USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 998 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 93 TYR OH : rot 10:sc= 1.26 USER MOD Set 1.2: A 121 HIS : no HD1:sc= 0.927 K(o=2.2,f=-2.5!) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -135:sc= 0.741 (180deg=-0.231) USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= 0.82 USER MOD Single : A 8 HIS : no HE2:sc= -0.0101 X(o=-0.01,f=-0.02) USER MOD Single : A 9 LYS NZ :NH3+ -169:sc= 0.795 (180deg=0.435) USER MOD Single : A 13 THR OG1 : rot 180:sc=-0.00054 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0433 USER MOD Single : A 26 MET CE :methyl 145:sc= -0.0516 (180deg=-1.51) USER MOD Single : A 27 TYR OH : rot 75:sc= -0.468 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.766) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 32 MET CE :methyl -172:sc= 0 (180deg=-0.0329) USER MOD Single : A 41 THR OG1 : rot -21:sc= 0.775 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00595 USER MOD Single : A 62 THR OG1 : rot -167:sc= 0.957 USER MOD Single : A 63 LYS NZ :NH3+ -137:sc= 1.19 (180deg=0.556) USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= -0.0345 (180deg=-0.268) USER MOD Single : A 65 MET CE :methyl -162:sc= -0.123 (180deg=-0.585) USER MOD Single : A 68 ASN : amide:sc= 1.1 K(o=1.1,f=-0.049) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -0.923 (180deg=-2.48!) USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 1.26 (180deg=1.14) USER MOD Single : A 78 LYS NZ :NH3+ 155:sc= -1.45 (180deg=-2.56!) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.383 F(o=-0.89,f=-0.38) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot -164:sc= 1.29 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl -174:sc= -0.0545 (180deg=-0.113) USER MOD Single : A 100 ASN : amide:sc= -2.7! C(o=-2.7!,f=-6.8!) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.494 F(o=-1.7,f=-0.49) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -134:sc= 2.26 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 ASN : amide:sc= 0.622 K(o=0.62,f=-8.5!) USER MOD Single : A 119 ASN : amide:sc= 0.0551 K(o=0.055,f=-2.5!) USER MOD Single : A 120 THR OG1 : rot 67:sc= 0.692 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 127 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0.0918) USER MOD Single : A 128 SER OG : rot 78:sc= -1.14! USER MOD Single : A 131 GLN :FLIP amide:sc= -0.167 F(o=-1.5!,f=-0.17) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ -141:sc= -0.337 (180deg=-2.17!) USER MOD Single : A 138 ASN : amide:sc= 0.468 K(o=0.47,f=-0.039) USER MOD Single : A 141 SER OG : rot -51:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -4.990 -16.091 2.540 1.00 0.00 N ATOM 116 CA HIS A 8 -4.524 -16.913 1.429 1.00 0.00 C ATOM 117 C HIS A 8 -4.591 -16.111 0.148 1.00 0.00 C ATOM 118 O HIS A 8 -5.451 -15.236 0.027 1.00 0.00 O ATOM 119 CB HIS A 8 -5.408 -18.177 1.280 1.00 0.00 C ATOM 120 CG HIS A 8 -6.854 -17.906 0.908 1.00 0.00 C ATOM 121 ND1 HIS A 8 -7.429 -18.328 -0.271 1.00 0.00 N ATOM 122 CD2 HIS A 8 -7.832 -17.250 1.576 1.00 0.00 C ATOM 123 CE1 HIS A 8 -8.683 -17.943 -0.304 1.00 0.00 C ATOM 124 NE2 HIS A 8 -8.951 -17.290 0.798 1.00 0.00 N ATOM 0 HA HIS A 8 -3.497 -17.219 1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.968 -18.823 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.387 -18.730 2.219 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.954 -18.857 -1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -7.742 -16.782 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.379 -18.134 -1.108 1.00 0.00 H new ATOM 133 N LYS A 9 -3.716 -16.404 -0.792 1.00 0.00 N ATOM 134 CA LYS A 9 -3.731 -15.739 -2.068 1.00 0.00 C ATOM 135 C LYS A 9 -4.643 -16.417 -3.044 1.00 0.00 C ATOM 136 O LYS A 9 -4.789 -17.639 -3.035 1.00 0.00 O ATOM 137 CB LYS A 9 -2.378 -15.689 -2.721 1.00 0.00 C ATOM 138 CG LYS A 9 -1.401 -14.684 -2.187 1.00 0.00 C ATOM 139 CD LYS A 9 -0.770 -15.120 -0.899 1.00 0.00 C ATOM 140 CE LYS A 9 0.484 -14.321 -0.612 1.00 0.00 C ATOM 141 NZ LYS A 9 1.535 -14.524 -1.648 1.00 0.00 N ATOM 0 H LYS A 9 -2.982 -17.105 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.076 -14.731 -1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.926 -16.677 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.522 -15.491 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.621 -14.511 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.911 -13.733 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.480 -14.995 -0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.526 -16.181 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.232 -13.262 -0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.879 -14.607 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.431 -14.112 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.664 -15.542 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.245 -14.060 -2.532 1.00 0.00 H new ATOM 155 N GLU A 10 -5.232 -15.623 -3.861 1.00 0.00 N ATOM 156 CA GLU A 10 -6.031 -16.043 -4.984 1.00 0.00 C ATOM 157 C GLU A 10 -5.494 -15.286 -6.197 1.00 0.00 C ATOM 158 O GLU A 10 -5.141 -14.104 -6.065 1.00 0.00 O ATOM 159 CB GLU A 10 -7.512 -15.699 -4.770 1.00 0.00 C ATOM 160 CG GLU A 10 -8.200 -16.443 -3.630 1.00 0.00 C ATOM 161 CD GLU A 10 -8.332 -17.932 -3.876 1.00 0.00 C ATOM 162 OE1 GLU A 10 -9.266 -18.353 -4.604 1.00 0.00 O ATOM 163 OE2 GLU A 10 -7.547 -18.716 -3.316 1.00 0.00 O ATOM 0 H GLU A 10 -5.175 -14.609 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.969 -17.123 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.595 -14.628 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.052 -15.905 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.638 -16.283 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.192 -16.018 -3.475 1.00 0.00 H new ATOM 170 N PRO A 11 -5.371 -15.939 -7.358 1.00 0.00 N ATOM 171 CA PRO A 11 -4.845 -15.293 -8.569 1.00 0.00 C ATOM 172 C PRO A 11 -5.757 -14.173 -9.091 1.00 0.00 C ATOM 173 O PRO A 11 -7.001 -14.293 -9.072 1.00 0.00 O ATOM 174 CB PRO A 11 -4.757 -16.439 -9.586 1.00 0.00 C ATOM 175 CG PRO A 11 -5.694 -17.485 -9.084 1.00 0.00 C ATOM 176 CD PRO A 11 -5.702 -17.358 -7.587 1.00 0.00 C ATOM 0 HA PRO A 11 -3.889 -14.805 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.041 -16.102 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.740 -16.824 -9.657 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.694 -17.340 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.367 -18.479 -9.388 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.675 -17.616 -7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.970 -18.020 -7.124 1.00 0.00 H new ATOM 184 N ALA A 12 -5.142 -13.086 -9.523 1.00 0.00 N ATOM 185 CA ALA A 12 -5.852 -11.942 -10.048 1.00 0.00 C ATOM 186 C ALA A 12 -5.084 -11.308 -11.208 1.00 0.00 C ATOM 187 O ALA A 12 -3.963 -11.709 -11.525 1.00 0.00 O ATOM 188 CB ALA A 12 -6.060 -10.923 -8.945 1.00 0.00 C ATOM 0 H ALA A 12 -4.128 -12.976 -9.518 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.820 -12.276 -10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.596 -10.061 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.642 -11.372 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.093 -10.603 -8.559 1.00 0.00 H new ATOM 194 N THR A 13 -5.709 -10.358 -11.861 1.00 0.00 N ATOM 195 CA THR A 13 -5.118 -9.607 -12.959 1.00 0.00 C ATOM 196 C THR A 13 -5.715 -8.201 -12.920 1.00 0.00 C ATOM 197 O THR A 13 -6.907 -8.070 -12.715 1.00 0.00 O ATOM 198 CB THR A 13 -5.451 -10.285 -14.313 1.00 0.00 C ATOM 199 OG1 THR A 13 -4.994 -11.649 -14.281 1.00 0.00 O ATOM 200 CG2 THR A 13 -4.786 -9.572 -15.484 1.00 0.00 C ATOM 0 H THR A 13 -6.664 -10.074 -11.644 1.00 0.00 H new ATOM 0 HA THR A 13 -4.033 -9.572 -12.859 1.00 0.00 H new ATOM 0 HB THR A 13 -6.531 -10.237 -14.455 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.203 -12.084 -15.134 1.00 0.00 H new ATOM 0 HG21 THR A 13 -5.045 -10.079 -16.413 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.132 -8.539 -15.525 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.704 -9.587 -15.352 1.00 0.00 H new ATOM 208 N LEU A 14 -4.914 -7.176 -13.111 1.00 0.00 N ATOM 209 CA LEU A 14 -5.388 -5.803 -12.976 1.00 0.00 C ATOM 210 C LEU A 14 -6.286 -5.394 -14.140 1.00 0.00 C ATOM 211 O LEU A 14 -6.108 -5.857 -15.275 1.00 0.00 O ATOM 212 CB LEU A 14 -4.211 -4.824 -12.900 1.00 0.00 C ATOM 213 CG LEU A 14 -4.590 -3.352 -12.690 1.00 0.00 C ATOM 214 CD1 LEU A 14 -5.076 -3.099 -11.273 1.00 0.00 C ATOM 215 CD2 LEU A 14 -3.453 -2.434 -13.063 1.00 0.00 C ATOM 0 H LEU A 14 -3.929 -7.260 -13.361 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.966 -5.763 -12.053 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.556 -5.133 -12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.634 -4.905 -13.821 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.421 -3.127 -13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.336 -2.046 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.955 -3.713 -11.075 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.287 -3.356 -10.566 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.754 -1.399 -12.903 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.585 -2.660 -12.444 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.197 -2.579 -14.113 1.00 0.00 H new ATOM 227 N ILE A 15 -7.257 -4.563 -13.849 1.00 0.00 N ATOM 228 CA ILE A 15 -8.072 -3.964 -14.865 1.00 0.00 C ATOM 229 C ILE A 15 -7.776 -2.466 -14.873 1.00 0.00 C ATOM 230 O ILE A 15 -7.304 -1.923 -15.882 1.00 0.00 O ATOM 231 CB ILE A 15 -9.598 -4.238 -14.655 1.00 0.00 C ATOM 232 CG1 ILE A 15 -9.888 -5.748 -14.733 1.00 0.00 C ATOM 233 CG2 ILE A 15 -10.442 -3.478 -15.680 1.00 0.00 C ATOM 234 CD1 ILE A 15 -11.350 -6.109 -14.569 1.00 0.00 C ATOM 0 H ILE A 15 -7.501 -4.286 -12.898 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.827 -4.410 -15.829 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.871 -3.879 -13.663 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.538 -6.125 -15.694 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -9.311 -6.258 -13.962 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.498 -3.688 -15.509 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.263 -2.408 -15.577 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.167 -3.796 -16.686 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.468 -7.191 -14.637 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.703 -5.766 -13.596 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.933 -5.631 -15.356 1.00 0.00 H new ATOM 246 N LYS A 16 -8.004 -1.809 -13.736 1.00 0.00 N ATOM 247 CA LYS A 16 -7.742 -0.376 -13.584 1.00 0.00 C ATOM 248 C LYS A 16 -7.362 -0.055 -12.147 1.00 0.00 C ATOM 249 O LYS A 16 -7.826 -0.718 -11.210 1.00 0.00 O ATOM 250 CB LYS A 16 -8.990 0.454 -13.935 1.00 0.00 C ATOM 251 CG LYS A 16 -9.396 0.447 -15.395 1.00 0.00 C ATOM 252 CD LYS A 16 -10.688 1.200 -15.590 1.00 0.00 C ATOM 253 CE LYS A 16 -11.088 1.250 -17.046 1.00 0.00 C ATOM 254 NZ LYS A 16 -12.351 1.979 -17.232 1.00 0.00 N ATOM 0 H LYS A 16 -8.375 -2.253 -12.896 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.926 -0.124 -14.261 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.827 0.085 -13.343 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.815 1.486 -13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.610 0.900 -15.999 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.512 -0.580 -15.741 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.479 0.723 -15.011 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.580 2.215 -15.207 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.300 1.732 -17.625 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.192 0.236 -17.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.597 1.995 -18.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.107 1.505 -16.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.243 2.954 -16.887 1.00 0.00 H new ATOM 268 N ALA A 17 -6.514 0.924 -11.969 1.00 0.00 N ATOM 269 CA ALA A 17 -6.214 1.428 -10.656 1.00 0.00 C ATOM 270 C ALA A 17 -7.205 2.540 -10.360 1.00 0.00 C ATOM 271 O ALA A 17 -7.432 3.410 -11.206 1.00 0.00 O ATOM 272 CB ALA A 17 -4.787 1.942 -10.584 1.00 0.00 C ATOM 0 H ALA A 17 -6.015 1.392 -12.726 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.301 0.633 -9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.586 2.318 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.096 1.131 -10.813 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.653 2.747 -11.306 1.00 0.00 H new ATOM 278 N ILE A 18 -7.814 2.509 -9.204 1.00 0.00 N ATOM 279 CA ILE A 18 -8.840 3.480 -8.879 1.00 0.00 C ATOM 280 C ILE A 18 -8.238 4.614 -8.057 1.00 0.00 C ATOM 281 O ILE A 18 -8.397 5.793 -8.384 1.00 0.00 O ATOM 282 CB ILE A 18 -10.019 2.819 -8.093 1.00 0.00 C ATOM 283 CG1 ILE A 18 -10.619 1.626 -8.877 1.00 0.00 C ATOM 284 CG2 ILE A 18 -11.105 3.840 -7.741 1.00 0.00 C ATOM 285 CD1 ILE A 18 -11.177 1.973 -10.246 1.00 0.00 C ATOM 0 H ILE A 18 -7.623 1.827 -8.470 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.238 3.878 -9.812 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.608 2.436 -7.159 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.848 0.865 -8.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.414 1.181 -8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.908 3.344 -7.195 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -10.677 4.627 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -11.504 4.277 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.574 1.073 -10.716 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -11.975 2.708 -10.138 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.384 2.387 -10.868 1.00 0.00 H new ATOM 297 N ASP A 19 -7.526 4.250 -7.023 1.00 0.00 N ATOM 298 CA ASP A 19 -6.908 5.199 -6.121 1.00 0.00 C ATOM 299 C ASP A 19 -5.675 4.500 -5.546 1.00 0.00 C ATOM 300 O ASP A 19 -5.203 3.534 -6.137 1.00 0.00 O ATOM 301 CB ASP A 19 -7.894 5.561 -4.993 1.00 0.00 C ATOM 302 CG ASP A 19 -7.621 6.924 -4.376 1.00 0.00 C ATOM 303 OD1 ASP A 19 -6.598 7.097 -3.715 1.00 0.00 O ATOM 304 OD2 ASP A 19 -8.454 7.851 -4.559 1.00 0.00 O ATOM 0 H ASP A 19 -7.354 3.275 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.634 6.122 -6.631 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.910 5.544 -5.388 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.842 4.800 -4.215 1.00 0.00 H new ATOM 309 N GLY A 20 -5.163 4.963 -4.423 1.00 0.00 N ATOM 310 CA GLY A 20 -3.992 4.346 -3.821 1.00 0.00 C ATOM 311 C GLY A 20 -4.309 3.010 -3.187 1.00 0.00 C ATOM 312 O GLY A 20 -3.618 2.021 -3.417 1.00 0.00 O ATOM 0 H GLY A 20 -5.536 5.761 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.223 4.211 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.579 5.015 -3.066 1.00 0.00 H new ATOM 316 N ASP A 21 -5.355 2.990 -2.403 1.00 0.00 N ATOM 317 CA ASP A 21 -5.784 1.789 -1.681 1.00 0.00 C ATOM 318 C ASP A 21 -6.969 1.120 -2.360 1.00 0.00 C ATOM 319 O ASP A 21 -7.531 0.156 -1.835 1.00 0.00 O ATOM 320 CB ASP A 21 -6.153 2.123 -0.213 1.00 0.00 C ATOM 321 CG ASP A 21 -7.265 3.158 -0.079 1.00 0.00 C ATOM 322 OD1 ASP A 21 -8.378 2.934 -0.576 1.00 0.00 O ATOM 323 OD2 ASP A 21 -7.045 4.223 0.556 1.00 0.00 O ATOM 0 H ASP A 21 -5.946 3.804 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.942 1.097 -1.690 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.459 1.207 0.293 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.264 2.489 0.301 1.00 0.00 H new ATOM 328 N THR A 22 -7.353 1.628 -3.506 1.00 0.00 N ATOM 329 CA THR A 22 -8.491 1.102 -4.214 1.00 0.00 C ATOM 330 C THR A 22 -8.095 0.747 -5.649 1.00 0.00 C ATOM 331 O THR A 22 -7.590 1.592 -6.390 1.00 0.00 O ATOM 332 CB THR A 22 -9.624 2.150 -4.259 1.00 0.00 C ATOM 333 OG1 THR A 22 -9.806 2.716 -2.960 1.00 0.00 O ATOM 334 CG2 THR A 22 -10.932 1.512 -4.697 1.00 0.00 C ATOM 0 H THR A 22 -6.890 2.410 -3.969 1.00 0.00 H new ATOM 0 HA THR A 22 -8.837 0.210 -3.692 1.00 0.00 H new ATOM 0 HB THR A 22 -9.344 2.923 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.524 3.382 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.716 2.269 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.812 1.082 -5.691 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.208 0.727 -3.993 1.00 0.00 H new ATOM 342 N VAL A 23 -8.301 -0.477 -6.033 1.00 0.00 N ATOM 343 CA VAL A 23 -8.023 -0.915 -7.393 1.00 0.00 C ATOM 344 C VAL A 23 -9.153 -1.795 -7.871 1.00 0.00 C ATOM 345 O VAL A 23 -9.930 -2.307 -7.061 1.00 0.00 O ATOM 346 CB VAL A 23 -6.671 -1.687 -7.543 1.00 0.00 C ATOM 347 CG1 VAL A 23 -5.473 -0.797 -7.239 1.00 0.00 C ATOM 348 CG2 VAL A 23 -6.649 -2.924 -6.664 1.00 0.00 C ATOM 0 H VAL A 23 -8.666 -1.209 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.936 -0.014 -8.000 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.596 -2.000 -8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.554 -1.372 -7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.462 0.047 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.544 -0.428 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.698 -3.442 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.770 -2.631 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.464 -3.589 -6.951 1.00 0.00 H new ATOM 358 N LYS A 24 -9.264 -1.960 -9.153 1.00 0.00 N ATOM 359 CA LYS A 24 -10.280 -2.793 -9.708 1.00 0.00 C ATOM 360 C LYS A 24 -9.601 -3.796 -10.604 1.00 0.00 C ATOM 361 O LYS A 24 -8.931 -3.428 -11.584 1.00 0.00 O ATOM 362 CB LYS A 24 -11.285 -1.954 -10.490 1.00 0.00 C ATOM 363 CG LYS A 24 -12.602 -2.651 -10.768 1.00 0.00 C ATOM 364 CD LYS A 24 -13.510 -1.770 -11.608 1.00 0.00 C ATOM 365 CE LYS A 24 -14.922 -2.331 -11.696 1.00 0.00 C ATOM 366 NZ LYS A 24 -15.621 -2.264 -10.392 1.00 0.00 N ATOM 0 H LYS A 24 -8.653 -1.521 -9.841 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.832 -3.306 -8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.483 -1.037 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.835 -1.662 -11.439 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.419 -3.592 -11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.095 -2.897 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.543 -0.769 -11.