A 8 3.833 2.760 9.267 1.00 0.00 C ATOM 100 O GLY A 8 4.106 1.845 8.493 1.00 0.00 O ATOM 0 H GLY A 8 2.230 4.421 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.201 1.747 10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.758 3.240 9.392 1.00 0.00 H new ATOM 104 N ALA A 9 4.646 3.779 9.513 1.00 0.00 N ATOM 105 CA ALA A 9 5.959 3.883 8.906 1.00 0.00 C ATOM 106 C ALA A 9 6.752 5.025 9.522 1.00 0.00 C ATOM 107 O ALA A 9 7.324 4.883 10.601 1.00 0.00 O ATOM 108 CB ALA A 9 5.853 4.053 7.398 1.00 0.00 C ATOM 0 H ALA A 9 4.412 4.552 10.137 1.00 0.00 H new ATOM 0 HA ALA A 9 6.492 2.953 9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.852 4.128 6.969 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.338 3.193 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.292 4.960 7.173 1.00 0.00 H new ATOM 114 N ASP A 10 6.745 6.165 8.849 1.00 0.00 N ATOM 115 CA ASP A 10 7.435 7.348 9.328 1.00 0.00 C ATOM 116 C ASP A 10 6.872 8.560 8.600 1.00 0.00 C ATOM 117 O ASP A 10 6.017 8.408 7.721 1.00 0.00 O ATOM 118 CB ASP A 10 8.949 7.228 9.099 1.00 0.00 C ATOM 119 CG ASP A 10 9.759 8.159 9.987 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.006 9.315 9.584 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.161 7.739 11.090 1.00 0.00 O ATOM 0 H ASP A 10 6.263 6.294 7.960 1.00 0.00 H new ATOM 0 HA ASP A 10 7.278 7.457 10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.258 6.199 9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.171 7.446 8.054 1.00 0.00 H new ATOM 126 N CYS A 11 7.347 9.740 8.962 1.00 0.00 N ATOM 127 CA CYS A 11 6.848 11.000 8.426 1.00 0.00 C ATOM 128 C CYS A 11 5.358 11.184 8.742 1.00 0.00 C ATOM 129 O CYS A 11 5.035 11.799 9.759 1.00 0.00 O ATOM 130 CB CYS A 11 7.142 11.117 6.930 1.00 0.00 C ATOM 131 SG CYS A 11 8.921 11.054 6.518 1.00 0.00 S ATOM 0 H CYS A 11 8.098 9.854 9.643 1.00 0.00 H new ATOM 0 HA CYS A 11 7.380 11.814 8.919 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.629 10.312 6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 11 6.726 12.054 6.560 1.00 0.00 H new ATOM 136 N GLU A 12 4.449 10.641 7.910 1.00 0.00 N ATOM 137 CA GLU A 12 3.009 10.756 8.193 1.00 0.00 C ATOM 138 C GLU A 12 2.129 10.072 7.146 1.00 0.00 C ATOM 139 O GLU A 12 1.606 8.994 7.388 1.00 0.00 O ATOM 140 CB GLU A 12 2.615 12.236 8.305 1.00 0.00 C ATOM 141 CG GLU A 12 1.147 12.490 8.603 1.00 0.00 C ATOM 142 CD GLU A 12 0.856 13.969 8.745 1.00 0.00 C ATOM 143 OE1 GLU A 12 1.400 14.585 9.687 1.00 0.00 O ATOM 144 OE2 GLU A 12 0.103 14.526 7.917 1.00 0.00 O ATOM 0 H GLU A 12 4.679 10.131 7.057 1.00 0.00 H new ATOM 0 HA GLU A 12 2.837 10.241 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.214 12.697 9.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.872 12.736 7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.535 12.073 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.867 11.973 9.521 1.00 0.00 H new ATOM 151 N VAL A 13 1.962 10.689 5.985 1.00 0.00 N ATOM 152 CA VAL A 13 0.928 10.249 5.049 1.00 0.00 C ATOM 153 C VAL A 13 1.132 8.800 4.600 1.00 0.00 C ATOM 154 O VAL A 13 0.168 8.036 4.506 1.00 0.00 O ATOM 155 CB VAL A 13 0.820 11.193 3.831 1.00 0.00 C ATOM 156 CG1 VAL A 13 -0.207 10.688 2.830 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.446 12.589 4.294 1.00 0.00 C ATOM 0 H VAL A 13 2.518 11.484 5.668 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.017 10.292 5.591 1.00 0.00 H new ATOM 0 HB VAL A 13 1.790 11.220 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.259 11.374 1.985 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.085 9.699 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.184 10.628 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.371 13.251 3.431 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.513 12.556 4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.211 12.964 4.974 1.00 0.00 H new ATOM 167 N CYS A 14 2.375 8.401 4.364 1.00 0.00 N ATOM 168 CA CYS A 14 2.644 7.022 3.972 1.00 0.00 C ATOM 169 C CYS A 14 2.421 6.088 5.158 1.00 0.00 C ATOM 170 O CYS A 14 1.986 4.950 4.990 1.00 0.00 O ATOM 171 CB CYS A 14 4.068 6.851 3.435 1.00 0.00 C ATOM 172 SG CYS A 14 5.348 6.677 4.724 1.00 0.00 S ATOM 0 H CYS A 14 3.199 8.998 4.435 1.00 0.00 H new ATOM 0 HA CYS A 14 1.952 6.766 3.169 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.097 5.972 2.791 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.313 7.711 2.811 1.00 0.00 H new ATOM 177 N LYS A 15 2.691 6.585 6.366 1.00 0.00 N ATOM 178 CA LYS A 15 2.575 5.764 7.561 1.00 0.00 C ATOM 179 C LYS A 15 1.104 5.549 7.892 1.00 0.00 C ATOM 180 O LYS A 15 0.716 4.509 8.423 1.00 0.00 O ATOM 181 CB LYS A 15 3.333 6.401 8.748 1.00 0.00 C ATOM 182 CG LYS A 15 2.543 7.427 9.548 1.00 0.00 C ATOM 183 CD LYS A 15 3.426 8.223 10.504 1.00 0.00 C ATOM 184 CE LYS A 15 4.120 7.333 11.521 1.00 0.00 C ATOM 185 NZ LYS A 15 4.770 8.121 12.603 1.00 0.00 N ATOM 0 H LYS A 15 2.989 7.545 6.537 1.00 0.00 H new ATOM 0 HA LYS A 15 3.034 4.794 7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.653 5.606 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.236 6.878 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.044 8.112 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.763 6.919 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.175 8.771 9.933 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.819 8.963 11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.394 6.648 11.958 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.870 6.723 11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.231 7.474 13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.482 8.757 12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.052 8.684 13.102 1.00 0.00 H new ATOM 199 N GLU A 16 0.291 6.538 7.554 1.00 0.00 N ATOM 200 CA GLU A 16 -1.147 6.428 7.688 1.00 0.00 C ATOM 201 C GLU A 16 -1.675 5.327 6.781 1.00 0.00 C ATOM 202 O GLU A 16 -2.389 4.424 7.228 1.00 0.00 O ATOM 203 CB GLU A 16 -1.809 7.756 7.331 1.00 0.00 C ATOM 204 CG GLU A 16 -1.572 8.851 8.355 1.00 0.00 C ATOM 205 CD GLU A 16 -2.161 8.500 9.699 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.328 8.056 9.736 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.467 8.661 10.723 1.00 0.00 O ATOM 0 H GLU A 16 0.610 7.432 7.182 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.385 6.179 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.435 8.089 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.882 7.599 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.501 9.023 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.011 9.783 7.998 1.00 0.00 H new ATOM 214 N PHE A 17 -1.295 5.405 5.510 1.00 0.00 N ATOM 215 CA PHE A 17 -1.729 4.442 4.508 1.00 0.00 C ATOM 216 C PHE A 17 -1.275 3.034 4.870 1.00 0.00 C ATOM 217 O PHE A 17 -2.093 2.115 4.929 1.00 0.00 O ATOM 218 CB PHE A 17 -1.177 4.832 3.132 1.00 0.00 C ATOM 219 CG PHE A 17 -1.661 3.957 2.004 1.00 0.00 C ATOM 220 CD1 PHE A 17 -1.036 2.748 1.725 1.00 0.00 C ATOM 221 CD2 PHE A 17 -2.735 4.346 1.221 1.00 0.00 C ATOM 222 CE1 PHE A 17 -1.476 1.948 0.689 1.00 0.00 C ATOM 223 CE2 PHE A 17 -3.178 3.548 0.182 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.548 2.348 -0.083 1.00 0.00 C ATOM 0 H PHE A 17 -0.681 6.134 5.148 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.818 4.452 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.454 5.865 2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.088 4.794 3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.196 2.430 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.232 5.283 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.982 1.010 0.483 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.016 3.863 -0.422 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.894 1.723 -0.893 1.00 0.00 H new ATOM 234 N LEU A 18 0.026 2.870 5.121 1.00 0.00 N ATOM 235 CA LEU A 18 0.594 1.551 5.359 1.00 0.00 C ATOM 236 C LEU A 18 -0.064 0.865 6.549 1.00 0.00 C ATOM 237 O LEU A 18 -0.464 -0.283 6.442 1.00 0.00 O ATOM 238 CB LEU A 18 2.112 1.625 5.560 1.00 0.00 C ATOM 239 CG LEU A 18 2.915 2.076 4.337 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.397 2.117 4.663 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.661 1.154 3.155 1.00 0.00 C ATOM 0 H LEU A 18 0.700 3.634 5.164 1.00 0.00 H new ATOM 0 HA LEU A 18 0.395 0.953 4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.320 2.310 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.469 0.642 5.866 1.00 0.00 H new ATOM 0 HG LEU A 18 2.588 3.080 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.954 2.439 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.571 2.818 5.480 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.732 1.123 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.242 1.494 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.958 0.138 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.600 1.168 2.904 1.00 0.00 H new ATOM 253 N ASN A 19 -0.204 1.575 7.666 1.00 0.00 N ATOM 254 CA ASN A 19 -0.801 0.987 8.870 1.00 0.00 C ATOM 255 C ASN A 19 -2.230 0.522 8.606 1.00 0.00 C ATOM 256 O ASN A 19 -2.592 -0.610 8.926 1.00 0.00 O ATOM 257 CB ASN A 19 -0.787 1.985 10.031 1.00 0.00 C ATOM 258 CG ASN A 19 -1.455 1.436 11.283 1.00 0.00 C ATOM 259 OD1 ASN A 19 -2.644 1.671 11.525 1.00 0.00 O ATOM 260 ND2 ASN A 19 -0.703 0.692 12.079 1.00 0.00 N ATOM 0 H ASN A 19 0.083 2.549 7.766 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.198 0.121 9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.244 2.254 10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.294 2.900 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.101 0.289 12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.275 0.521 11.844 1.00 0.00 H new ATOM 267 N ARG A 20 -3.032 1.400 8.015 1.00 0.00 N ATOM 268 CA ARG A 20 -4.422 1.088 7.703 1.00 0.00 C ATOM 269 C ARG A 20 -4.522 -0.091 6.738 1.00 0.00 C ATOM 270 O ARG A 20 -5.309 -1.013 6.952 1.00 0.00 O ATOM 271 CB ARG A 20 -5.110 2.317 7.109 1.00 0.00 C ATOM 272 CG ARG A 20 -5.293 3.450 8.105 1.00 0.00 C ATOM 273 CD ARG A 20 -5.752 4.731 7.425 1.00 0.00 C ATOM 274 NE ARG A 20 -6.993 4.552 6.671 1.00 0.00 N ATOM 275 CZ ARG A 20 -7.682 5.558 6.128 1.00 0.00 C ATOM 276 NH1 ARG A 20 -7.271 6.812 6.288 1.00 0.00 N ATOM 277 NH2 ARG A 20 -8.789 5.313 5.431 1.00 0.00 N ATOM 0 H ARG A 20 -2.742 2.339 7.741 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.924 0.806 8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.524 2.678 6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.085 2.025 6.720 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.024 3.157 8.859 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.353 3.632 8.626 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.897 5.506 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.969 5.082 6.752 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.352 3.605 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.427 7.007 6.827 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.799 7.579 5.872 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.114 4.354 5.310 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.313 6.085 5.018 1.00 0.00 H new ATOM 291 N PHE A 21 -3.709 -0.060 5.691 1.00 0.00 N ATOM 292 CA PHE A 21 -3.702 -1.114 4.681 1.00 0.00 C ATOM 293 C PHE A 21 -3.219 -2.430 5.282 1.00 0.00 C ATOM 294 O PHE A 21 -3.841 -3.480 5.103 1.00 0.00 O ATOM 295 CB PHE A 21 -2.791 -0.702 3.525 1.00 0.00 C ATOM 296 CG PHE A 21 -2.818 -1.640 2.355 1.00 0.00 C ATOM 297 CD1 PHE A 21 -3.923 -1.697 1.525 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.733 -2.456 2.079 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.949 -2.551 0.441 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.753 -3.314 0.997 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.863 -3.361 0.177 1.00 0.00 C ATOM 0 H PHE A 21 -3.040 0.690 5.517 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.718 -1.258 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.081 0.292 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.768 -0.627 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.776 -1.066 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.862 -2.421 2.717 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.818 -2.585 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.902 -3.947 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.881 -4.031 -0.670 1.00 0.00 H new ATOM 311 N TYR A 22 -2.113 -2.337 6.007 1.00 0.00 N ATOM 312 CA TYR A 22 -1.461 -3.479 6.635 1.00 0.00 C ATOM 313 C TYR A 22 -2.442 -4.305 7.461 1.00 0.00 C ATOM 314 O TYR A 22 -2.522 -5.521 7.304 1.00 0.00 O ATOM 315 CB TYR A 22 -0.304 -2.971 7.507 1.00 0.00 C ATOM 316 CG TYR A 22 0.393 -4.030 8.331 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.462 -4.746 7.810 1.00 0.00 C ATOM 318 CD2 TYR A 22 -0.010 -4.301 9.633 1.00 0.00 C ATOM 319 CE1 TYR A 22 2.110 -5.706 8.563 1.00 0.00 C ATOM 320 CE2 TYR A 22 0.632 -5.257 10.391 1.00 0.00 C ATOM 321 CZ TYR A 22 1.689 -5.958 9.853 1.00 0.00 C ATOM 322 OH TYR A 22 2.331 -6.914 10.608 1.00 0.00 O ATOM 0 H TYR A 22 -1.636 -1.452 6.178 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.074 -4.137 5.856 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.433 -2.492 6.862 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.687 -2.203 8.180 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.792 -4.550 6.801 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.839 -3.754 10.058 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.940 -6.256 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.308 -5.455 11.402 1.00 0.00 H new ATOM 0 HH TYR A 22 1.913 -6.967 11.493 1.00 0.00 H new ATOM 332 N LYS A 23 -3.200 -3.649 8.330 1.00 0.00 N ATOM 333 CA LYS A 23 -4.109 -4.365 9.210 1.00 0.00 C ATOM 334 C LYS A 23 -5.383 -4.783 8.480 1.00 0.00 C ATOM 335 O LYS A 23 -5.937 -5.844 8.759 1.00 0.00 O ATOM 336 CB LYS A 23 -4.422 -3.533 10.467 1.00 0.00 C ATOM 337 CG LYS A 23 -4.985 -2.139 10.206 1.00 0.00 C ATOM 338 CD LYS A 23 -6.492 -2.137 9.965 1.00 0.00 C ATOM 339 CE LYS A 23 -7.287 -2.436 11.233 1.00 0.00 C ATOM 340 NZ LYS A 23 -7.234 -3.870 11.627 1.00 0.00 N ATOM 0 H LYS A 23 -3.203 -2.635 8.443 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.612 -5.280 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.135 -4.085 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.508 -3.433 11.053 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.758 -1.497 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.484 -1.708 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.793 -1.166 9.572 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.736 -2.878 9.204 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.901 -1.826 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.326 -2.145 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.057 -4.098 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.246 -4.465 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.361 -4.051 12.162 1.00 0.00 H new ATOM 354 N SER A 24 -5.822 -3.969 7.527 1.00 0.00 N ATOM 355 CA SER A 24 -7.068 -4.224 6.808 1.00 0.00 C ATOM 356 C SER A 24 -6.985 -5.533 6.028 1.00 0.00 C ATOM 357 O SER A 24 -7.961 -6.279 5.924 1.00 0.00 O ATOM 358 CB SER A 24 -7.380 -3.058 5.864 1.00 0.00 C ATOM 359 OG SER A 24 -8.719 -3.114 5.405 1.00 0.00 O ATOM 0 H SER A 24 -5.333 -3.124 7.232 1.00 0.00 H new ATOM 0 HA SER A 24 -7.874 -4.313 7.536 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.209 -2.113 6.380 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.700 -3.084 5.013 1.00 0.00 H new ATOM 0 HG SER A 24 -8.891 -2.358 4.806 1.00 0.00 H new ATOM 365 N LEU A 25 -5.807 -5.816 5.498 1.00 0.00 N ATOM 366 CA LEU A 25 -5.576 -7.049 4.766 1.00 0.00 C ATOM 367 C LEU A 25 -5.515 -8.237 5.710 1.00 0.00 C ATOM 368 O LEU A 25 -5.851 -9.354 5.328 1.00 0.00 O ATOM 369 CB LEU A 25 -4.288 -6.938 3.958 1.00 0.00 C ATOM 370 CG LEU A 25 -4.490 -6.643 2.476 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.510 -5.529 2.277 1.00 0.00 C ATOM 372 CD2 LEU A 25 -3.164 -6.290 1.826 1.00 0.00 C ATOM 0 H LEU A 25 -4.993 -5.205 5.562 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.410 -7.209 4.082 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.670 -6.151 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.732 -7.870 4.057 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.881 -7.539 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.636 -5.337 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.465 -5.829 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.159 -4.622 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.322 -6.082 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.744 -5.409 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.473 -7.126 1.932 1.00 0.00 H new ATOM 384 N ILE A 26 -5.113 -7.988 6.948 1.00 0.00 N ATOM 385 CA ILE A 26 -5.073 -9.041 7.949 1.00 0.00 C ATOM 386 C ILE A 26 -6.491 -9.331 8.430 1.00 0.00 C ATOM 387 O ILE A 26 -6.834 -10.469 8.758 1.00 0.00 O ATOM 388 CB ILE A 26 -4.171 -8.659 9.148 1.00 0.00 C ATOM 389 CG1 ILE A 26 -2.754 -8.326 8.669 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.128 -9.784 10.177 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.060 -9.468 7.955 1.00 0.00 C ATOM 0 H ILE A 26 -4.812 -7.072 7.281 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.645 -9.933 7.491 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.598 -7.776 9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.800 -7.467 7.999 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.152 -8.029 9.528 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.488 -9.491 11.009 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.135 -9.979 10.545 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.730 -10.686 9.713 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.063 -9.153 7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.979 -10.322 8.627 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.638 -9.752 7.075 1.00 0.00 H new ATOM 403 N ASP A 27 -7.316 -8.287 8.458 1.00 0.00 N ATOM 404 CA ASP A 27 -8.732 -8.429 8.778 1.00 0.00 C ATOM 405 C ASP A 27 -9.434 -9.257 7.722 1.00 0.00 C ATOM 406 O ASP A 27 -10.042 -10.287 8.011 1.00 0.00 O ATOM 407 CB ASP A 27 -9.423 -7.067 8.820 1.00 0.00 C ATOM 408 CG ASP A 27 -9.020 -6.215 9.998 1.00 0.00 C ATOM 409 OD1 ASP A 27 -9.109 -6.691 11.147 1.00 0.00 O ATOM 410 OD2 ASP A 27 -8.614 -5.059 9.780 1.00 0.00 O ATOM 0 H ASP A 27 -7.025 -7.329 8.262 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.792 -8.914 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.198 -6.528 7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.502 -7.218 8.845 1.00 0.00 H new ATOM 415 N ARG A 28 -9.331 -8.788 6.491 1.00 0.00 N ATOM 416 CA ARG A 28 -10.028 -9.396 5.371 1.00 0.00 C ATOM 417 C ARG A 28 -9.380 -10.704 4.920 1.00 0.00 C ATOM 418 O ARG A 28 -10.023 -11.537 4.282 1.00 0.00 O ATOM 419 CB ARG A 28 -10.124 -8.411 4.207 1.00 0.00 C ATOM 420 CG ARG A 28 -11.065 -7.253 4.483 1.00 0.00 C ATOM 421 CD ARG A 28 -11.365 -6.451 3.226 1.00 0.00 C ATOM 422 NE ARG A 28 -10.168 -5.843 2.650 1.00 0.00 N ATOM 423 CZ ARG A 28 -9.918 -4.535 2.676 1.00 0.00 C ATOM 424 NH1 ARG A 28 -10.755 -3.707 3.293 1.00 0.00 N ATOM 425 NH2 ARG A 28 -8.835 -4.055 2.081 1.00 0.00 N ATOM 0 H ARG A 28 -8.764 -7.978 6.240 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.033 -9.643 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.131 -8.020 3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.462 -8.942 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.997 -7.635 4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.624 -6.598 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.830 -7.102 2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.088 -5.670 3.461 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.485 -6.455 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.591 -4.073 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.561 -2.706 3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.193 -4.687 1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.644 -3.053 2.101 1.00 0.00 H new ATOM 439 N GLY A 29 -8.107 -10.874 5.261 1.00 0.00 N ATOM 440 CA GLY A 29 -7.390 -12.094 4.928 1.00 0.00 C ATOM 441 C GLY A 29 -7.228 -12.279 3.435 1.00 0.00 C ATOM 442 O GLY A 29 -7.440 -13.371 2.910 1.00 0.00 O ATOM 0 H GLY A 29 -7.554 -10.182 5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.407 -12.074 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.923 -12.950 5.342 1.00 0.00 H new ATOM 446 N VAL A 30 -6.831 -11.216 2.749 1.00 0.00 N ATOM 447 CA VAL A 30 -6.776 -11.222 1.299 1.00 0.00 C ATOM 448 C VAL A 30 -5.371 -11.525 0.796 1.00 0.00 C ATOM 449 O VAL A 30 -5.106 -11.535 -0.404 1.00 0.00 O ATOM 450 CB VAL A 30 -7.230 -9.861 0.736 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.469 -9.354 1.452 1.00 0.00 C ATOM 452 CG2 VAL A 30 -6.110 -8.840 0.831 1.00 0.00 C ATOM 0 H VAL A 30 -6.542 -10.337 3.178 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.449 -12.007 0.953 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.482 -10.005 -0.315 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.764 -8.392 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.281 -10.070 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.253 -9.235 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.452 -7.887 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.823 -8.711 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.250 -9.189 0.259 1.00 0.00 H new ATOM 462 N ASN A 31 -4.491 -11.806 1.723 1.00 0.00 N ATOM 463 CA ASN A 31 -3.070 -11.908 1.424 1.00 0.00 C ATOM 464 C ASN A 31 -2.703 -13.273 0.865 1.00 0.00 C ATOM 465 O ASN A 31 -3.585 -14.074 0.549 1.00 0.00 O ATOM 466 CB ASN A 31 -2.260 -11.620 2.662 1.00 0.00 C ATOM 467 CG ASN A 31 -2.466 -10.211 3.170 1.00 0.00 C ATOM 468 OD1 ASN A 31 -3.321 -9.970 4.016 1.00 0.00 O ATOM 469 ND2 ASN A 31 -1.692 -9.273 2.645 1.00 0.00 N ATOM 0 H ASN A 31 -4.728 -11.971 2.701 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.841 -11.168 0.658 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.532 -12.329 3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.203 -11.774 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.794 -8.303 2.942 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.994 -9.521 1.944 1.00 0.00 H new ATOM 476 N PHE A 32 -1.393 -13.516 0.732 1.00 0.00 N ATOM 477 CA PHE A 32 -0.853 -14.744 0.135 1.00 0.00 C ATOM 478 C PHE A 32 -1.079 -14.771 -1.377 1.00 0.00 C ATOM 479 O PHE A 32 -0.251 -15.281 -2.129 1.00 0.00 O ATOM 480 CB PHE A 32 -1.440 -15.993 0.798 1.00 0.00 C ATOM 481 CG PHE A 32 -0.991 -16.187 2.221 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.201 -16.835 2.501 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.759 -15.720 3.274 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.617 -17.015 3.807 1.00 0.00 C ATOM 485 CE2 PHE A 32 -1.348 -15.897 4.582 1.00 0.00 C ATOM 486 CZ PHE A 32 -0.159 -16.545 4.848 1.00 0.00 C ATOM 0 H PHE A 32 -0.673 -12.861 1.038 1.00 0.00 H new ATOM 0 HA PHE A 32 0.222 -14.747 0.314 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.528 -15.929 0.775 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.159 -16.870 0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.812 -17.204 1.690 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.690 -15.212 3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.548 -17.523 4.013 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.957 -15.529 5.395 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.164 -16.684 5.869 1.00 0.00 H new ATOM 496 N SER A 33 -2.203 -14.223 -1.809 1.00 0.00 N ATOM 497 CA SER A 33 -2.487 -14.050 -3.218 1.00 0.00 C ATOM 498 C SER A 33 -1.928 -12.714 -3.695 1.00 0.00 C ATOM 499 O SER A 33 -2.506 -11.657 -3.427 1.00 0.00 O ATOM 500 CB SER A 33 -3.996 -14.106 -3.444 1.00 0.00 C ATOM 501 OG SER A 33 -4.545 -15.277 -2.867 1.00 0.00 O ATOM 0 H SER A 33 -2.941 -13.887 -1.191 1.00 0.00 H new ATOM 0 HA SER A 33 -2.014 -14.850 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.467 -13.225 -3.009 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.210 -14.086 -4.513 1.00 0.00 H new ATOM 0 HG SER A 33 -5.513 -15.295 -3.020 1.00 0.00 H new ATOM 507 N LEU A 34 -0.800 -12.768 -4.391 1.00 0.00 N ATOM 508 CA LEU A 34 -0.107 -11.568 -4.849 1.00 0.00 C ATOM 509 C LEU A 34 -1.000 -10.725 -5.750 1.00 0.00 C ATOM 510 O LEU A 34 -0.995 -9.497 -5.666 1.00 0.00 O ATOM 511 CB LEU A 34 1.186 -11.944 -5.582 1.00 0.00 C ATOM 512 CG LEU A 34 2.423 -12.151 -4.693 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.797 -10.859 -3.997 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.195 -13.248 -3.663 1.00 0.00 C ATOM 0 H LEU A 34 -0.340 -13.640 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 34 0.146 -10.972 -3.972 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.009 -12.861 -6.145 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.410 -11.162 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 34 3.244 -12.461 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.675 -11.023 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.020 -10.096 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.966 -10.527 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.091 -13.366 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.354 -12.978 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.977 -14.186 -4.173 1.00 0.00 H new ATOM 526 N ASP A 35 -1.776 -11.392 -6.598 1.00 0.00 N ATOM 527 CA ASP A 35 -2.710 -10.710 -7.493 1.00 0.00 C ATOM 528 C ASP A 35 -3.748 -9.931 -6.695 1.00 0.00 C ATOM 529 O ASP A 35 -4.139 -8.824 -7.070 1.00 0.00 O ATOM 530 CB ASP A 35 -3.421 -11.715 -8.404 1.00 0.00 C ATOM 531 CG ASP A 35 -2.477 -12.442 -9.335 1.00 0.00 C ATOM 532 OD1 ASP A 35 -1.804 -13.391 -8.884 1.00 0.00 O ATOM 533 OD2 ASP A 35 -2.411 -12.082 -10.528 1.00 0.00 O ATOM 0 H ASP A 35 -1.778 -12.408 -6.686 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.135 -10.017 -8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.948 -12.444 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.173 -11.192 -8.995 1.00 0.00 H new ATOM 538 N THR A 36 -4.176 -10.517 -5.588 1.00 0.00 N ATOM 539 CA THR A 36 -5.190 -9.919 -4.736 1.00 0.00 C ATOM 540 C THR A 36 -4.639 -8.746 -3.943 1.00 0.00 C ATOM 541 O THR A 36 -5.262 -7.686 -3.889 1.00 0.00 O ATOM 542 CB THR A 36 -5.783 -10.975 -3.781 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.561 -11.919 -4.526 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.639 -10.344 -2.694 1.00 0.00 C ATOM 0 H THR A 36 -3.831 -11.418 -5.256 1.00 0.00 H new ATOM 0 HA THR A 36 -5.980 -9.540 -5.384 1.00 0.00 H new ATOM 0 HB THR A 36 -4.952 -11.483 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.934 -12.589 -3.916 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.036 -11.124 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.031 -9.657 -2.106 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.464 -9.798 -3.152 1.00 0.00 H new ATOM 552 N ILE A 37 -3.470 -8.922 -3.345 1.00 0.00 N ATOM 553 CA ILE A 37 -2.837 -7.841 -2.607 1.00 0.00 C ATOM 554 C ILE A 37 -2.585 -6.668 -3.549 1.00 0.00 C ATOM 555 O ILE A 37 -2.638 -5.504 -3.154 1.00 0.00 O ATOM 556 CB ILE A 37 -1.504 -8.293 -1.972 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.710 -9.576 -1.166 1.00 0.00 C ATOM 558 CG2 ILE A 37 -0.938 -7.194 -1.080 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.421 -10.201 -0.683 1.00 0.00 C ATOM 0 H ILE A 37 -2.945 -9.796 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.506 -7.539 -1.801 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.790 -8.492 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.343 -9.357 -0.306 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.247 -10.299 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.001 -7.530 -0.641 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.761 -6.298 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.649 -6.968 -0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.645 -11.107 -0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.205 -10.452 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.107 -9.496 -0.042 1.00 0.00 H new ATOM 571 N GLU A 38 -2.338 -7.004 -4.808 1.00 0.00 N ATOM 572 CA GLU A 38 -2.095 -6.019 -5.845 1.00 0.00 C ATOM 573 C GLU A 38 -3.376 -5.255 -6.173 1.00 0.00 C ATOM 574 O GLU A 38 -3.376 -4.029 -6.300 1.00 0.00 O ATOM 575 CB GLU A 38 -1.544 -6.730 -7.082 1.00 0.00 C ATOM 576 CG GLU A 38 -1.015 -5.809 -8.163 1.00 0.00 C ATOM 577 CD GLU A 38 -0.351 -6.581 -9.283 1.00 0.00 C ATOM 578 OE1 GLU A 38 -1.064 -7.034 -10.204 1.00 0.00 O ATOM 579 OE2 GLU A 38 0.885 -6.757 -9.242 1.00 0.00 O ATOM 0 H GLU A 38 -2.301 -7.969 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.364 -5.290 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.742 -7.400 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.332 -7.351 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.834 -5.214 -8.567 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.299 -5.111 -7.728 1.00 0.00 H new ATOM 586 N LYS A 39 -4.466 -5.992 -6.281 1.00 0.00 N ATOM 587 CA LYS A 39 -5.767 -5.412 -6.563 1.00 0.00 C ATOM 588 C LYS A 39 -6.226 -4.553 -5.383 1.00 0.00 C ATOM 589 O LYS A 39 -6.747 -3.454 -5.567 1.00 0.00 O ATOM 590 CB LYS A 39 -6.760 -6.545 -6.871 1.00 0.00 C ATOM 591 CG LYS A 39 -8.164 -6.086 -7.225 1.00 0.00 C ATOM 592 CD LYS A 39 -8.958 -5.746 -5.982 1.00 0.00 C ATOM 593 CE LYS A 39 -10.282 -5.097 -6.321 1.00 0.00 C ATOM 594 NZ LYS A 39 -11.075 -4.813 -5.098 1.00 0.00 N ATOM 0 H LYS A 39 -4.475 -7.007 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.710 -4.758 -7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.368 -7.137 -7.698 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.817 -7.204 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.111 -5.213 -7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.676 -6.870 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.135 -6.653 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.375 -5.075 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.105 -4.169 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.851 -5.751 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.089 -4.845 -5.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.861 -5.526 -4.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.831 -3.868 -4.738 1.00 0.00 H new ATOM 608 N GLU A 40 -6.009 -5.056 -4.178 1.00 0.00 N ATOM 609 CA GLU A 40 -6.409 -4.351 -2.967 1.00 0.00 C ATOM 610 C GLU A 40 -5.593 -3.088 -2.764 1.00 0.00 C ATOM 611 O GLU A 40 -6.105 -2.102 -2.231 1.00 0.00 O ATOM 612 CB GLU A 40 -6.297 -5.256 -1.742 1.00 0.00 C ATOM 613 CG GLU A 40 -7.421 -6.271 -1.643 1.00 0.00 C ATOM 614 CD GLU A 40 -8.785 -5.613 -1.626 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.097 -4.917 -0.638 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.545 -5.777 -2.602 1.00 0.00 O ATOM 0 H GLU A 40 -5.556 -5.954 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.453 -4.063 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.343 -5.782 -1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.292 -4.640 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.362 -6.960 -2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.294 -6.864 -0.737 1.00 0.00 H new ATOM 623 N LEU A 41 -4.328 -3.122 -3.172 1.00 0.00 N ATOM 624 CA LEU A 41 -3.521 -1.911 -3.218 1.00 0.00 C ATOM 625 C LEU A 41 -4.244 -0.861 -4.037 1.00 0.00 C ATOM 626 O LEU A 41 -4.474 0.255 -3.577 1.00 0.00 O ATOM 627 CB LEU A 41 -2.146 -2.186 -3.834 1.00 0.00 C ATOM 628 CG LEU A 41 -1.052 -2.612 -2.855 1.00 0.00 C ATOM 629 CD1 LEU A 41 0.209 -2.999 -3.610 1.00 0.00 C ATOM 630 CD2 LEU A 41 -0.753 -1.489 -1.873 1.00 0.00 C ATOM 0 H LEU A 41 -3.844 -3.968 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.371 -1.555 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.256 -2.965 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.814 -1.286 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.405 -3.479 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.980 -3.300 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.010 -3.829 -4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.562 -2.146 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.028 -1.808 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.417 -0.608 -2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.656 -1.246 -1.313 1.00 0.00 H new ATOM 642 N ILE A 42 -4.646 -1.257 -5.235 1.00 0.00 N ATOM 643 CA ILE A 42 -5.345 -0.373 -6.150 1.00 0.00 C ATOM 644 C ILE A 42 -6.635 0.157 -5.524 1.00 0.00 C ATOM 645 O ILE A 42 -6.884 1.367 -5.514 1.00 0.00 O ATOM 646 CB ILE A 42 -5.657 -1.111 -7.468 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.359 -1.417 -8.218 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.612 -0.312 -8.336 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.555 -2.278 -9.445 1.00 0.00 C ATOM 0 H ILE A 42 -4.496 -2.198 -5.598 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.697 0.477 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.150 -2.052 -7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.891 -0.478 -8.515 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.667 -1.918 -7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.811 -0.860 -9.257 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.547 -0.154 -7.798 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.165 0.652 -8.577 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.592 -2.453 -9.924 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.994 -3.232 -9.154 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -5.221 -1.771 -10.143 1.00 0.00 H new ATOM 661 N SER A 43 -7.437 -0.751 -4.982 1.00 0.00 N ATOM 662 CA SER A 43 -8.698 -0.382 -4.350 1.00 0.00 C ATOM 663 C SER A 43 -8.482 0.595 -3.201 1.00 0.00 C ATOM 664 O SER A 43 -9.137 1.631 -3.133 1.00 0.00 O ATOM 665 CB SER A 43 -9.415 -1.628 -3.840 1.00 0.00 C ATOM 666 OG SER A 43 -9.679 -2.519 -4.902 1.00 0.00 O ATOM 0 H SER A 43 -7.236 -1.751 -4.967 1.00 0.00 H new ATOM 0 HA SER A 43 -9.314 0.110 -5.102 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.803 -2.123 -3.086 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.349 -1.344 -3.356 