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.095 -1.673 -12.611 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.489 -1.774 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -14.882 -3.366 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.106 -3.166 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.929 -2.086 -9.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.319 -1.493 -10.411 1.00 0.00 H new ATOM 380 N LEU A 25 -9.725 -5.030 -10.272 1.00 0.00 N ATOM 381 CA LEU A 25 -9.051 -6.053 -10.996 1.00 0.00 C ATOM 382 C LEU A 25 -9.990 -7.192 -11.360 1.00 0.00 C ATOM 383 O LEU A 25 -11.148 -7.215 -10.936 1.00 0.00 O ATOM 384 CB LEU A 25 -7.782 -6.520 -10.227 1.00 0.00 C ATOM 385 CG LEU A 25 -7.924 -6.961 -8.755 1.00 0.00 C ATOM 386 CD1 LEU A 25 -8.676 -8.272 -8.622 1.00 0.00 C ATOM 387 CD2 LEU A 25 -6.557 -7.055 -8.098 1.00 0.00 C ATOM 0 H LEU A 25 -10.294 -5.362 -9.493 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.708 -5.642 -11.946 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.349 -7.353 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.058 -5.705 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.512 -6.201 -8.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.752 -8.543 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.676 -8.162 -9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.141 -9.054 -9.160 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.673 -7.367 -7.060 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.947 -7.785 -8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.069 -6.081 -8.132 1.00 0.00 H new ATOM 399 N MET A 26 -9.504 -8.100 -12.149 1.00 0.00 N ATOM 400 CA MET A 26 -10.261 -9.238 -12.571 1.00 0.00 C ATOM 401 C MET A 26 -10.039 -10.340 -11.565 1.00 0.00 C ATOM 402 O MET A 26 -8.915 -10.861 -11.435 1.00 0.00 O ATOM 403 CB MET A 26 -9.811 -9.702 -13.967 1.00 0.00 C ATOM 404 CG MET A 26 -10.657 -10.837 -14.539 1.00 0.00 C ATOM 405 SD MET A 26 -10.193 -11.308 -16.229 1.00 0.00 S ATOM 406 CE MET A 26 -8.489 -11.810 -16.017 1.00 0.00 C ATOM 0 H MET A 26 -8.556 -8.071 -12.524 1.00 0.00 H new ATOM 0 HA MET A 26 -11.318 -8.980 -12.630 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.847 -8.854 -14.651 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.772 -10.026 -13.915 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.567 -11.708 -13.890 1.00 0.00 H new ATOM 0 HG3 MET A 26 -11.705 -10.538 -14.529 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.267 -12.638 -16.690 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.831 -10.971 -16.245 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.329 -12.127 -14.987 1.00 0.00 H new ATOM 416 N TYR A 27 -11.063 -10.669 -10.848 1.00 0.00 N ATOM 417 CA TYR A 27 -11.002 -11.675 -9.832 1.00 0.00 C ATOM 418 C TYR A 27 -11.966 -12.793 -10.168 1.00 0.00 C ATOM 419 O TYR A 27 -13.165 -12.594 -10.141 1.00 0.00 O ATOM 420 CB TYR A 27 -11.341 -11.057 -8.473 1.00 0.00 C ATOM 421 CG TYR A 27 -11.364 -12.053 -7.352 1.00 0.00 C ATOM 422 CD1 TYR A 27 -10.210 -12.706 -6.964 1.00 0.00 C ATOM 423 CD2 TYR A 27 -12.546 -12.350 -6.687 1.00 0.00 C ATOM 424 CE1 TYR A 27 -10.229 -13.630 -5.955 1.00 0.00 C ATOM 425 CE2 TYR A 27 -12.571 -13.271 -5.669 1.00 0.00 C ATOM 426 CZ TYR A 27 -11.409 -13.909 -5.309 1.00 0.00 C ATOM 427 OH TYR A 27 -11.427 -14.840 -4.305 1.00 0.00 O ATOM 0 H TYR A 27 -11.983 -10.240 -10.951 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.994 -12.087 -9.783 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.611 -10.281 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.314 -10.571 -8.537 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -9.279 -12.484 -7.465 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.459 -11.849 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.320 -14.138 -5.668 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.495 -13.492 -5.156 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.014 -14.462 -3.501 1.00 0.00 H new ATOM 437 N LYS A 28 -11.427 -13.944 -10.544 1.00 0.00 N ATOM 438 CA LYS A 28 -12.219 -15.131 -10.906 1.00 0.00 C ATOM 439 C LYS A 28 -13.152 -14.819 -12.065 1.00 0.00 C ATOM 440 O LYS A 28 -14.289 -15.322 -12.146 1.00 0.00 O ATOM 441 CB LYS A 28 -12.996 -15.694 -9.698 1.00 0.00 C ATOM 442 CG LYS A 28 -12.099 -16.132 -8.559 1.00 0.00 C ATOM 443 CD LYS A 28 -12.866 -16.862 -7.474 1.00 0.00 C ATOM 444 CE LYS A 28 -11.943 -17.274 -6.330 1.00 0.00 C ATOM 445 NZ LYS A 28 -10.797 -18.099 -6.789 1.00 0.00 N ATOM 0 H LYS A 28 -10.420 -14.091 -10.610 1.00 0.00 H new ATOM 0 HA LYS A 28 -11.524 -15.907 -11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.688 -14.935 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.597 -16.543 -10.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.314 -16.781 -8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.608 -15.259 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.660 -16.221 -7.092 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.345 -17.746 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.566 -16.380 -5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.515 -17.834 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.361 -18.573 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.133 -18.814 -7.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.093 -17.489 -7.251 1.00 0.00 H new ATOM 459 N GLY A 29 -12.660 -13.983 -12.955 1.00 0.00 N ATOM 460 CA GLY A 29 -13.392 -13.625 -14.133 1.00 0.00 C ATOM 461 C GLY A 29 -14.268 -12.399 -13.967 1.00 0.00 C ATOM 462 O GLY A 29 -14.705 -11.824 -14.956 1.00 0.00 O ATOM 0 H GLY A 29 -11.745 -13.539 -12.875 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.688 -13.448 -14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.017 -14.467 -14.430 1.00 0.00 H new ATOM 466 N GLN A 30 -14.513 -11.976 -12.742 1.00 0.00 N ATOM 467 CA GLN A 30 -15.384 -10.835 -12.527 1.00 0.00 C ATOM 468 C GLN A 30 -14.556 -9.605 -12.179 1.00 0.00 C ATOM 469 O GLN A 30 -13.555 -9.710 -11.462 1.00 0.00 O ATOM 470 CB GLN A 30 -16.436 -11.118 -11.423 1.00 0.00 C ATOM 471 CG GLN A 30 -15.849 -11.358 -10.036 1.00 0.00 C ATOM 472 CD GLN A 30 -16.881 -11.664 -8.982 1.00 0.00 C ATOM 473 OE1 GLN A 30 -17.938 -12.232 -9.262 1.00 0.00 O ATOM 474 NE2 GLN A 30 -16.591 -11.307 -7.756 1.00 0.00 N ATOM 0 H GLN A 30 -14.130 -12.395 -11.895 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.928 -10.647 -13.453 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -17.125 -10.275 -11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -17.021 -11.991 -11.712 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.142 -12.186 -10.090 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.285 -10.476 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.707 -10.838 -7.557 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -17.249 -11.498 -7.000 1.00 0.00 H new ATOM 483 N PRO A 31 -14.898 -8.445 -12.735 1.00 0.00 N ATOM 484 CA PRO A 31 -14.252 -7.201 -12.360 1.00 0.00 C ATOM 485 C PRO A 31 -14.674 -6.814 -10.942 1.00 0.00 C ATOM 486 O PRO A 31 -15.863 -6.556 -10.679 1.00 0.00 O ATOM 487 CB PRO A 31 -14.775 -6.189 -13.387 1.00 0.00 C ATOM 488 CG PRO A 31 -16.058 -6.766 -13.885 1.00 0.00 C ATOM 489 CD PRO A 31 -15.913 -8.257 -13.795 1.00 0.00 C ATOM 0 HA PRO A 31 -13.163 -7.258 -12.359 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.933 -5.211 -12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -14.063 -6.050 -14.201 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -16.899 -6.420 -13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.251 -6.456 -14.912 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.857 -8.737 -13.536 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.587 -8.686 -14.743 1.00 0.00 H new ATOM 497 N MET A 32 -13.739 -6.820 -10.034 1.00 0.00 N ATOM 498 CA MET A 32 -14.030 -6.565 -8.670 1.00 0.00 C ATOM 499 C MET A 32 -13.109 -5.484 -8.114 1.00 0.00 C ATOM 500 O MET A 32 -11.913 -5.437 -8.435 1.00 0.00 O ATOM 501 CB MET A 32 -13.903 -7.865 -7.885 1.00 0.00 C ATOM 502 CG MET A 32 -14.338 -7.748 -6.453 1.00 0.00 C ATOM 503 SD MET A 32 -14.380 -9.338 -5.603 1.00 0.00 S ATOM 504 CE MET A 32 -14.900 -8.819 -3.971 1.00 0.00 C ATOM 0 H MET A 32 -12.755 -7.003 -10.229 1.00 0.00 H new ATOM 0 HA MET A 32 -15.051 -6.194 -8.576 1.00 0.00 H new ATOM 0 HB2 MET A 32 -14.499 -8.635 -8.375 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.865 -8.198 -7.915 1.00 0.00 H new ATOM 0 HG2 MET A 32 -13.660 -7.077 -5.926 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.328 -7.295 -6.415 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.839 -9.663 -3.284 1.00 0.00 H new ATOM 0 HE2 MET A 32 -14.250 -8.017 -3.620 1.00 0.00 H new ATOM 0 HE3 MET A 32 -15.928 -8.460 -4.014 1.00 0.00 H new ATOM 514 N THR A 33 -13.678 -4.608 -7.329 1.00 0.00 N ATOM 515 CA THR A 33 -12.970 -3.526 -6.723 1.00 0.00 C ATOM 516 C THR A 33 -12.455 -3.960 -5.348 1.00 0.00 C ATOM 517 O THR A 33 -13.207 -4.494 -4.523 1.00 0.00 O ATOM 518 CB THR A 33 -13.917 -2.321 -6.562 1.00 0.00 C ATOM 519 OG1 THR A 33 -14.650 -2.135 -7.791 1.00 0.00 O ATOM 520 CG2 THR A 33 -13.133 -1.049 -6.263 1.00 0.00 C ATOM 0 H THR A 33 -14.670 -4.633 -7.092 1.00 0.00 H new ATOM 0 HA THR A 33 -12.127 -3.244 -7.353 1.00 0.00 H new ATOM 0 HB THR A 33 -14.595 -2.519 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.257 -1.371 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.824 -0.213 -6.154 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.570 -1.178 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 33 -12.444 -0.845 -7.082 1.00 0.00 H new ATOM 528 N PHE A 34 -11.199 -3.765 -5.125 1.00 0.00 N ATOM 529 CA PHE A 34 -10.571 -4.092 -3.875 1.00 0.00 C ATOM 530 C PHE A 34 -10.158 -2.828 -3.185 1.00 0.00 C ATOM 531 O PHE A 34 -9.706 -1.876 -3.839 1.00 0.00 O ATOM 532 CB PHE A 34 -9.371 -5.029 -4.082 1.00 0.00 C ATOM 533 CG PHE A 34 -9.755 -6.447 -4.405 1.00 0.00 C ATOM 534 CD1 PHE A 34 -10.287 -6.786 -5.635 1.00 0.00 C ATOM 535 CD2 PHE A 34 -9.589 -7.444 -3.465 1.00 0.00 C ATOM 536 CE1 PHE A 34 -10.644 -8.085 -5.915 1.00 0.00 C ATOM 537 CE2 PHE A 34 -9.942 -8.744 -3.742 1.00 0.00 C ATOM 538 CZ PHE A 34 -10.471 -9.066 -4.969 1.00 0.00 C ATOM 0 H PHE A 34 -10.562 -3.367 -5.815 1.00 0.00 H new ATOM 0 HA PHE A 34 -11.286 -4.624 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -8.752 -4.638 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -8.759 -5.025 -3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -10.424 -6.022 -6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -9.176 -7.200 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -11.061 -8.334 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.804 -9.512 -2.995 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.750 -10.086 -5.189 1.00 0.00 H new ATOM 548 N ARG A 35 -10.338 -2.794 -1.892 1.00 0.00 N ATOM 549 CA ARG A 35 -10.016 -1.629 -1.113 1.00 0.00 C ATOM 550 C ARG A 35 -9.527 -2.118 0.228 1.00 0.00 C ATOM 551 O ARG A 35 -10.155 -2.966 0.838 1.00 0.00 O ATOM 552 CB ARG A 35 -11.270 -0.717 -0.989 1.00 0.00 C ATOM 553 CG ARG A 35 -11.002 0.712 -0.518 1.00 0.00 C ATOM 554 CD ARG A 35 -10.727 0.830 0.968 1.00 0.00 C ATOM 555 NE ARG A 35 -10.038 2.080 1.252 1.00 0.00 N ATOM 556 CZ ARG A 35 -10.034 2.759 2.390 1.00 0.00 C ATOM 557 NH1 ARG A 35 -10.841 2.415 3.396 1.00 0.00 N ATOM 558 NH2 ARG A 35 -9.212 3.806 2.508 1.00 0.00 N ATOM 0 H ARG A 35 -10.712 -3.573 -1.349 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.239 -1.026 -1.583 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.764 -0.674 -1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.970 -1.184 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.149 1.111 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.862 1.333 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.664 0.788 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -10.121 -0.012 1.301 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.495 2.480 0.486 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -11.472 1.620 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.827 2.947 4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.605 4.068 1.731 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.192 4.343 3.375 1.00 0.00 H new ATOM 572 N LEU A 36 -8.408 -1.617 0.662 1.00 0.00 N ATOM 573 CA LEU A 36 -7.808 -2.075 1.902 1.00 0.00 C ATOM 574 C LEU A 36 -8.323 -1.362 3.120 1.00 0.00 C ATOM 575 O LEU A 36 -8.617 -0.188 3.091 1.00 0.00 O ATOM 576 CB LEU A 36 -6.284 -2.030 1.865 1.00 0.00 C ATOM 577 CG LEU A 36 -5.567 -3.181 1.154 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.913 -4.512 1.809 1.00 0.00 C ATOM 579 CD2 LEU A 36 -5.854 -3.209 -0.347 1.00 0.00 C ATOM 0 H LEU A 36 -7.883 -0.887 0.180 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.117 -3.117 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.985 -1.098 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.922 -1.990 2.892 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.496 -3.011 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.394 -5.318 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.604 -4.495 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.989 -4.677 1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.322 -4.044 -0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.925 -3.328 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.520 -2.275 -0.799 1.00 0.00 H new ATOM 591 N LEU A 37 -8.421 -2.105 4.193 1.00 0.00 N ATOM 592 CA LEU A 37 -8.892 -1.577 5.450 1.00 0.00 C ATOM 593 C LEU A 37 -7.710 -1.131 6.326 1.00 0.00 C ATOM 594 O LEU A 37 -7.800 -0.153 7.047 1.00 0.00 O ATOM 595 CB LEU A 37 -9.698 -2.661 6.172 1.00 0.00 C ATOM 596 CG LEU A 37 -10.395 -2.243 7.459 1.00 0.00 C ATOM 597 CD1 LEU A 37 -11.472 -1.210 7.166 1.00 0.00 C ATOM 598 CD2 LEU A 37 -10.980 -3.459 8.156 1.00 0.00 C ATOM 0 H LEU A 37 -8.176 -3.095 4.221 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.523 -0.708 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.452 -3.041 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.028 -3.490 6.400 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.663 -1.787 8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.962 -0.921 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.018 -0.332 6.706 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.209 -1.636 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.476 -3.148 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.703 -3.942 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.181 -4.161 8.395 1.00 0.00 H new ATOM 610 N LEU A 38 -6.595 -1.856 6.225 1.00 0.00 N ATOM 611 CA LEU A 38 -5.417 -1.585 7.065 1.00 0.00 C ATOM 612 C LEU A 38 -4.638 -0.366 6.597 1.00 0.00 C ATOM 613 O LEU A 38 -3.887 0.226 7.368 1.00 0.00 O ATOM 614 CB LEU A 38 -4.457 -2.799 7.158 1.00 0.00 C ATOM 615 CG LEU A 38 -4.906 -4.046 7.951 1.00 0.00 C ATOM 616 CD1 LEU A 38 -5.256 -3.698 9.378 1.00 0.00 C ATOM 617 CD2 LEU A 38 -6.042 -4.782 7.274 1.00 0.00 C ATOM 0 H LEU A 38 -6.478 -2.633 5.574 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.819 -1.384 8.