1.00 0.00 H new ATOM 0 HG SER A 43 -8.835 -2.889 -5.236 1.00 0.00 H new ATOM 672 N PHE A 44 -7.544 0.277 -2.319 1.00 0.00 N ATOM 673 CA PHE A 44 -7.318 1.080 -1.124 1.00 0.00 C ATOM 674 C PHE A 44 -6.769 2.451 -1.507 1.00 0.00 C ATOM 675 O PHE A 44 -7.034 3.447 -0.836 1.00 0.00 O ATOM 676 CB PHE A 44 -6.354 0.361 -0.177 1.00 0.00 C ATOM 677 CG PHE A 44 -6.458 0.812 1.254 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.363 0.210 2.115 1.00 0.00 C ATOM 679 CD2 PHE A 44 -5.655 1.831 1.739 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.463 0.616 3.432 1.00 0.00 C ATOM 681 CE2 PHE A 44 -5.751 2.242 3.055 1.00 0.00 C ATOM 682 CZ PHE A 44 -6.655 1.634 3.902 1.00 0.00 C ATOM 0 H PHE A 44 -6.927 -0.531 -2.408 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.268 1.219 -0.609 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.545 -0.711 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.333 0.519 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -7.997 -0.585 1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.945 2.310 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.171 0.139 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.119 3.038 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.731 1.953 4.931 1.00 0.00 H new ATOM 692 N CYS A 45 -6.015 2.487 -2.598 1.00 0.00 N ATOM 693 CA CYS A 45 -5.472 3.732 -3.125 1.00 0.00 C ATOM 694 C CYS A 45 -6.573 4.669 -3.596 1.00 0.00 C ATOM 695 O CYS A 45 -6.466 5.881 -3.448 1.00 0.00 O ATOM 696 CB CYS A 45 -4.537 3.448 -4.292 1.00 0.00 C ATOM 697 SG CYS A 45 -2.933 2.741 -3.817 1.00 0.00 S ATOM 0 H CYS A 45 -5.764 1.660 -3.139 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.925 4.214 -2.315 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.033 2.763 -4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.364 4.376 -4.837 1.00 0.00 H new ATOM 702 N LEU A 46 -7.610 4.106 -4.194 1.00 0.00 N ATOM 703 CA LEU A 46 -8.720 4.900 -4.704 1.00 0.00 C ATOM 704 C LEU A 46 -9.748 5.157 -3.599 1.00 0.00 C ATOM 705 O LEU A 46 -10.332 6.239 -3.511 1.00 0.00 O ATOM 706 CB LEU A 46 -9.361 4.175 -5.898 1.00 0.00 C ATOM 707 CG LEU A 46 -10.214 5.034 -6.848 1.00 0.00 C ATOM 708 CD1 LEU A 46 -11.574 5.354 -6.244 1.00 0.00 C ATOM 709 CD2 LEU A 46 -9.476 6.316 -7.211 1.00 0.00 C ATOM 0 H LEU A 46 -7.708 3.101 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.348 5.868 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.566 3.709 -6.481 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.987 3.370 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.384 4.456 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.149 5.962 -6.943 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.110 4.427 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.438 5.903 -5.312 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.092 6.913 -7.883 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.270 6.886 -6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.536 6.068 -7.705 1.00 0.00 H new ATOM 721 N ASP A 47 -9.936 4.159 -2.746 1.00 0.00 N ATOM 722 CA ASP A 47 -10.949 4.195 -1.688 1.00 0.00 C ATOM 723 C ASP A 47 -10.665 5.291 -0.660 1.00 0.00 C ATOM 724 O ASP A 47 -11.569 5.749 0.041 1.00 0.00 O ATOM 725 CB ASP A 47 -11.012 2.829 -0.997 1.00 0.00 C ATOM 726 CG ASP A 47 -12.097 2.743 0.055 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.278 2.574 -0.313 1.00 0.00 O ATOM 728 OD2 ASP A 47 -11.770 2.823 1.258 1.00 0.00 O ATOM 0 H ASP A 47 -9.391 3.297 -2.764 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.910 4.424 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.180 2.057 -1.748 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.048 2.618 -0.534 1.00 0.00 H new ATOM 733 N THR A 48 -9.413 5.709 -0.584 1.00 0.00 N ATOM 734 CA THR A 48 -8.997 6.743 0.346 1.00 0.00 C ATOM 735 C THR A 48 -9.405 8.133 -0.138 1.00 0.00 C ATOM 736 O THR A 48 -10.174 8.270 -1.093 1.00 0.00 O ATOM 737 CB THR A 48 -7.476 6.699 0.535 1.00 0.00 C ATOM 738 OG1 THR A 48 -6.863 6.114 -0.620 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.106 5.902 1.778 1.00 0.00 C ATOM 0 H THR A 48 -8.659 5.342 -1.164 1.00 0.00 H new ATOM 0 HA THR A 48 -9.496 6.551 1.296 1.00 0.00 H new ATOM 0 HB THR A 48 -7.114 7.719 0.663 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.697 5.162 -0.455 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.022 5.885 1.890 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.555 6.368 2.656 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.476 4.882 1.679 1.00 0.00 H new ATOM 747 N LYS A 49 -8.891 9.161 0.519 1.00 0.00 N ATOM 748 CA LYS A 49 -9.206 10.528 0.148 1.00 0.00 C ATOM 749 C LYS A 49 -8.111 11.111 -0.727 1.00 0.00 C ATOM 750 O LYS A 49 -7.085 10.470 -0.943 1.00 0.00 O ATOM 751 CB LYS A 49 -9.400 11.384 1.394 1.00 0.00 C ATOM 752 CG LYS A 49 -10.482 10.860 2.320 1.00 0.00 C ATOM 753 CD LYS A 49 -10.605 11.721 3.565 1.00 0.00 C ATOM 754 CE LYS A 49 -11.673 11.199 4.508 1.00 0.00 C ATOM 755 NZ LYS A 49 -11.801 12.053 5.717 1.00 0.00 N ATOM 0 H LYS A 49 -8.254 9.073 1.311 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.135 10.524 -0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.458 11.437 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.651 12.401 1.092 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.436 10.839 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -10.254 9.833 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.646 11.751 4.083 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.843 12.745 3.277 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.630 11.158 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.429 10.179 4.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.540 11.666 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.895 12.072 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.058 13.020 5.433 1.00 0.00 H new ATOM 769 N GLY A 50 -8.330 12.333 -1.204 1.00 0.00 N ATOM 770 CA GLY A 50 -7.473 12.928 -2.220 1.00 0.00 C ATOM 771 C GLY A 50 -5.988 12.854 -1.912 1.00 0.00 C ATOM 772 O GLY A 50 -5.183 12.586 -2.808 1.00 0.00 O ATOM 0 H GLY A 50 -9.098 12.932 -0.900 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.659 12.430 -3.172 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.753 13.974 -2.347 1.00 0.00 H new ATOM 776 N LYS A 51 -5.619 13.086 -0.659 1.00 0.00 N ATOM 777 CA LYS A 51 -4.215 13.046 -0.264 1.00 0.00 C ATOM 778 C LYS A 51 -3.638 11.653 -0.486 1.00 0.00 C ATOM 779 O LYS A 51 -2.596 11.498 -1.122 1.00 0.00 O ATOM 780 CB LYS A 51 -4.051 13.445 1.204 1.00 0.00 C ATOM 781 CG LYS A 51 -2.608 13.704 1.617 1.00 0.00 C ATOM 782 CD LYS A 51 -1.959 14.833 0.818 1.00 0.00 C ATOM 783 CE LYS A 51 -2.495 16.213 1.197 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.855 16.479 0.651 1.00 0.00 N ATOM 0 H LYS A 51 -6.267 13.303 0.098 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.672 13.760 -0.883 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.639 14.343 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.462 12.655 1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.577 13.951 2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.027 12.791 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.881 14.811 0.977 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.128 14.663 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.522 16.300 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.808 16.976 0.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.885 17.436 0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.075 15.782 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.556 16.406 1.415 1.00 0.00 H new ATOM 798 N GLU A 52 -4.330 10.646 0.027 1.00 0.00 N ATOM 799 CA GLU A 52 -3.876 9.269 -0.082 1.00 0.00 C ATOM 800 C GLU A 52 -4.023 8.766 -1.517 1.00 0.00 C ATOM 801 O GLU A 52 -3.205 7.974 -1.993 1.00 0.00 O ATOM 802 CB GLU A 52 -4.653 8.355 0.868 1.00 0.00 C ATOM 803 CG GLU A 52 -4.834 8.906 2.278 1.00 0.00 C ATOM 804 CD GLU A 52 -6.043 9.817 2.404 1.00 0.00 C ATOM 805 OE1 GLU A 52 -5.900 11.038 2.194 1.00 0.00 O ATOM 806 OE2 GLU A 52 -7.143 9.313 2.715 1.00 0.00 O ATOM 0 H GLU A 52 -5.213 10.759 0.525 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.823 9.245 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.636 8.161 0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.138 7.397 0.931 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.936 8.076 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.938 9.457 2.566 1.00 0.00 H new ATOM 813 N ASN A 53 -5.066 9.232 -2.204 1.00 0.00 N ATOM 814 CA ASN A 53 -5.260 8.897 -3.612 1.00 0.00 C ATOM 815 C ASN A 53 -4.033 9.330 -4.409 1.00 0.00 C ATOM 816 O ASN A 53 -3.505 8.575 -5.228 1.00 0.00 O ATOM 817 CB ASN A 53 -6.509 9.575 -4.204 1.00 0.00 C ATOM 818 CG ASN A 53 -7.821 9.211 -3.525 1.00 0.00 C ATOM 819 OD1 ASN A 53 -8.772 9.995 -3.539 1.00 0.00 O ATOM 820 ND2 ASN A 53 -7.899 8.029 -2.942 1.00 0.00 N ATOM 0 H ASN A 53 -5.785 9.839 -1.810 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.402 7.818 -3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.377 10.656 -4.150 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.579 9.314 -5.260 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.765 7.742 -2.486 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.094 7.403 -2.948 1.00 0.00 H new ATOM 827 N ARG A 54 -3.571 10.549 -4.140 1.00 0.00 N ATOM 828 CA ARG A 54 -2.379 11.083 -4.787 1.00 0.00 C ATOM 829 C ARG A 54 -1.128 10.382 -4.260 1.00 0.00 C ATOM 830 O ARG A 54 -0.191 10.106 -5.009 1.00 0.00 O ATOM 831 CB ARG A 54 -2.273 12.591 -4.546 1.00 0.00 C ATOM 832 CG ARG A 54 -1.107 13.245 -5.269 1.00 0.00 C ATOM 833 CD ARG A 54 -1.262 13.140 -6.775 1.00 0.00 C ATOM 834 NE ARG A 54 -0.071 13.599 -7.488 1.00 0.00 N ATOM 835 CZ ARG A 54 0.124 13.422 -8.794 1.00 0.00 C ATOM 836 NH1 ARG A 54 -0.842 12.913 -9.550 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.270 13.794 -9.347 1.00 0.00 N ATOM 0 H ARG A 54 -4.008 11.187 -3.475 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.459 10.902 -5.859 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.200 13.067 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.174 12.773 -3.476 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.040 14.294 -4.981 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.175 12.770 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.468 12.104 -7.046 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.122 13.730 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 54 0.652 14.082 -6.955 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.736 12.657 -9.131 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.690 12.779 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.000 14.215 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.421 13.659 -10.347 1.00 0.00 H new ATOM 851 N LEU A 55 -1.139 10.091 -2.967 1.00 0.00 N ATOM 852 CA LEU A 55 -0.043 9.394 -2.298 1.00 0.00 C ATOM 853 C LEU A 55 0.297 8.082 -2.998 1.00 0.00 C ATOM 854 O LEU A 55 1.456 7.664 -3.032 1.00 0.00 O ATOM 855 CB LEU A 55 -0.433 9.118 -0.846 1.00 0.00 C ATOM 856 CG LEU A 55 0.469 8.152 -0.080 1.00 0.00 C ATOM 857 CD1 LEU A 55 1.817 8.787 0.223 1.00 0.00 C ATOM 858 CD2 LEU A 55 -0.225 7.705 1.193 1.00 0.00 C ATOM 0 H LEU A 55 -1.912 10.332 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 55 0.841 10.031 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.453 