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.231 -3.119 6.141 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.523 -2.448 7.597 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.054 -4.725 7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.568 -4.599 9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.384 -3.271 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.070 -2.973 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.320 -5.650 7.871 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.900 -4.117 7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.725 -5.109 6.284 1.00 0.00 H new ATOM 629 N VAL A 39 -4.806 0.006 5.350 1.00 0.00 N ATOM 630 CA VAL A 39 -4.099 1.146 4.816 1.00 0.00 C ATOM 631 C VAL A 39 -5.088 2.116 4.242 1.00 0.00 C ATOM 632 O VAL A 39 -6.083 1.711 3.644 1.00 0.00 O ATOM 633 CB VAL A 39 -3.011 0.779 3.741 1.00 0.00 C ATOM 634 CG1 VAL A 39 -1.978 -0.160 4.311 1.00 0.00 C ATOM 635 CG2 VAL A 39 -3.615 0.182 2.477 1.00 0.00 C ATOM 0 H VAL A 39 -5.424 -0.463 4.688 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.553 1.594 5.646 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.528 1.716 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.239 -0.396 3.545 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.483 0.314 5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.464 -1.078 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.820 -0.053 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.158 -0.729 2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.301 0.900 2.027 1.00 0.00 H new ATOM 645 N ASP A 40 -4.848 3.367 4.457 1.00 0.00 N ATOM 646 CA ASP A 40 -5.716 4.398 3.939 1.00 0.00 C ATOM 647 C ASP A 40 -4.867 5.388 3.200 1.00 0.00 C ATOM 648 O ASP A 40 -3.940 5.988 3.787 1.00 0.00 O ATOM 649 CB ASP A 40 -6.476 5.084 5.081 1.00 0.00 C ATOM 650 CG ASP A 40 -7.548 6.033 4.612 1.00 0.00 C ATOM 651 OD1 ASP A 40 -8.713 5.592 4.438 1.00 0.00 O ATOM 652 OD2 ASP A 40 -7.268 7.240 4.438 1.00 0.00 O ATOM 0 H ASP A 40 -4.052 3.713 4.993 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.456 3.964 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.930 4.321 5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.766 5.630 5.701 1.00 0.00 H new ATOM 657 N THR A 41 -5.109 5.529 1.933 1.00 0.00 N ATOM 658 CA THR A 41 -4.332 6.420 1.123 1.00 0.00 C ATOM 659 C THR A 41 -5.049 7.746 0.950 1.00 0.00 C ATOM 660 O THR A 41 -6.290 7.784 0.918 1.00 0.00 O ATOM 661 CB THR A 41 -4.011 5.811 -0.263 1.00 0.00 C ATOM 662 OG1 THR A 41 -5.213 5.403 -0.928 1.00 0.00 O ATOM 663 CG2 THR A 41 -3.070 4.624 -0.126 1.00 0.00 C ATOM 0 H THR A 41 -5.846 5.033 1.432 1.00 0.00 H new ATOM 0 HA THR A 41 -3.388 6.585 1.643 1.00 0.00 H new ATOM 0 HB THR A 41 -3.521 6.580 -0.860 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.926 5.279 -0.268 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.858 4.212 -1.113 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.139 4.949 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.537 3.859 0.494 1.00 0.00 H new ATOM 671 N PRO A 42 -4.306 8.850 0.863 1.00 0.00 N ATOM 672 CA PRO A 42 -4.893 10.147 0.645 1.00 0.00 C ATOM 673 C PRO A 42 -5.375 10.260 -0.788 1.00 0.00 C ATOM 674 O PRO A 42 -4.569 10.294 -1.723 1.00 0.00 O ATOM 675 CB PRO A 42 -3.745 11.130 0.881 1.00 0.00 C ATOM 676 CG PRO A 42 -2.602 10.324 1.378 1.00 0.00 C ATOM 677 CD PRO A 42 -2.841 8.920 0.941 1.00 0.00 C ATOM 0 HA PRO A 42 -5.748 10.334 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.483 11.650 -0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.028 11.892 1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.661 10.699 0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.530 10.384 2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.374 8.711 -0.021 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.439 8.200 1.654 1.00 0.00 H new ATOM 910 N GLU A 57 0.400 10.194 -6.037 1.00 0.00 N ATOM 911 CA GLU A 57 1.665 9.542 -5.735 1.00 0.00 C ATOM 912 C GLU A 57 1.489 8.092 -5.286 1.00 0.00 C ATOM 913 O GLU A 57 2.180 7.196 -5.794 1.00 0.00 O ATOM 914 CB GLU A 57 2.552 10.363 -4.744 1.00 0.00 C ATOM 915 CG GLU A 57 1.979 10.619 -3.340 1.00 0.00 C ATOM 916 CD GLU A 57 0.797 11.559 -3.308 1.00 0.00 C ATOM 917 OE1 GLU A 57 -0.337 11.100 -3.438 1.00 0.00 O ATOM 918 OE2 GLU A 57 0.989 12.792 -3.154 1.00 0.00 O ATOM 0 HA GLU A 57 2.211 9.510 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.504 9.844 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.768 11.328 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.681 9.666 -2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.768 11.026 -2.708 1.00 0.00 H new ATOM 925 N ALA A 58 0.563 7.859 -4.369 1.00 0.00 N ATOM 926 CA ALA A 58 0.270 6.525 -3.896 1.00 0.00 C ATOM 927 C ALA A 58 -0.360 5.701 -5.007 1.00 0.00 C ATOM 928 O ALA A 58 0.095 4.609 -5.306 1.00 0.00 O ATOM 929 CB ALA A 58 -0.641 6.566 -2.673 1.00 0.00 C ATOM 0 H ALA A 58 -0.002 8.590 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 58 1.207 6.053 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.846 5.549 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.151 7.120 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.578 7.058 -2.934 1.00 0.00 H new ATOM 935 N SER A 59 -1.369 6.278 -5.650 1.00 0.00 N ATOM 936 CA SER A 59 -2.134 5.625 -6.713 1.00 0.00 C ATOM 937 C SER A 59 -1.237 5.146 -7.861 1.00 0.00 C ATOM 938 O SER A 59 -1.351 4.010 -8.329 1.00 0.00 O ATOM 939 CB SER A 59 -3.164 6.611 -7.228 1.00 0.00 C ATOM 940 OG SER A 59 -3.900 7.133 -6.140 1.00 0.00 O ATOM 0 H SER A 59 -1.685 7.226 -5.447 1.00 0.00 H new ATOM 0 HA SER A 59 -2.618 4.738 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.671 7.419 -7.769 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.835 6.119 -7.932 1.00 0.00 H new ATOM 0 HG SER A 59 -4.565 7.772 -6.471 1.00 0.00 H new ATOM 946 N ALA A 60 -0.333 6.005 -8.280 1.00 0.00 N ATOM 947 CA ALA A 60 0.577 5.709 -9.358 1.00 0.00 C ATOM 948 C ALA A 60 1.581 4.646 -8.953 1.00 0.00 C ATOM 949 O ALA A 60 2.020 3.857 -9.788 1.00 0.00 O ATOM 950 CB ALA A 60 1.282 6.970 -9.815 1.00 0.00 C ATOM 0 H ALA A 60 -0.210 6.934 -7.877 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.003 5.315 -10.192 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.966 6.730 -10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.545 7.694 -10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.844 7.395 -8.983 1.00 0.00 H new ATOM 956 N PHE A 61 1.924 4.611 -7.681 1.00 0.00 N ATOM 957 CA PHE A 61 2.864 3.635 -7.179 1.00 0.00 C ATOM 958 C PHE A 61 2.199 2.263 -7.133 1.00 0.00 C ATOM 959 O PHE A 61 2.764 1.281 -7.627 1.00 0.00 O ATOM 960 CB PHE A 61 3.363 4.033 -5.797 1.00 0.00 C ATOM 961 CG PHE A 61 4.475 3.169 -5.260 1.00 0.00 C ATOM 962 CD1 PHE A 61 5.795 3.475 -5.533 1.00 0.00 C ATOM 963 CD2 PHE A 61 4.199 2.072 -4.466 1.00 0.00 C ATOM 964 CE1 PHE A 61 6.817 2.701 -5.029 1.00 0.00 C ATOM 965 CE2 PHE A 61 5.215 1.296 -3.955 1.00 0.00 C ATOM 966 CZ PHE A 61 6.528 1.609 -4.237 1.00 0.00 C ATOM 0 H PHE A 61 1.562 5.252 -6.975 1.00 0.00 H new ATOM 0 HA PHE A 61 3.723 3.593 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.708 5.066 -5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.526 4.001 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.028 4.331 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.173 1.820 -4.243 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.844 2.949 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.984 0.443 -3.334 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.327 1.001 -3.839 1.00 0.00 H new ATOM 976 N THR A 62 0.992 2.214 -6.555 1.00 0.00 N ATOM 977 CA THR A 62 0.193 0.995 -6.483 1.00 0.00 C ATOM 978 C THR A 62 0.033 0.413 -7.890 1.00 0.00 C ATOM 979 O THR A 62 0.295 -0.779 -8.128 1.00 0.00 O ATOM 980 CB THR A 62 -1.221 1.305 -5.914 1.00 0.00 C ATOM 981 OG1 THR A 62 -1.106 2.037 -4.689 1.00 0.00 O ATOM 982 CG2 THR A 62 -2.002 0.021 -5.654 1.00 0.00 C ATOM 0 H THR A 62 0.545 3.024 -6.124 1.00 0.00 H new ATOM 0 HA THR A 62 0.699 0.285 -5.829 1.00 0.00 H new ATOM 0 HB THR A 62 -1.756 1.899 -6.655 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.972 2.045 -4.230 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.986 0.268 -5.257 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.115 -0.531 -6.587 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.463 -0.593 -4.932 1.00 0.00 H new ATOM 990 N LYS A 63 -0.330 1.296 -8.820 1.00 0.00 N ATOM 991 CA LYS A 63 -0.542 0.945 -10.202 1.00 0.00 C ATOM 992 C LYS A 63 0.749 0.386 -10.816 1.00 0.00 C ATOM 993 O LYS A 63 0.752 -0.690 -11.381 1.00 0.00 O ATOM 994 CB LYS A 63 -1.012 2.185 -10.968 1.00 0.00 C ATOM 995 CG LYS A 63 -1.402 1.912 -12.407 1.00 0.00 C ATOM 996 CD LYS A 63 -1.863 3.180 -13.124 1.00 0.00 C ATOM 997 CE LYS A 63 -0.723 4.172 -13.329 1.00 0.00 C ATOM 998 NZ LYS A 63 0.263 3.709 -14.335 1.00 0.00 N ATOM 0 H LYS A 63 -0.484 2.284 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.307 0.171 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.866 2.619 -10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.217 2.931 -10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.552 1.483 -12.938 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.200 1.170 -12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.289 2.914 -14.091 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.656 3.655 -12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.134 5.132 -13.643 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.216 4.338 -12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.226 3.897 -13.