10.067 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.449 8.723 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 55 0.656 7.277 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.439 8.078 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.310 9.058 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.670 9.681 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.421 7.016 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.436 8.574 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.160 7.204 0.941 1.00 0.00 H new ATOM 870 N CYS A 56 -0.709 7.442 -3.571 1.00 0.00 N ATOM 871 CA CYS A 56 -0.512 6.151 -4.205 1.00 0.00 C ATOM 872 C CYS A 56 0.320 6.260 -5.483 1.00 0.00 C ATOM 873 O CYS A 56 0.810 5.256 -5.990 1.00 0.00 O ATOM 874 CB CYS A 56 -1.845 5.470 -4.487 1.00 0.00 C ATOM 875 SG CYS A 56 -1.657 3.743 -5.021 1.00 0.00 S ATOM 0 H CYS A 56 -1.666 7.794 -3.610 1.00 0.00 H new ATOM 0 HA CYS A 56 0.049 5.534 -3.503 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.461 5.502 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -2.376 6.028 -5.258 1.00 0.00 H new ATOM 880 N TYR A 57 0.493 7.469 -6.004 1.00 0.00 N ATOM 881 CA TYR A 57 1.387 7.660 -7.139 1.00 0.00 C ATOM 882 C TYR A 57 2.832 7.550 -6.674 1.00 0.00 C ATOM 883 O TYR A 57 3.705 7.114 -7.420 1.00 0.00 O ATOM 884 CB TYR A 57 1.143 9.004 -7.827 1.00 0.00 C ATOM 885 CG TYR A 57 -0.159 9.062 -8.591 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.328 9.473 -7.968 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.218 8.709 -9.935 1.00 0.00 C ATOM 888 CE1 TYR A 57 -2.521 9.531 -8.657 1.00 0.00 C ATOM 889 CE2 TYR A 57 -1.411 8.766 -10.633 1.00 0.00 C ATOM 890 CZ TYR A 57 -2.560 9.178 -9.989 1.00 0.00 C ATOM 891 OH TYR A 57 -3.751 9.238 -10.676 1.00 0.00 O ATOM 0 H TYR A 57 0.036 8.316 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 57 1.183 6.880 -7.872 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.150 9.794 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.966 9.208 -8.512 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.303 9.752 -6.925 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.680 8.386 -10.441 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.422 9.852 -8.155 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.443 8.490 -11.677 1.00 0.00 H new ATOM 0 HH TYR A 57 -3.608 8.958 -11.604 1.00 0.00 H new ATOM 901 N TYR A 58 3.066 7.921 -5.420 1.00 0.00 N ATOM 902 CA TYR A 58 4.373 7.756 -4.804 1.00 0.00 C ATOM 903 C TYR A 58 4.593 6.287 -4.470 1.00 0.00 C ATOM 904 O TYR A 58 5.658 5.729 -4.731 1.00 0.00 O ATOM 905 CB TYR A 58 4.486 8.594 -3.526 1.00 0.00 C ATOM 906 CG TYR A 58 4.349 10.086 -3.733 1.00 0.00 C ATOM 907 CD1 TYR A 58 3.100 10.690 -3.798 1.00 0.00 C ATOM 908 CD2 TYR A 58 5.474 10.893 -3.847 1.00 0.00 C ATOM 909 CE1 TYR A 58 2.975 12.053 -3.974 1.00 0.00 C ATOM 910 CE2 TYR A 58 5.358 12.258 -4.021 1.00 0.00 C ATOM 911 CZ TYR A 58 4.106 12.833 -4.084 1.00 0.00 C ATOM 912 OH TYR A 58 3.986 14.194 -4.256 1.00 0.00 O ATOM 0 H TYR A 58 2.363 8.339 -4.810 1.00 0.00 H new ATOM 0 HA TYR A 58 5.133 8.096 -5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.719 8.267 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.451 8.393 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.211 10.083 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.456 10.445 -3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 58 1.996 12.506 -4.025 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.243 12.872 -4.107 1.00 0.00 H new ATOM 0 HH TYR A 58 4.878 14.596 -4.314 1.00 0.00 H new ATOM 922 N LEU A 59 3.559 5.668 -3.901 1.00 0.00 N ATOM 923 CA LEU A 59 3.597 4.253 -3.540 1.00 0.00 C ATOM 924 C LEU A 59 3.661 3.372 -4.785 1.00 0.00 C ATOM 925 O LEU A 59 4.165 2.254 -4.738 1.00 0.00 O ATOM 926 CB LEU A 59 2.367 3.893 -2.699 1.00 0.00 C ATOM 927 CG LEU A 59 2.274 4.600 -1.343 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.900 4.392 -0.730 1.00 0.00 C ATOM 929 CD2 LEU A 59 3.350 4.093 -0.394 1.00 0.00 C ATOM 0 H LEU A 59 2.677 6.130 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 59 4.497 4.074 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.472 4.127 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.365 2.816 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 59 2.431 5.666 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.850 4.900 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.139 4.800 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.723 3.326 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.264 4.609 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.224 3.021 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.333 4.285 -0.823 1.00 0.00 H new ATOM 941 N GLY A 60 3.119 3.875 -5.886 1.00 0.00 N ATOM 942 CA GLY A 60 3.262 3.204 -7.163 1.00 0.00 C ATOM 943 C GLY A 60 2.139 2.233 -7.472 1.00 0.00 C ATOM 944 O GLY A 60 2.034 1.756 -8.595 1.00 0.00 O ATOM 0 H GLY A 60 2.580 4.740 -5.917 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.310 3.953 -7.953 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.210 2.665 -7.176 1.00 0.00 H new ATOM 948 N ALA A 61 1.283 1.959 -6.487 1.00 0.00 N ATOM 949 CA ALA A 61 0.228 0.949 -6.639 1.00 0.00 C ATOM 950 C ALA A 61 -0.829 1.365 -7.662 1.00 0.00 C ATOM 951 O ALA A 61 -1.613 0.538 -8.125 1.00 0.00 O ATOM 952 CB ALA A 61 -0.431 0.657 -5.300 1.00 0.00 C ATOM 0 H ALA A 61 1.297 2.419 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 61 0.707 0.043 -7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.210 -0.094 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.317 0.283 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.873 1.572 -4.905 1.00 0.00 H new ATOM 958 N THR A 62 -0.854 2.644 -8.006 1.00 0.00 N ATOM 959 CA THR A 62 -1.780 3.141 -9.009 1.00 0.00 C ATOM 960 C THR A 62 -1.344 2.663 -10.394 1.00 0.00 C ATOM 961 O THR A 62 -0.152 2.682 -10.707 1.00 0.00 O ATOM 962 CB THR A 62 -1.829 4.683 -8.982 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.051 5.134 -7.642 1.00 0.00 O ATOM 964 CG2 THR A 62 -2.932 5.222 -9.876 1.00 0.00 C ATOM 0 H THR A 62 -0.243 3.355 -7.605 1.00 0.00 H new ATOM 0 HA THR A 62 -2.775 2.756 -8.788 1.00 0.00 H new ATOM 0 HB THR A 62 -0.873 5.053 -9.353 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.117 4.361 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.937 6.311 -9.832 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.757 4.901 -10.903 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.895 4.841 -9.536 1.00 0.00 H new ATOM 972 N LYS A 63 -2.305 2.253 -11.224 1.00 0.00 N ATOM 973 CA LYS A 63 -2.006 1.711 -12.553 1.00 0.00 C ATOM 974 C LYS A 63 -1.599 2.814 -13.531 1.00 0.00 C ATOM 975 O LYS A 63 -2.083 2.875 -14.664 1.00 0.00 O ATOM 976 CB LYS A 63 -3.210 0.947 -13.106 1.00 0.00 C ATOM 977 CG LYS A 63 -3.596 -0.270 -12.283 1.00 0.00 C ATOM 978 CD LYS A 63 -4.749 -1.033 -12.919 1.00 0.00 C ATOM 979 CE LYS A 63 -4.380 -1.570 -14.295 1.00 0.00 C ATOM 980 NZ LYS A 63 -3.285 -2.575 -14.234 1.00 0.00 N ATOM 0 H LYS A 63 -3.299 2.286 -11.000 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.166 1.026 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.063 1.623 -13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.990 0.630 -14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.734 -0.930 -12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.877 0.044 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.039 -1.861 -12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.615 -0.377 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.259 -2.022 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.075 -0.743 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.172 -3.022 -15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.397 -2.105 -13.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.520 -3.301 -13.528 1.00 0.00 H new ATOM 994 N ASP A 64 -0.703 3.670 -13.083 1.00 0.00 N ATOM 995 CA ASP A 64 -0.176 4.752 -13.895 1.00 0.00 C ATOM 996 C ASP A 64 1.339 4.780 -13.782 1.00 0.00 C ATOM 997 O ASP A 64 2.043 5.123 -14.729 1.00 0.00 O ATOM 998 CB ASP A 64 -0.756 6.098 -13.445 1.00 0.00 C ATOM 999 CG ASP A 64 -0.226 7.260 -14.263 1.00 0.00 C ATOM 1000 OD1 ASP A 64 0.866 7.772 -13.944 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -0.897 7.664 -15.234 1.00 0.00 O ATOM 0 H ASP A 64 -0.317 3.636 -12.140 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.462 4.583 -14.933 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.843 6.067 -13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.518 6.259 -12.394 1.00 0.00 H new ATOM 1006 N ALA A 65 1.834 4.394 -12.613 1.00 0.00 N ATOM 1007 CA ALA A 65 3.261 4.396 -12.347 1.00 0.00 C ATOM 1008 C ALA A 65 3.902 3.101 -12.841 1.00 0.00 C ATOM 1009 O ALA A 65 3.335 2.405 -13.688 1.00 0.00 O ATOM 1010 CB ALA A 65 3.511 4.588 -10.858 1.00 0.00 C ATOM 0 H ALA A 65 1.262 4.074 -11.832 1.00 0.00 H new ATOM 0 HA ALA A 65 3.718 5.225 -12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.584 4.588 -10.666 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.085 5.538 -10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.044 3.775 -10.303 1.00 0.00 H new ATOM 1016 N ALA A 66 5.090 2.797 -12.336 1.00 0.00 N ATOM 1017 CA ALA A 66 5.747 1.531 -12.634 1.00 0.00 C ATOM 1018 C ALA A 66 4.917 0.369 -12.095 1.00 0.00 C ATOM 1019 O ALA A 66 4.347 0.457 -11.013 1.00 0.00 O ATOM 1020 CB ALA A 66 7.144 1.513 -12.031 1.00 0.00 C ATOM 0 H ALA A 66 5.619 3.411 -11.717 1.00 0.00 H new ATOM 0 HA ALA A 66 5.834 1.423 -13.715 1.00 0.00 H new ATOM 0 HB1 ALA A 66 7.627 0.563 -12.259 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.732 2.329 -12.451 1.00 0.00 H new ATOM 0 HB3 ALA A 66 7.075 1.635 -10.950 1.00 0.00 H new ATOM 1026 N THR A 67 4.836 -0.710 -12.856 1.00 0.00 N ATOM 1027 CA THR A 67 4.010 -1.845 -12.474 1.00 0.00 C ATOM 1028 C THR A 67 4.753 -2.808 -11.549 1.00 0.00 C ATOM 1029 O THR A 67 4.133 -3.543 -10.776 1.00 0.00 O ATOM 1030 CB THR A 67 3.510 -2.605 -13.715 1.00 0.00 C ATOM 1031 OG1 THR A 67 4.615 -2.926 -14.569 1.00 0.00 O ATOM 1032 CG2 THR A 67 2.490 -1.780 -14.483 1.00 0.00 C ATOM 0 H THR A 67 5.331 -0.825 -13.741 1.00 0.00 H new ATOM 0 HA THR A 67 3.156 -1.442 -11.930 1.00 0.00 H new ATOM 0 HB THR A 67 3.029 -3.525 -13.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.290 -3.411 -15.356 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.152 -2.339 -15.355 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.638 -1.563 -13.839 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.947 -0.845 -14.806 1.00 0.00 H new ATOM 1040 N LYS A 68 6.080 -2.800 -11.621 1.00 0.00 N ATOM 1041 CA LYS A 68 6.895 -3.711 -10.824 1.00 0.00 C ATOM 1042 C LYS A 68 6.834 -3.359 -9.340 1.00 0.00 C ATOM 1043 O LYS A 68 6.935 -4.236 -8.484 1.00 0.00 O ATOM 1044 CB LYS A 68 8.348 -3.699 -11.307 1.00 0.00 C ATOM 1045 CG LYS A 68 9.274 -4.582 -10.483 1.00 0.00 C ATOM 1046 CD LYS A 68 10.680 -4.623 -11.054 1.00 0.00 C ATOM 1047 CE LYS A 68 11.609 -5.447 -10.176 1.00 0.00 C ATOM 1048 NZ LYS A 68 11.149 -6.854 -10.038 1.00 0.00 N ATOM 0 H LYS A 68 6.614 -2.173 -12.223 1.00 0.00 H new ATOM 0 HA LYS A 68 6.488 -4.714 -10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.379 -4.026 -12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.721 -2.675 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.310 -4.212 -9.458 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.870 -5.593 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.655 -5.046 -12.058 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.067 -3.608 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.613 -5.435 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.674 -4.989 -9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.904 -7.426 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.304 -6.885 -9.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.916 -7.237 -10.977 1.00 0.00 H new ATOM 1062 N ILE A 69 6.646 -2.082 -9.035 1.00 0.00 N ATOM 1063 CA ILE A 69 6.610 -1.641 -7.646 1.00 0.00 C ATOM 1064 C ILE A 69 5.382 -2.209 -6.931 1.00 0.00 C ATOM 1065 O ILE A 69 5.375 -2.352 -5.708 1.00 0.00 O ATOM 1066 CB ILE A 69 6.645 -0.096 -7.530 1.00 0.00 C ATOM 1067 CG1 ILE A 69 6.705 0.338 -6.064 1.00 0.00 C ATOM 1068 CG2 ILE A 69 5.438 0.522 -8.212 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.058 1.800 -5.879 1.00 0.00 C ATOM 0 H ILE A 69 6.517 -1.339 -9.722 1.00 0.00 H new ATOM 0 HA ILE A 69 7.506 -2.025 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 69 7.545 0.258 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.740 0.144 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.441 -0.274 -5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.483 1.607 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.437 0.249 -9.267 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.526 0.155 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.082 2.037 -4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.037 1.996 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.309 2.420 -6.372 1.00 0.00 H new ATOM 1081 N LEU A 70 4.358 -2.571 -7.703 1.00 0.00 N ATOM 1082 CA LEU A 70 3.164 -3.187 -7.138 1.00 0.00 C ATOM 1083 C LEU A 70 3.525 -4.496 -6.452 1.00 0.00 C ATOM 1084 O LEU A 70 3.218 -4.697 -5.276 1.00 0.00 O ATOM 1085 CB LEU A 70 2.094 -3.446 -8.208 1.00 0.00 C ATOM 1086 CG LEU A 70 1.265 -2.230 -8.628 1.00 0.00 C ATOM 1087 CD1 LEU A 70 2.134 -1.193 -9.312 1.00 0.00 C ATOM 1088 CD2 LEU A 70 0.125 -2.653 -9.542 1.00 0.00 C ATOM 0 H LEU A 70 4.333 -2.448 -8.715 1.00 0.00 H new ATOM 0 HA LEU A 70 2.751 -2.490 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.583 -3.852 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.415 -4.215 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 70 0.843 -1.781 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.522 -0.339 -9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.916 -0.864 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.590 -1.629 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.454 -1.776 -9.831 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.532 -3.130 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.520 -3.357 -9.017 1.00 0.00 H new ATOM 1100 N SER A 71 4.203 -5.375 -7.182 1.00 0.00 N ATOM 1101 CA SER A 71 4.614 -6.652 -6.630 1.00 0.00 C ATOM 1102 C SER A 71 5.638 -6.450 -5.520 1.00 0.00 C ATOM 1103 O SER A 71 5.641 -7.181 -4.526 1.00 0.00 O ATOM 1104 CB SER A 71 5.166 -7.564 -7.727 1.00 0.00 C ATOM 1105 OG SER A 71 5.999 -6.848 -8.623 1.00 0.00 O ATOM 0 H SER A 71 4.477 -5.224 -8.153 1.00 0.00 H new ATOM 0 HA SER A 71 3.739 -7.138 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.731 -8.379 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.340 -8.015 -8.277 1.00 0.00 H new ATOM 0 HG SER A 71 6.272 -6.002 -8.211 1.00 0.00 H new ATOM 1111 N GLU A 72 6.474 -5.426 -5.678 1.00 0.00 N ATOM 1112 CA GLU A 72 7.476 -5.078 -4.676 1.00 0.00 C ATOM 1113 C GLU A 72 6.838 -4.770 -3.326 1.00 0.00 C ATOM 1114 O GLU A 72 7.450 -4.992 -2.285 1.00 0.00 O ATOM 1115 CB GLU A 72 8.305 -3.883 -5.143 1.00 0.00 C ATOM 1116 CG GLU A 72 9.267 -4.225 -6.262 1.00 0.00 C ATOM 1117 CD GLU A 72 10.251 -5.299 -5.855 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.295 -4.958 -5.264 1.00 0.00 O ATOM 1119 OE2 GLU A 72 9.982 -6.489 -6.111 1.00 0.00 O ATOM 0 H GLU A 72 6.476 -4.819 -6.498 1.00 0.00 H new ATOM 0 HA GLU A 72 8.128 -5.943 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.634 -3.092 -5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.867 -3.486 -4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.705 -4.560 -7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.811 -3.328 -6.559 1.00 0.00 H new ATOM 1126 N VAL A 73 5.623 -4.238 -3.348 1.00 0.00 N ATOM 1127 CA VAL A 73 4.880 -3.991 -2.122 1.00 0.00 C ATOM 1128 C VAL A 73 4.104 -5.241 -1.700 1.00 0.00 C ATOM 1129 O VAL A 73 4.154 -5.658 -0.541 1.00 0.00 O ATOM 1130 CB VAL A 73 3.905 -2.801 -2.281 1.00 0.00 C ATOM 1131 CG1 VAL A 73 3.134 -2.552 -0.994 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.658 -1.547 -2.699 1.00 0.00 C ATOM 0 H VAL A 73 5.132 -3.970 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 73 5.605 -3.740 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 73 3.188 -3.054 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.456 -1.710 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.560 -3.442 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.833 -2.325 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.956 -0.720 -2.806 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.399 -1.298 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.159 -1.724 -3.651 1.00 0.00 H new ATOM 1142 N THR A 74 3.412 -5.852 -2.654 1.00 0.00 N ATOM 1143 CA THR A 74 2.550 -6.996 -2.371 1.00 0.00 C ATOM 1144 C THR A 74 3.314 -8.171 -1.759 1.00 0.00 C ATOM 1145 O THR A 74 2.782 -8.868 -0.895 1.00 0.00 O ATOM 1146 CB THR A 74 1.824 -7.473 -3.642 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.773 -7.761 -4.674 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.855 -6.418 -4.136 1.00 0.00 C ATOM 0 H THR A 74 3.431 -5.574 -3.635 1.00 0.00 H new ATOM 0 HA THR A 74 1.820 -6.648 -1.640 1.00 0.00 H new ATOM 0 HB THR A 74 1.268 -8.377 -3.393 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.675 -7.547 -4.358 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.354 -6.777 -5.035 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.113 -6.215 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.400 -5.502 -4.366 1.00 0.00 H new ATOM 1156 N ARG A 75 4.558 -8.387 -2.194 1.00 0.00 N ATOM 1157 CA ARG A 75 5.340 -9.515 -1.690 1.00 0.00 C ATOM 1158 C ARG A 75 5.509 -9.437 -0.169 1.00 0.00 C ATOM 1159 O ARG A 75 5.155 -10.383 0.532 1.00 0.00 O ATOM 1160 CB ARG A 75 6.712 -9.617 -2.373 1.00 0.00 C ATOM 1161 CG ARG A 75 6.824 -10.772 -3.355 1.00 0.00 C ATOM 1162 CD ARG A 75 6.459 -10.360 -4.771 1.00 0.00 C ATOM 1163 NE ARG A 75 7.466 -9.477 -5.357 1.00 0.00 N ATOM 1164 CZ ARG A 75 7.786 -9.470 -6.649 1.00 0.00 C ATOM 1165 NH1 ARG A 75 7.197 -10.314 -7.485 1.00 0.00 N ATOM 1166 NH2 ARG A 75 8.691 -8.620 -7.107 1.00 0.00 N ATOM 0 H ARG A 75 5.037 -7.806 -2.882 1.00 0.00 H new ATOM 0 HA ARG A 75 4.780 -10.418 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.916 -8.684 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.481 -9.727 -1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.843 -11.160 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.170 -11.583 -3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.350 -11.249 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.493 -9.856 -4.765 1.00 0.00 H new ATOM 0 HE ARG A 75 7.952 -8.828 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 75 6.497 -10.970 -7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.444 -10.307 -8.475 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.146 -7.967 -6.469 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.933 -8.618 -8.098 1.00 0.00 H new ATOM 1180 N PRO A 76 6.050 -8.326 0.382 1.00 0.00 N ATOM 1181 CA PRO A 76 6.136 -8.163 1.833 1.00 0.00 C ATOM 1182 C PRO A 76 4.761 -8.058 2.490 1.00 0.00 C ATOM 1183 O PRO A 76 4.536 -8.638 3.547 1.00 0.00 O ATOM 1184 CB PRO A 76 6.931 -6.867 2.028 1.00 0.00 C ATOM 1185 CG PRO A 76 6.844 -6.148 0.729 1.00 0.00 C ATOM 1186 CD PRO A 76 6.686 -7.203 -0.331 1.00 0.00 C ATOM 0 HA PRO A 76 6.610 -9.026 2.300 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.513 -6.268 2.837 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.967 -7.078 2.291 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.998 -5.460 0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.740 -5.553 0.554 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.067 -6.851 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.648 -7.492 -0.755 1.00 0.00 H new ATOM 1194 N MET A 77 3.836 -7.347 1.848 1.00 0.00 N ATOM 1195 CA MET A 77 2.492 -7.156 2.402 1.00 0.00 C ATOM 1196 C MET A 77 1.765 -8.482 2.602 1.00 0.00 C ATOM 1197 O MET A 77 0.810 -8.556 3.364 1.00 0.00 O ATOM 1198 CB MET A 77 1.653 -6.245 1.505 1.00 0.00 C ATOM 1199 CG MET A 77 2.005 -4.772 1.627 1.00 0.00 C ATOM 1200 SD MET A 77 1.734 -4.128 3.289 1.00 0.00 S ATOM 1201 CE MET A 77 2.124 -2.397 3.046 1.00 0.00 C ATOM 0 H MET A 77 3.989 -6.894 0.947 1.00 0.00 H new ATOM 0 HA MET A 77 2.619 -6.684 3.376 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.780 -6.555 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.600 -6.379 1.751 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.050 -4.628 1.352 1.00 0.00 H new ATOM 0 HG3 MET A 77 1.407 -4.200 0.918 1.00 0.00 H new ATOM 0 HE1 MET A 77 1.803 -1.826 3.917 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.200 -2.282 2.912 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.607 -2.028 2.160 1.00 0.00 H new ATOM 1211 N SER A 78 2.225 -9.523 1.916 1.00 0.00 N ATOM 1212 CA SER A 78 1.638 -10.854 2.029 1.00 0.00 C ATOM 1213 C SER A 78 1.762 -11.413 3.452 1.00 0.00 C ATOM 1214 O SER A 78 1.092 -12.385 3.801 1.00 0.00 O ATOM 1215 CB SER A 78 2.318 -11.801 1.036 1.00 0.00 C ATOM 1216 OG SER A 78 1.690 -13.072 1.014 1.00 0.00 O ATOM 0 H SER A 78 3.012 -9.469 1.269 1.00 0.00 H new ATOM 0 HA SER A 78 0.576 -10.773 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.291 -11.364 0.038 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.368 -11.918 1.304 1.00 0.00 H new ATOM 0 HG SER A 78 1.180 -13.199 1.841 1.00 0.00 H new ATOM 1222 N VAL A 79 2.611 -10.803 4.268 1.00 0.00 N ATOM 1223 CA VAL A 79 2.859 -11.302 5.611 1.00 0.00 C ATOM 1224 C VAL A 79 3.254 -10.147 6.540 1.00 0.00 C ATOM 1225 O VAL A 79 3.377 -9.009 6.093 1.00 0.00 O ATOM 1226 CB VAL A 79 3.966 -12.386 5.575 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.341 -11.765 5.369 1.00 0.00 C ATOM 1228 CG2 VAL A 79 3.933 -13.253 6.822 1.00 0.00 C ATOM 0 H VAL A 79 3.138 -9.964 4.023 1.00 0.00 H new ATOM 0 HA VAL A 79 1.946 -11.754 6.000 1.00 0.00 H new ATOM 0 HB VAL A 79 3.765 -13.033 4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.096 -12.551 5.348 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.357 -11.222 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.556 -11.077 6.187 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.722 -14.003 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.088 -12.630 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.965 -13.749 6.895 1.00 0.00 H new ATOM 1238 N HIS A 80 3.430 -10.431 7.829 1.00 0.00 N ATOM 1239 CA HIS A 80 3.886 -9.416 8.777 1.00 0.00 C ATOM 1240 C HIS A 80 5.296 -8.978 8.404 1.00 0.00 C ATOM 1241 O HIS A 80 6.207 -9.805 8.329 1.00 0.00 O ATOM 1242 CB HIS A 80 3.867 -9.950 10.214 1.00 0.00 C ATOM 1243 CG HIS A 80 2.494 -10.211 10.760 1.00 0.00 C ATOM 1244 ND1 HIS A 80 2.089 -9.794 12.007 1.00 0.00 N ATOM 1245 CD2 HIS A 80 1.436 -10.867 10.227 1.00 