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.145 2.688 -14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.111 4.217 -15.230 1.00 0.00 H new ATOM 1012 N LYS A 64 1.833 1.113 -10.641 1.00 0.00 N ATOM 1013 CA LYS A 64 3.161 0.738 -11.157 1.00 0.00 C ATOM 1014 C LYS A 64 3.561 -0.666 -10.710 1.00 0.00 C ATOM 1015 O LYS A 64 4.032 -1.476 -11.522 1.00 0.00 O ATOM 1016 CB LYS A 64 4.198 1.745 -10.669 1.00 0.00 C ATOM 1017 CG LYS A 64 5.588 1.597 -11.254 1.00 0.00 C ATOM 1018 CD LYS A 64 6.551 2.567 -10.585 1.00 0.00 C ATOM 1019 CE LYS A 64 7.900 2.609 -11.288 1.00 0.00 C ATOM 1020 NZ LYS A 64 7.788 3.163 -12.658 1.00 0.00 N ATOM 0 H LYS A 64 1.831 1.996 -10.131 1.00 0.00 H new ATOM 0 HA LYS A 64 3.115 0.744 -12.246 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.835 2.748 -10.892 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.271 1.666 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.939 0.574 -11.119 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.560 1.785 -12.327 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.114 3.566 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.694 2.276 -9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.595 3.215 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.317 1.603 -11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.732 3.429 -13.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.377 2.446 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.175 4.003 -12.644 1.00 0.00 H new ATOM 1034 N MET A 65 3.358 -0.947 -9.441 1.00 0.00 N ATOM 1035 CA MET A 65 3.688 -2.248 -8.862 1.00 0.00 C ATOM 1036 C MET A 65 2.950 -3.344 -9.566 1.00 0.00 C ATOM 1037 O MET A 65 3.556 -4.309 -10.048 1.00 0.00 O ATOM 1038 CB MET A 65 3.324 -2.295 -7.383 1.00 0.00 C ATOM 1039 CG MET A 65 4.074 -1.325 -6.510 1.00 0.00 C ATOM 1040 SD MET A 65 5.838 -1.684 -6.387 1.00 0.00 S ATOM 1041 CE MET A 65 5.817 -3.275 -5.557 1.00 0.00 C ATOM 0 H MET A 65 2.960 -0.285 -8.775 1.00 0.00 H new ATOM 0 HA MET A 65 4.762 -2.391 -8.979 1.00 0.00 H new ATOM 0 HB2 MET A 65 2.256 -2.101 -7.281 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.501 -3.305 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.943 -0.317 -6.904 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.638 -1.336 -5.511 1.00 0.00 H new ATOM 0 HE1 MET A 65 6.800 -3.476 -5.130 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.072 -3.261 -4.762 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.567 -4.056 -6.275 1.00 0.00 H new ATOM 1051 N VAL A 66 1.659 -3.172 -9.675 1.00 0.00 N ATOM 1052 CA VAL A 66 0.809 -4.207 -10.239 1.00 0.00 C ATOM 1053 C VAL A 66 0.912 -4.305 -11.765 1.00 0.00 C ATOM 1054 O VAL A 66 0.675 -5.368 -12.330 1.00 0.00 O ATOM 1055 CB VAL A 66 -0.674 -4.116 -9.776 1.00 0.00 C ATOM 1056 CG1 VAL A 66 -0.777 -4.364 -8.280 1.00 0.00 C ATOM 1057 CG2 VAL A 66 -1.278 -2.773 -10.115 1.00 0.00 C ATOM 0 H VAL A 66 1.166 -2.328 -9.383 1.00 0.00 H new ATOM 0 HA VAL A 66 1.205 -5.137 -9.831 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.233 -4.885 -10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.820 -4.297 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.393 -5.358 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.192 -3.615 -7.746 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.314 -2.744 -9.777 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.713 -1.984 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.244 -2.620 -11.194 1.00 0.00 H new ATOM 1067 N GLU A 67 1.293 -3.221 -12.432 1.00 0.00 N ATOM 1068 CA GLU A 67 1.445 -3.263 -13.879 1.00 0.00 C ATOM 1069 C GLU A 67 2.701 -4.022 -14.272 1.00 0.00 C ATOM 1070 O GLU A 67 2.723 -4.719 -15.281 1.00 0.00 O ATOM 1071 CB GLU A 67 1.449 -1.876 -14.523 1.00 0.00 C ATOM 1072 CG GLU A 67 0.152 -1.108 -14.369 1.00 0.00 C ATOM 1073 CD GLU A 67 0.112 0.120 -15.235 1.00 0.00 C ATOM 1074 OE1 GLU A 67 0.715 1.156 -14.875 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -0.496 0.057 -16.329 1.00 0.00 O ATOM 0 H GLU A 67 1.499 -2.319 -12.003 1.00 0.00 H new ATOM 0 HA GLU A 67 0.570 -3.790 -14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.258 -1.289 -14.087 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.669 -1.983 -15.585 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.685 -1.758 -14.624 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.025 -0.819 -13.326 1.00 0.00 H new ATOM 1082 N ASN A 68 3.733 -3.904 -13.458 1.00 0.00 N ATOM 1083 CA ASN A 68 5.002 -4.596 -13.726 1.00 0.00 C ATOM 1084 C ASN A 68 4.968 -6.021 -13.206 1.00 0.00 C ATOM 1085 O ASN A 68 5.806 -6.862 -13.567 1.00 0.00 O ATOM 1086 CB ASN A 68 6.197 -3.838 -13.129 1.00 0.00 C ATOM 1087 CG ASN A 68 6.528 -2.553 -13.873 1.00 0.00 C ATOM 1088 OD1 ASN A 68 7.297 -2.561 -14.831 1.00 0.00 O ATOM 1089 ND2 ASN A 68 5.978 -1.448 -13.442 1.00 0.00 N ATOM 0 H ASN A 68 3.729 -3.341 -12.607 1.00 0.00 H new ATOM 0 HA ASN A 68 5.129 -4.626 -14.808 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.984 -3.601 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.071 -4.489 -13.136 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.184 -0.562 -13.904 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.343 -1.472 -12.644 1.00 0.00 H new ATOM 1096 N ALA A 69 4.017 -6.280 -12.347 1.00 0.00 N ATOM 1097 CA ALA A 69 3.812 -7.583 -11.766 1.00 0.00 C ATOM 1098 C ALA A 69 3.321 -8.599 -12.779 1.00 0.00 C ATOM 1099 O ALA A 69 2.393 -8.331 -13.554 1.00 0.00 O ATOM 1100 CB ALA A 69 2.814 -7.485 -10.654 1.00 0.00 C ATOM 0 H ALA A 69 3.350 -5.579 -12.025 1.00 0.00 H new ATOM 0 HA ALA A 69 4.777 -7.924 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.660 -8.471 -10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.186 -6.802 -9.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.868 -7.110 -11.046 1.00 0.00 H new ATOM 1106 N LYS A 70 3.943 -9.754 -12.774 1.00 0.00 N ATOM 1107 CA LYS A 70 3.515 -10.845 -13.603 1.00 0.00 C ATOM 1108 C LYS A 70 2.427 -11.627 -12.893 1.00 0.00 C ATOM 1109 O LYS A 70 1.411 -11.967 -13.486 1.00 0.00 O ATOM 1110 CB LYS A 70 4.687 -11.745 -13.969 1.00 0.00 C ATOM 1111 CG LYS A 70 5.770 -11.055 -14.803 1.00 0.00 C ATOM 1112 CD LYS A 70 5.271 -10.526 -16.165 1.00 0.00 C ATOM 1113 CE LYS A 70 5.057 -11.615 -17.235 1.00 0.00 C ATOM 1114 NZ LYS A 70 3.992 -12.592 -16.918 1.00 0.00 N ATOM 0 H LYS A 70 4.757 -9.959 -12.195 1.00 0.00 H new ATOM 0 HA LYS A 70 3.110 -10.445 -14.533 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.138 -12.127 -13.053 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.311 -12.606 -14.522 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.181 -10.224 -14.230 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.585 -11.758 -14.974 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.331 -9.995 -16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.990 -9.799 -16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.818 -11.132 -18.183 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.994 -12.153 -17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.519 -12.887 -17.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.410 -13.423 -16.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.297 -12.153 -16.281 1.00 0.00 H new ATOM 1128 N LYS A 71 2.638 -11.900 -11.624 1.00 0.00 N ATOM 1129 CA LYS A 71 1.615 -12.548 -10.832 1.00 0.00 C ATOM 1130 C LYS A 71 1.002 -11.565 -9.851 1.00 0.00 C ATOM 1131 O LYS A 71 1.685 -11.018 -8.990 1.00 0.00 O ATOM 1132 CB LYS A 71 2.106 -13.814 -10.075 1.00 0.00 C ATOM 1133 CG LYS A 71 3.329 -13.613 -9.188 1.00 0.00 C ATOM 1134 CD LYS A 71 3.303 -14.502 -7.938 1.00 0.00 C ATOM 1135 CE LYS A 71 3.231 -15.992 -8.243 1.00 0.00 C ATOM 1136 NZ LYS A 71 3.143 -16.792 -6.990 1.00 0.00 N ATOM 0 H LYS A 71 3.500 -11.686 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 71 0.863 -12.889 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.289 -14.187 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.333 -14.589 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.230 -13.827 -9.763 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.386 -12.568 -8.885 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.196 -14.305 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.446 -14.225 -7.324 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.363 -16.196 -8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.112 -16.293 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.282 -17.799 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.879 -16.478 -6.