0.00 C ATOM 1246 CE1 HIS A 80 0.846 -10.182 12.218 1.00 0.00 C ATOM 1247 NE2 HIS A 80 0.424 -10.835 11.153 1.00 0.00 N ATOM 0 H HIS A 80 3.265 -11.350 8.239 1.00 0.00 H new ATOM 0 HA HIS A 80 3.207 -8.564 8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.442 -10.875 10.253 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.372 -9.234 10.862 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.396 -11.330 9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.271 -9.996 13.113 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -0.501 -11.248 11.037 1.00 0.00 H new ATOM 1256 N MET A 81 5.472 -7.688 8.164 1.00 0.00 N ATOM 1257 CA MET A 81 6.715 -7.190 7.600 1.00 0.00 C ATOM 1258 C MET A 81 7.160 -5.861 8.216 1.00 0.00 C ATOM 1259 O MET A 81 6.408 -5.207 8.936 1.00 0.00 O ATOM 1260 CB MET A 81 6.564 -7.042 6.098 1.00 0.00 C ATOM 1261 CG MET A 81 6.849 -8.334 5.366 1.00 0.00 C ATOM 1262 SD MET A 81 8.494 -9.017 5.670 1.00 0.00 S ATOM 1263 CE MET A 81 9.473 -8.155 4.431 1.00 0.00 C ATOM 0 H MET A 81 4.772 -6.970 8.350 1.00 0.00 H new ATOM 0 HA MET A 81 7.492 -7.918 7.833 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.551 -6.711 5.867 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.242 -6.267 5.741 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.103 -9.074 5.656 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.731 -8.165 4.296 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.502 -8.065 4.779 1.00 0.00 H new ATOM 0 HE2 MET A 81 9.453 -8.716 3.497 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.057 -7.161 4.266 1.00 0.00 H new ATOM 1273 N PRO A 82 8.421 -5.486 7.918 1.00 0.00 N ATOM 1274 CA PRO A 82 9.087 -4.224 8.302 1.00 0.00 C ATOM 1275 C PRO A 82 8.302 -2.924 8.096 1.00 0.00 C ATOM 1276 O PRO A 82 8.839 -1.883 8.390 1.00 0.00 O ATOM 1277 CB PRO A 82 10.346 -4.209 7.442 1.00 0.00 C ATOM 1278 CG PRO A 82 10.681 -5.641 7.301 1.00 0.00 C ATOM 1279 CD PRO A 82 9.359 -6.327 7.145 1.00 0.00 C ATOM 0 HA PRO A 82 9.241 -4.229 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.166 -3.741 6.474 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.152 -3.653 7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.322 -5.815 6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.218 -6.010 8.175 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.065 -6.392 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 82 9.391 -7.346 7.531 1.00 0.00 H new ATOM 1287 N ALA A 83 7.063 -2.995 7.592 1.00 0.00 N ATOM 1288 CA ALA A 83 6.374 -1.895 6.875 1.00 0.00 C ATOM 1289 C ALA A 83 6.653 -0.471 7.380 1.00 0.00 C ATOM 1290 O ALA A 83 6.814 0.441 6.557 1.00 0.00 O ATOM 1291 CB ALA A 83 4.875 -2.151 6.890 1.00 0.00 C ATOM 0 H ALA A 83 6.491 -3.836 7.669 1.00 0.00 H new ATOM 0 HA ALA A 83 6.790 -1.915 5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.363 -1.345 6.364 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.663 -3.099 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.523 -2.192 7.921 1.00 0.00 H new ATOM 1297 N MET A 84 6.730 -0.263 8.689 1.00 0.00 N ATOM 1298 CA MET A 84 7.109 1.049 9.226 1.00 0.00 C ATOM 1299 C MET A 84 8.468 1.496 8.667 1.00 0.00 C ATOM 1300 O MET A 84 8.689 2.672 8.386 1.00 0.00 O ATOM 1301 CB MET A 84 7.143 1.034 10.760 1.00 0.00 C ATOM 1302 CG MET A 84 7.816 -0.193 11.348 1.00 0.00 C ATOM 1303 SD MET A 84 6.749 -1.647 11.298 1.00 0.00 S ATOM 1304 CE MET A 84 7.970 -2.946 11.364 1.00 0.00 C ATOM 0 H MET A 84 6.539 -0.973 9.395 1.00 0.00 H new ATOM 0 HA MET A 84 6.351 1.766 8.911 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.663 1.925 11.111 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.122 1.092 11.137 1.00 0.00 H new ATOM 0 HG2 MET A 84 8.734 -0.400 10.799 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.101 0.011 12.380 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.598 -3.822 10.833 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.892 -2.602 10.896 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.167 -3.208 12.404 1.00 0.00 H new ATOM 1314 N LYS A 85 9.355 0.537 8.488 1.00 0.00 N ATOM 1315 CA LYS A 85 10.663 0.763 7.894 1.00 0.00 C ATOM 1316 C LYS A 85 10.573 0.704 6.380 1.00 0.00 C ATOM 1317 O LYS A 85 11.442 1.210 5.677 1.00 0.00 O ATOM 1318 CB LYS A 85 11.637 -0.314 8.365 1.00 0.00 C ATOM 1319 CG LYS A 85 11.750 -0.402 9.871 1.00 0.00 C ATOM 1320 CD LYS A 85 12.460 -1.674 10.320 1.00 0.00 C ATOM 1321 CE LYS A 85 13.754 -1.916 9.553 1.00 0.00 C ATOM 1322 NZ LYS A 85 14.693 -0.764 9.640 1.00 0.00 N ATOM 0 H LYS A 85 9.188 -0.434 8.753 1.00 0.00 H new ATOM 0 HA LYS A 85 11.014 1.748 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.316 -1.280 7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.622 -0.112 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.292 0.466 10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.753 -0.369 10.311 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.679 -1.608 11.386 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.794 -2.526 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.242 -2.809 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.521 -2.112 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.669 -1.116 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.602 -0.177 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.465 -0.193 10.479 1.00 0.00 H new ATOM 1336 N ILE A 86 9.521 0.073 5.877 1.00 0.00 N ATOM 1337 CA ILE A 86 9.382 -0.118 4.446 1.00 0.00 C ATOM 1338 C ILE A 86 9.236 1.222 3.741 1.00 0.00 C ATOM 1339 O ILE A 86 9.840 1.443 2.695 1.00 0.00 O ATOM 1340 CB ILE A 86 8.201 -1.048 4.076 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.521 -2.488 4.483 1.00 0.00 C ATOM 1342 CG2 ILE A 86 7.889 -0.970 2.584 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.461 -3.494 4.079 1.00 0.00 C ATOM 0 H ILE A 86 8.759 -0.311 6.436 1.00 0.00 H new ATOM 0 HA ILE A 86 10.293 -0.610 4.107 1.00 0.00 H new ATOM 0 HB ILE A 86 7.317 -0.715 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.472 -2.778 4.036 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.652 -2.528 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.056 -1.633 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.623 0.054 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.766 -1.275 2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.762 -4.490 4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.513 -3.231 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.345 -3.485 2.995 1.00 0.00 H new ATOM 1355 N CYS A 87 8.460 2.130 4.327 1.00 0.00 N ATOM 1356 CA CYS A 87 8.316 3.465 3.743 1.00 0.00 C ATOM 1357 C CYS A 87 9.632 4.226 3.807 1.00 0.00 C ATOM 1358 O CYS A 87 9.874 5.145 3.027 1.00 0.00 O ATOM 1359 CB CYS A 87 7.208 4.268 4.429 1.00 0.00 C ATOM 1360 SG CYS A 87 6.943 5.928 3.715 1.00 0.00 S ATOM 0 H CYS A 87 7.932 1.974 5.186 1.00 0.00 H new ATOM 0 HA CYS A 87 8.035 3.332 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.276 3.706 4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 87 7.451 4.373 5.486 1.00 0.00 H new ATOM 1365 N GLU A 88 10.494 3.817 4.718 1.00 0.00 N ATOM 1366 CA GLU A 88 11.816 4.395 4.822 1.00 0.00 C ATOM 1367 C GLU A 88 12.697 3.861 3.699 1.00 0.00 C ATOM 1368 O GLU A 88 13.500 4.592 3.120 1.00 0.00 O ATOM 1369 CB GLU A 88 12.411 4.053 6.176 1.00 0.00 C ATOM 1370 CG GLU A 88 11.672 4.682 7.345 1.00 0.00 C ATOM 1371 CD GLU A 88 12.348 4.407 8.670 1.00 0.00 C ATOM 1372 OE1 GLU A 88 12.133 3.320 9.243 1.00 0.00 O ATOM 1373 OE2 GLU A 88 13.112 5.273 9.140 1.00 0.00 O ATOM 0 H GLU A 88 10.299 3.083 5.399 1.00 0.00 H new ATOM 0 HA GLU A 88 11.754 5.479 4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.412 2.970 6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.451 4.378 6.198 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.604 5.759 7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.652 4.300 7.374 1.00 0.00 H new ATOM 1380 N LYS A 89 12.519 2.581 3.386 1.00 0.00 N ATOM 1381 CA LYS A 89 13.204 1.959 2.259 1.00 0.00 C ATOM 1382 C LYS A 89 12.709 2.562 0.950 1.00 0.00 C ATOM 1383 O LYS A 89 13.447 2.663 -0.030 1.00 0.00 O ATOM 1384 CB LYS A 89 12.974 0.449 2.251 1.00 0.00 C ATOM 1385 CG LYS A 89 13.542 -0.260 3.457 1.00 0.00 C ATOM 1386 CD LYS A 89 13.326 -1.755 3.357 1.00 0.00 C ATOM 1387 CE LYS A 89 13.231 -2.370 4.731 1.00 0.00 C ATOM 1388 NZ LYS A 89 13.059 -3.844 4.676 1.00 0.00 N ATOM 0 H LYS A 89 11.903 1.952 3.901 1.00 0.00 H new ATOM 0 HA LYS A 89 14.273 2.147 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.903 0.254 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.420 0.028 1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.608 -0.047 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.070 0.120 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.413 -1.960 2.797 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.148 -2.211 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.132 -2.132 5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.392 -1.928 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.998 -4.223 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.186 -4.073 4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.872 -4.270 4.187 1.00 0.00 H new ATOM 1402 N LEU A 90 11.447 2.976 0.953 1.00 0.00 N ATOM 1403 CA LEU A 90 10.831 3.588 -0.215 1.00 0.00 C ATOM 1404 C LEU A 90 11.407 4.973 -0.481 1.00 0.00 C ATOM 1405 O LEU A 90 11.236 5.522 -1.569 1.00 0.00 O ATOM 1406 CB LEU A 90 9.314 3.675 -0.035 1.00 0.00 C ATOM 1407 CG LEU A 90 8.591 2.327 0.007 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.106 2.521 0.269 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.811 1.570 -1.294 1.00 0.00 C ATOM 0 H LEU A 90 10.827 2.897 1.759 1.00 0.00 H new ATOM 0 HA LEU A 90 11.051 2.958 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.103 4.213 0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.900 4.268 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 90 9.005 1.738 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.611 1.550 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.968 3.024 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.673 3.128 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.291 0.613 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.422 2.157 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.877 1.397 -1.439 1.00 0.00 H new ATOM 1421 N LYS A 91 12.108 5.530 0.505 1.00 0.00 N ATOM 1422 CA LYS A 91 12.734 6.836 0.341 1.00 0.00 C ATOM 1423 C LYS A 91 13.870 6.764 -0.673 1.00 0.00 C ATOM 1424 O LYS A 91 14.312 7.786 -1.194 1.00 0.00 O ATOM 1425 CB LYS A 91 13.250 7.377 1.679 1.00 0.00 C ATOM 1426 CG LYS A 91 12.146 7.725 2.669 1.00 0.00 C ATOM 1427 CD LYS A 91 12.713 8.231 3.990 1.00 0.00 C ATOM 1428 CE LYS A 91 13.465 9.546 3.822 1.00 0.00 C ATOM 1429 NZ LYS A 91 12.555 10.674 3.486 1.00 0.00 N ATOM 0 H LYS A 91 12.255 5.100 1.418 1.00 0.00 H new ATOM 0 HA LYS A 91 11.975 7.523 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.909 6.635 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.852 8.267 1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.496 8.486 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.529 6.845 2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.901 8.366 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.384 7.480 4.408 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.002 9.776 4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.212 9.438 3.