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.206 -16.659 -6.558 1.00 0.00 H new ATOM 1150 N ILE A 72 -0.247 -11.298 -10.018 1.00 0.00 N ATOM 1151 CA ILE A 72 -0.970 -10.478 -9.095 1.00 0.00 C ATOM 1152 C ILE A 72 -1.800 -11.397 -8.231 1.00 0.00 C ATOM 1153 O ILE A 72 -2.633 -12.153 -8.741 1.00 0.00 O ATOM 1154 CB ILE A 72 -1.874 -9.463 -9.830 1.00 0.00 C ATOM 1155 CG1 ILE A 72 -1.014 -8.617 -10.774 1.00 0.00 C ATOM 1156 CG2 ILE A 72 -2.616 -8.575 -8.823 1.00 0.00 C ATOM 1157 CD1 ILE A 72 -1.776 -7.568 -11.547 1.00 0.00 C ATOM 0 H ILE A 72 -0.803 -11.642 -10.801 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.274 -9.898 -8.489 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.623 -9.999 -10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.234 -8.126 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.515 -9.279 -11.481 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.248 -7.867 -9.359 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.236 -9.197 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.893 -8.030 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.088 -7.018 -12.189 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.538 -8.050 -12.160 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.253 -6.878 -10.851 1.00 0.00 H new ATOM 1169 N GLU A 73 -1.541 -11.385 -6.961 1.00 0.00 N ATOM 1170 CA GLU A 73 -2.235 -12.262 -6.054 1.00 0.00 C ATOM 1171 C GLU A 73 -2.988 -11.426 -5.046 1.00 0.00 C ATOM 1172 O GLU A 73 -2.477 -10.398 -4.586 1.00 0.00 O ATOM 1173 CB GLU A 73 -1.235 -13.133 -5.294 1.00 0.00 C ATOM 1174 CG GLU A 73 -0.217 -13.866 -6.152 1.00 0.00 C ATOM 1175 CD GLU A 73 0.731 -14.723 -5.323 1.00 0.00 C ATOM 1176 OE1 GLU A 73 1.295 -14.223 -4.311 1.00 0.00 O ATOM 1177 OE2 GLU A 73 0.931 -15.911 -5.662 1.00 0.00 O ATOM 0 H GLU A 73 -0.851 -10.776 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.915 -12.894 -6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.699 -12.504 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.790 -13.869 -4.712 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.739 -14.498 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.360 -13.141 -6.725 1.00 0.00 H new ATOM 1184 N VAL A 74 -4.175 -11.842 -4.704 1.00 0.00 N ATOM 1185 CA VAL A 74 -4.947 -11.165 -3.689 1.00 0.00 C ATOM 1186 C VAL A 74 -5.058 -12.063 -2.452 1.00 0.00 C ATOM 1187 O VAL A 74 -5.531 -13.193 -2.531 1.00 0.00 O ATOM 1188 CB VAL A 74 -6.367 -10.710 -4.201 1.00 0.00 C ATOM 1189 CG1 VAL A 74 -6.242 -9.718 -5.338 1.00 0.00 C ATOM 1190 CG2 VAL A 74 -7.221 -11.876 -4.651 1.00 0.00 C ATOM 0 H VAL A 74 -4.636 -12.654 -5.115 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.422 -10.247 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.859 -10.236 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.236 -9.421 -5.672 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.696 -8.839 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.704 -10.179 -6.166 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.188 -11.508 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.722 -12.399 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.369 -12.562 -3.817 1.00 0.00 H new ATOM 1200 N GLU A 75 -4.562 -11.597 -1.343 1.00 0.00 N ATOM 1201 CA GLU A 75 -4.589 -12.375 -0.123 1.00 0.00 C ATOM 1202 C GLU A 75 -5.643 -11.822 0.813 1.00 0.00 C ATOM 1203 O GLU A 75 -5.490 -10.747 1.355 1.00 0.00 O ATOM 1204 CB GLU A 75 -3.208 -12.357 0.546 1.00 0.00 C ATOM 1205 CG GLU A 75 -3.083 -13.219 1.798 1.00 0.00 C ATOM 1206 CD GLU A 75 -1.695 -13.167 2.411 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -1.337 -12.145 3.027 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -0.924 -14.138 2.270 1.00 0.00 O ATOM 0 H GLU A 75 -4.130 -10.678 -1.251 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.840 -13.408 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.466 -12.689 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.961 -11.328 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.814 -12.888 2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.327 -14.252 1.549 1.00 0.00 H new ATOM 1215 N PHE A 76 -6.700 -12.554 0.994 1.00 0.00 N ATOM 1216 CA PHE A 76 -7.785 -12.119 1.866 1.00 0.00 C ATOM 1217 C PHE A 76 -7.410 -12.455 3.271 1.00 0.00 C ATOM 1218 O PHE A 76 -6.888 -13.526 3.490 1.00 0.00 O ATOM 1219 CB PHE A 76 -9.097 -12.817 1.507 1.00 0.00 C ATOM 1220 CG PHE A 76 -9.604 -12.510 0.135 1.00 0.00 C ATOM 1221 CD1 PHE A 76 -10.450 -11.438 -0.076 1.00 0.00 C ATOM 1222 CD2 PHE A 76 -9.243 -13.298 -0.940 1.00 0.00 C ATOM 1223 CE1 PHE A 76 -10.928 -11.156 -1.334 1.00 0.00 C ATOM 1224 CE2 PHE A 76 -9.715 -13.021 -2.199 1.00 0.00 C ATOM 1225 CZ PHE A 76 -10.559 -11.949 -2.398 1.00 0.00 C ATOM 0 H PHE A 76 -6.849 -13.462 0.554 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.935 -11.046 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.958 -13.894 1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.857 -12.532 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.739 -10.814 0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.583 -14.140 -0.789 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -11.590 -10.316 -1.487 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.425 -13.643 -3.033 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.931 -11.731 -3.388 1.00 0.00 H new ATOM 1235 N ASP A 77 -7.659 -11.552 4.209 1.00 0.00 N ATOM 1236 CA ASP A 77 -7.278 -11.757 5.619 1.00 0.00 C ATOM 1237 C ASP A 77 -8.258 -12.760 6.283 1.00 0.00 C ATOM 1238 O ASP A 77 -9.161 -13.279 5.621 1.00 0.00 O ATOM 1239 CB ASP A 77 -7.258 -10.399 6.372 1.00 0.00 C ATOM 1240 CG ASP A 77 -6.396 -10.398 7.640 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -6.809 -10.948 8.661 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -5.287 -9.825 7.626 1.00 0.00 O ATOM 0 H ASP A 77 -8.125 -10.663 4.028 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.274 -12.177 5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.891 -9.626 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.280 -10.129 6.640 1.00 0.00 H new ATOM 1247 N LYS A 78 -8.111 -12.999 7.573 1.00 0.00 N ATOM 1248 CA LYS A 78 -8.910 -14.009 8.270 1.00 0.00 C ATOM 1249 C LYS A 78 -10.215 -13.435 8.806 1.00 0.00 C ATOM 1250 O LYS A 78 -11.003 -14.151 9.433 1.00 0.00 O ATOM 1251 CB LYS A 78 -8.128 -14.634 9.426 1.00 0.00 C ATOM 1252 CG LYS A 78 -7.692 -13.629 10.482 1.00 0.00 C ATOM 1253 CD LYS A 78 -7.104 -14.290 11.723 1.00 0.00 C ATOM 1254 CE LYS A 78 -8.168 -14.851 12.694 1.00 0.00 C ATOM 1255 NZ LYS A 78 -9.004 -15.957 12.141 1.00 0.00 N ATOM 0 H LYS A 78 -7.444 -12.508 8.168 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.144 -14.777 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.744 -15.400 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.246 -15.135 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.952 -12.954 10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.548 -13.020 10.772 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.444 -15.101 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.489 -13.563 12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.666 -15.210 13.592 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.825 -14.037 13.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.367 -16.541 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.802 -15.556 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.426 -16.546 11.508 1.00 0.00 H new ATOM 1269 N GLY A 79 -10.411 -12.156 8.613 1.00 0.00 N ATOM 1270 CA GLY A 79 -11.639 -11.543 9.034 1.00 0.00 C ATOM 1271 C GLY A 79 -12.625 -11.521 7.909 1.00 0.00 C ATOM 1272 O GLY A 79 -12.723 -12.488 7.166 1.00 0.00 O ATOM 0 H GLY A 79 -9.742 -11.526 8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.055 -12.091 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.446 -10.526 9.377 1.00 0.00 H new ATOM 1276 N GLN A 80 -13.331 -10.430 7.743 1.00 0.00 N ATOM 1277 CA GLN A 80 -14.293 -10.349 6.699 1.00 0.00 C ATOM 1278 C GLN A 80 -13.593 -10.243 5.351 1.00 0.00 C ATOM 1279 O GLN A 80 -12.606 -9.524 5.202 1.00 0.00 O ATOM 1280 CB GLN A 80 -15.286 -9.208 6.926 1.00 0.00 C ATOM 1281 CG GLN A 80 -14.684 -7.832 7.105 1.00 0.00 C ATOM 1282 CD GLN A 80 -15.731 -6.743 7.198 1.00 0.00 C ATOM 1283 OE1 GLN A 80 -15.394 -5.574 6.733 1.00 0.00 O flip ATOM 1284 NE2 GLN A 80 -16.849 -6.963 7.676 1.00 0.00 N flip ATOM 0 H GLN A 80 -13.250 -9.594 8.321 1.00 0.00 H new ATOM 0 HA GLN A 80 -14.882 -11.266 6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -15.972 -9.176 6.079 