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.093 11.564 3.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.138 10.516 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.797 10.732 4.196 1.00 0.00 H new ATOM 1443 N LYS A 92 14.341 5.550 -0.952 1.00 0.00 N ATOM 1444 CA LYS A 92 15.348 5.341 -1.984 1.00 0.00 C ATOM 1445 C LYS A 92 14.740 5.593 -3.362 1.00 0.00 C ATOM 1446 O LYS A 92 15.430 5.990 -4.301 1.00 0.00 O ATOM 1447 CB LYS A 92 15.913 3.915 -1.900 1.00 0.00 C ATOM 1448 CG LYS A 92 16.971 3.582 -2.952 1.00 0.00 C ATOM 1449 CD LYS A 92 18.344 4.174 -2.630 1.00 0.00 C ATOM 1450 CE LYS A 92 18.364 5.692 -2.731 1.00 0.00 C ATOM 1451 NZ LYS A 92 19.735 6.247 -2.586 1.00 0.00 N ATOM 0 H LYS A 92 14.040 4.699 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 92 16.166 6.044 -1.826 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.346 3.768 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.090 3.207 -1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.060 2.499 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 92 16.640 3.954 -3.922 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.637 3.877 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 92 19.084 3.758 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 92 17.951 5.996 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.720 6.114 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 19.700 7.284 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 20.121 5.980 -1.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 20.345 5.866 -3.337 1.00 0.00 H new ATOM 1465 N LEU A 93 13.436 5.369 -3.467 1.00 0.00 N ATOM 1466 CA LEU A 93 12.719 5.605 -4.708 1.00 0.00 C ATOM 1467 C LEU A 93 12.231 7.048 -4.753 1.00 0.00 C ATOM 1468 O LEU A 93 12.435 7.757 -5.741 1.00 0.00 O ATOM 1469 CB LEU A 93 11.531 4.641 -4.856 1.00 0.00 C ATOM 1470 CG LEU A 93 11.889 3.156 -5.009 1.00 0.00 C ATOM 1471 CD1 LEU A 93 12.326 2.550 -3.682 1.00 0.00 C ATOM 1472 CD2 LEU A 93 10.710 2.386 -5.582 1.00 0.00 C ATOM 0 H LEU A 93 12.854 5.023 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 93 13.402 5.426 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.887 4.752 -3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.947 4.946 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 93 12.729 3.083 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.572 1.498 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.203 3.080 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 93 11.516 2.637 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.978 1.334 -5.685 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.855 2.479 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.451 2.792 -6.560 1.00 0.00 H new ATOM 1484 N ASP A 94 11.604 7.476 -3.668 1.00 0.00 N ATOM 1485 CA ASP A 94 11.132 8.846 -3.531 1.00 0.00 C ATOM 1486 C ASP A 94 11.246 9.258 -2.069 1.00 0.00 C ATOM 1487 O ASP A 94 10.742 8.571 -1.188 1.00 0.00 O ATOM 1488 CB ASP A 94 9.677 8.962 -4.002 1.00 0.00 C ATOM 1489 CG ASP A 94 9.253 10.397 -4.257 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.165 11.181 -3.292 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.009 10.747 -5.435 1.00 0.00 O ATOM 0 H ASP A 94 11.408 6.886 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 94 11.741 9.505 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.549 8.382 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.021 8.522 -3.251 1.00 0.00 H new ATOM 1496 N SER A 95 11.915 10.367 -1.807 1.00 0.00 N ATOM 1497 CA SER A 95 12.186 10.784 -0.439 1.00 0.00 C ATOM 1498 C SER A 95 10.960 11.424 0.204 1.00 0.00 C ATOM 1499 O SER A 95 10.796 11.382 1.425 1.00 0.00 O ATOM 1500 CB SER A 95 13.366 11.756 -0.411 1.00 0.00 C ATOM 1501 OG SER A 95 14.542 11.140 -0.907 1.00 0.00 O ATOM 0 H SER A 95 12.281 10.996 -2.522 1.00 0.00 H new ATOM 0 HA SER A 95 12.438 9.895 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.131 12.636 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.534 12.101 0.609 1.00 0.00 H new ATOM 0 HG SER A 95 15.283 11.781 -0.881 1.00 0.00 H new ATOM 1507 N GLN A 96 10.091 11.989 -0.623 1.00 0.00 N ATOM 1508 CA GLN A 96 8.924 12.715 -0.139 1.00 0.00 C ATOM 1509 C GLN A 96 7.752 11.778 0.130 1.00 0.00 C ATOM 1510 O GLN A 96 6.770 12.184 0.746 1.00 0.00 O ATOM 1511 CB GLN A 96 8.507 13.792 -1.142 1.00 0.00 C ATOM 1512 CG GLN A 96 9.593 14.816 -1.421 1.00 0.00 C ATOM 1513 CD GLN A 96 9.119 15.929 -2.334 1.00 0.00 C ATOM 1514 OE1 GLN A 96 9.211 15.827 -3.556 1.00 0.00 O ATOM 1515 NE2 GLN A 96 8.621 17.005 -1.746 1.00 0.00 N ATOM 0 H GLN A 96 10.173 11.958 -1.639 1.00 0.00 H new ATOM 0 HA GLN A 96 9.203 13.189 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.221 13.313 -2.079 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.623 14.306 -0.764 1.00 0.00 H new ATOM 0 HG2 GLN A 96 9.935 15.244 -0.479 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.450 14.318 -1.875 1.00 0.00 H new ATOM 0 HE21 GLN A 96 8.562 17.049 -0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.296 17.790 -2.310 1.00 0.00 H new ATOM 1524 N ILE A 97 7.861 10.536 -0.344 1.00 0.00 N ATOM 1525 CA ILE A 97 6.777 9.549 -0.253 1.00 0.00 C ATOM 1526 C ILE A 97 6.170 9.459 1.155 1.00 0.00 C ATOM 1527 O ILE A 97 4.969 9.237 1.309 1.00 0.00 O ATOM 1528 CB ILE A 97 7.260 8.141 -0.688 1.00 0.00 C ATOM 1529 CG1 ILE A 97 6.085 7.163 -0.756 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.326 7.613 0.268 1.00 0.00 C ATOM 1531 CD1 ILE A 97 6.460 5.802 -1.303 1.00 0.00 C ATOM 0 H ILE A 97 8.701 10.183 -0.802 1.00 0.00 H new ATOM 0 HA ILE A 97 6.001 9.898 -0.934 1.00 0.00 H new ATOM 0 HB ILE A 97 7.699 8.230 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.666 7.041 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.301 7.593 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.649 6.624 -0.058 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.180 8.291 0.271 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.912 7.546 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.578 5.162 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.851 5.912 -2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 97 7.222 5.351 -0.667 1.00 0.00 H new ATOM 1543 N CYS A 98 6.992 9.645 2.176 1.00 0.00 N ATOM 1544 CA CYS A 98 6.525 9.514 3.545 1.00 0.00 C ATOM 1545 C CYS A 98 5.843 10.793 4.017 1.00 0.00 C ATOM 1546 O CYS A 98 4.944 10.753 4.865 1.00 0.00 O ATOM 1547 CB CYS A 98 7.694 9.174 4.476 1.00 0.00 C ATOM 1548 SG CYS A 98 8.974 10.469 4.571 1.00 0.00 S ATOM 0 H CYS A 98 7.979 9.885 2.083 1.00 0.00 H new ATOM 0 HA CYS A 98 5.796 8.704 3.574 1.00 0.00 H new ATOM 0 HB2 CYS A 98 7.305 8.989 5.477 1.00 0.00 H new ATOM 0 HB3 CYS A 98 8.156 8.246 4.137 1.00 0.00 H new ATOM 1553 N GLU A 99 6.263 11.915 3.451 1.00 0.00 N ATOM 1554 CA GLU A 99 5.839 13.226 3.914 1.00 0.00 C ATOM 1555 C GLU A 99 4.448 13.574 3.401 1.00 0.00 C ATOM 1556 O GLU A 99 3.454 13.107 3.959 1.00 0.00 O ATOM 1557 CB GLU A 99 6.851 14.285 3.472 1.00 0.00 C ATOM 1558 CG GLU A 99 8.243 14.072 4.040 1.00 0.00 C ATOM 1559 CD GLU A 99 9.247 15.071 3.511 1.00 0.00 C ATOM 1560 OE1 GLU A 99 8.966 16.286 3.564 1.00 0.00 O ATOM 1561 OE2 GLU A 99 10.321 14.651 3.036 1.00 0.00 O ATOM 0 H GLU A 99 6.906 11.941 2.660 1.00 0.00 H new ATOM 0 HA GLU A 99 5.793 13.204 5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.909 14.288 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.491 15.268 3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.203 14.144 5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.579 13.063 3.800 1.00 0.00 H new ATOM 1568 N LEU A 100 4.392 14.377 2.331 1.00 0.00 N ATOM 1569 CA LEU A 100 3.135 14.906 1.782 1.00 0.00 C ATOM 1570 C LEU A 100 2.439 15.840 2.775 1.00 0.00 C ATOM 1571 O LEU A 100 2.264 17.027 2.492 1.00 0.00 O ATOM 1572 CB LEU A 100 2.176 13.786 1.355 1.00 0.00 C ATOM 1573 CG LEU A 100 2.451 13.165 -0.018 1.00 0.00 C ATOM 1574 CD1 LEU A 100 3.670 12.259 0.023 1.00 0.00 C ATOM 1575 CD2 LEU A 100 1.230 12.402 -0.507 1.00 0.00 C ATOM 0 H LEU A 100 5.220 14.680 1.819 1.00 0.00 H new ATOM 0 HA LEU A 100 3.403 15.478 0.894 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.212 12.996 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 100 1.160 14.181 1.358 1.00 0.00 H new ATOM 0 HG LEU A 100 2.661 13.972 -0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.840 11.833 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.543 12.838 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.502 11.456 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.440 11.966 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.990 11.608 0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.383 13.084 -0.589 1.00 0.00 H new ATOM 1587 N LYS A 101 2.062 15.295 3.931 1.00 0.00 N ATOM 1588 CA LYS A 101 1.339 16.029 4.969 1.00 0.00 C ATOM 1589 C LYS A 101 -0.082 16.350 4.526 1.00 0.00 C ATOM 1590 O LYS A 101 -0.312 16.873 3.433 1.00 0.00 O ATOM 1591 CB LYS A 101 2.092 17.302 5.367 1.00 0.00 C ATOM 1592 CG LYS A 101 3.370 17.020 6.136 1.00 0.00 C ATOM 1593 CD LYS A 101 3.061 16.379 7.476 1.00 0.00 C ATOM 1594 CE LYS A 101 4.313 15.870 8.166 1.00 0.00 C ATOM 1595 NZ LYS A 101 4.016 15.389 9.541 1.00 0.00 N ATOM 0 H LYS A 101 2.251 14.323 4.176 1.00 0.00 H new ATOM 0 HA LYS A 101 1.276 15.388 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.333 17.871 4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.439 17.928 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.013 16.362 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.920 17.949 6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.563 17.105 8.119 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.366 15.552 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.749 15.060 7.581 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.056 16.667 8.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.646 14.595 9.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.168 16.162 10.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.027 15.073 9.592 1.00 0.00 H new ATOM 1609 N TYR A 102 -1.038 16.009 5.384 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.447 16.245 5.099 1.00 0.00 C ATOM 1611 C TYR A 102 -2.767 17.737 5.115 1.00 0.00 C ATOM 1612 O TYR A 102 -1.863 18.576 5.130 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.335 15.508 6.106 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.364 14.004 5.928 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -2.425 13.190 6.545 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -4.342 13.403 5.147 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -2.458 11.817 6.386 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -4.382 12.032 4.986 1.00 0.00 C ATOM 1619 CZ TYR A 102 -3.439 11.243 5.606 1.00 0.00 C ATOM 1620 OH TYR A 102 -3.481 9.874 5.446 1.00 0.00 O ATOM 0 H TYR A 102 -0.860 15.567 6.286 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.652 15.858 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.988 15.736 7.114 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.352 15.891 6.025 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.656 13.636 7.159 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -5.083 14.017 4.658 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -1.718 11.197 6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -5.150 11.580 4.376 1.00 0.00 H new ATOM 0 HH TYR A 102 -4.235 9.635 4.867 1.00 0.00 H new