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -15.881 -9.441 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.074 -7.822 8.008 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -14.018 -7.620 6.268 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -17.078 -7.891 8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -17.543 -6.216 7.716 1.00 0.00 H new ATOM 1293 N ARG A 81 -14.090 -10.973 4.405 1.00 0.00 N ATOM 1294 CA ARG A 81 -13.504 -11.059 3.087 1.00 0.00 C ATOM 1295 C ARG A 81 -13.812 -9.809 2.263 1.00 0.00 C ATOM 1296 O ARG A 81 -13.041 -9.413 1.376 1.00 0.00 O ATOM 1297 CB ARG A 81 -14.011 -12.343 2.404 1.00 0.00 C ATOM 1298 CG ARG A 81 -13.654 -12.503 0.952 1.00 0.00 C ATOM 1299 CD ARG A 81 -14.056 -13.874 0.452 1.00 0.00 C ATOM 1300 NE ARG A 81 -15.491 -14.160 0.646 1.00 0.00 N ATOM 1301 CZ ARG A 81 -16.130 -15.233 0.134 1.00 0.00 C ATOM 1302 NH1 ARG A 81 -15.513 -16.021 -0.751 1.00 0.00 N ATOM 1303 NH2 ARG A 81 -17.392 -15.494 0.490 1.00 0.00 N ATOM 0 H ARG A 81 -14.930 -11.540 4.519 1.00 0.00 H new ATOM 0 HA ARG A 81 -12.418 -11.110 3.169 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.619 -13.201 2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.097 -12.375 2.496 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.153 -11.734 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.582 -12.361 0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -13.815 -13.953 -0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.467 -14.631 0.970 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.036 -13.503 1.204 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.558 -15.812 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.997 -16.831 -1.137 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -17.873 -14.882 1.149 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.874 -16.305 0.102 1.00 0.00 H new ATOM 1317 N THR A 82 -14.906 -9.177 2.566 1.00 0.00 N ATOM 1318 CA THR A 82 -15.306 -8.009 1.848 1.00 0.00 C ATOM 1319 C THR A 82 -15.618 -6.842 2.777 1.00 0.00 C ATOM 1320 O THR A 82 -16.044 -7.028 3.927 1.00 0.00 O ATOM 1321 CB THR A 82 -16.512 -8.306 0.924 1.00 0.00 C ATOM 1322 OG1 THR A 82 -17.509 -9.061 1.648 1.00 0.00 O ATOM 1323 CG2 THR A 82 -16.083 -9.085 -0.314 1.00 0.00 C ATOM 0 H THR A 82 -15.542 -9.456 3.313 1.00 0.00 H new ATOM 0 HA THR A 82 -14.459 -7.716 1.228 1.00 0.00 H new ATOM 0 HB THR A 82 -16.931 -7.353 0.601 1.00 0.00 H new ATOM 0 HG1 THR A 82 -18.271 -9.245 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 82 -16.953 -9.278 -0.942 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.352 -8.503 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.637 -10.032 -0.011 1.00 0.00 H new ATOM 1331 N ASP A 83 -15.371 -5.662 2.270 1.00 0.00 N ATOM 1332 CA ASP A 83 -15.657 -4.393 2.912 1.00 0.00 C ATOM 1333 C ASP A 83 -17.174 -4.206 2.987 1.00 0.00 C ATOM 1334 O ASP A 83 -17.923 -4.892 2.283 1.00 0.00 O ATOM 1335 CB ASP A 83 -15.013 -3.263 2.067 1.00 0.00 C ATOM 1336 CG ASP A 83 -15.310 -1.859 2.547 1.00 0.00 C ATOM 1337 OD1 ASP A 83 -14.594 -1.346 3.405 1.00 0.00 O ATOM 1338 OD2 ASP A 83 -16.282 -1.256 2.054 1.00 0.00 O ATOM 0 H ASP A 83 -14.943 -5.548 1.351 1.00 0.00 H new ATOM 0 HA ASP A 83 -15.249 -4.367 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.933 -3.407 2.058 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -15.356 -3.359 1.037 1.00 0.00 H new ATOM 1343 N LYS A 84 -17.615 -3.261 3.789 1.00 0.00 N ATOM 1344 CA LYS A 84 -19.030 -3.010 4.015 1.00 0.00 C ATOM 1345 C LYS A 84 -19.699 -2.513 2.707 1.00 0.00 C ATOM 1346 O LYS A 84 -20.904 -2.682 2.495 1.00 0.00 O ATOM 1347 CB LYS A 84 -19.167 -1.960 5.133 1.00 0.00 C ATOM 1348 CG LYS A 84 -20.292 -2.216 6.149 1.00 0.00 C ATOM 1349 CD LYS A 84 -21.694 -2.167 5.552 1.00 0.00 C ATOM 1350 CE LYS A 84 -22.056 -0.779 5.046 1.00 0.00 C ATOM 1351 NZ LYS A 84 -23.413 -0.752 4.492 1.00 0.00 N ATOM 0 H LYS A 84 -16.999 -2.637 4.310 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.531 -3.930 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.221 -1.903 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.331 -0.985 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.138 -3.193 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -20.222 -1.476 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -21.762 -2.880 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -22.418 -2.478 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -21.980 -0.061 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -21.343 -0.470 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -23.631 0.207 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -23.477 -1.421 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -24.094 -1.023 5.229 1.00 0.00 H new ATOM 1365 N TYR A 85 -18.910 -1.913 1.836 1.00 0.00 N ATOM 1366 CA TYR A 85 -19.393 -1.410 0.561 1.00 0.00 C ATOM 1367 C TYR A 85 -19.148 -2.423 -0.567 1.00 0.00 C ATOM 1368 O TYR A 85 -19.277 -2.098 -1.751 1.00 0.00 O ATOM 1369 CB TYR A 85 -18.746 -0.059 0.228 1.00 0.00 C ATOM 1370 CG TYR A 85 -19.145 1.076 1.151 1.00 0.00 C ATOM 1371 CD1 TYR A 85 -18.649 1.159 2.446 1.00 0.00 C ATOM 1372 CD2 TYR A 85 -20.016 2.070 0.723 1.00 0.00 C ATOM 1373 CE1 TYR A 85 -19.003 2.189 3.283 1.00 0.00 C ATOM 1374 CE2 TYR A 85 -20.374 3.111 1.557 1.00 0.00 C ATOM 1375 CZ TYR A 85 -19.862 3.164 2.837 1.00 0.00 C ATOM 1376 OH TYR A 85 -20.207 4.201 3.675 1.00 0.00 O ATOM 0 H TYR A 85 -17.914 -1.760 1.992 1.00 0.00 H new ATOM 0 HA TYR A 85 -20.469 -1.262 0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -17.662 -0.172 0.260 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -19.008 0.212 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -17.971 0.398 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -20.420 2.028 -0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -18.608 2.232 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -21.050 3.878 1.210 1.00 0.00 H new ATOM 0 HH TYR A 85 -20.821 4.807 3.210 1.00 0.00 H new ATOM 1386 N GLY A 86 -18.772 -3.634 -0.202 1.00 0.00 N ATOM 1387 CA GLY A 86 -18.636 -4.697 -1.181 1.00 0.00 C ATOM 1388 C GLY A 86 -17.279 -4.756 -1.851 1.00 0.00 C ATOM 1389 O GLY A 86 -17.086 -5.512 -2.805 1.00 0.00 O ATOM 0 H GLY A 86 -18.557 -3.906 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -18.829 -5.652 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.401 -4.570 -1.947 1.00 0.00 H new ATOM 1393 N ARG A 87 -16.345 -3.961 -1.384 1.00 0.00 N ATOM 1394 CA ARG A 87 -14.995 -4.009 -1.915 1.00 0.00 C ATOM 1395 C ARG A 87 -14.296 -5.226 -1.338 1.00 0.00 C ATOM 1396 O ARG A 87 -14.650 -5.680 -0.269 1.00 0.00 O ATOM 1397 CB ARG A 87 -14.189 -2.737 -1.582 1.00 0.00 C ATOM 1398 CG ARG A 87 -14.511 -1.476 -2.405 1.00 0.00 C ATOM 1399 CD ARG A 87 -15.931 -0.969 -2.234 1.00 0.00 C ATOM 1400 NE ARG A 87 -16.121 0.309 -2.927 1.00 0.00 N ATOM 1401 CZ ARG A 87 -17.291 0.795 -3.371 1.00 0.00 C ATOM 1402 NH1 ARG A 87 -18.414 0.089 -3.244 1.00 0.00 N ATOM 1403 NH2 ARG A 87 -17.334 1.987 -3.955 1.00 0.00 N ATOM 0 H ARG A 87 -16.489 -3.276 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 87 -15.055 -4.072 -3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -14.343 -2.504 -0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.130 -2.963 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.818 -0.684 -2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.338 -1.690 -3.460 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -16.633 -1.706 -2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.152 -0.848 -1.174 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.291 0.879 -3.086 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -18.391 -0.832 -2.805 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -19.297 0.469 -3.585 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -16.479 2.532 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.222 2.358 -4.293 1.00 0.00 H new ATOM 1417 N GLY A 88 -13.357 -5.763 -2.038 1.00 0.00 N ATOM 1418 CA GLY A 88 -12.656 -6.909 -1.521 1.00 0.00 C ATOM 1419 C GLY A 88 -11.543 -6.501 -0.591 1.00 0.00 C ATOM 1420 O GLY A 88 -10.797 -5.558 -0.890 1.00 0.00 O ATOM 0 H GLY A 88 -13.053 -5.441 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.355 -7.556 -0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.247 -7.490 -2.347 1.00 0.00 H new ATOM 1424 N LEU A 89 -11.442 -7.170 0.535 1.00 0.00 N ATOM 1425 CA LEU A 89 -10.391 -6.890 1.484 1.00 0.00 C ATOM 1426 C LEU A 89 -9.290 -7.898 1.299 1.00 0.00 C ATOM 1427 O LEU A 89 -9.320 -8.986 1.884 1.00 0.00 O ATOM 1428 CB LEU A 89 -10.897 -6.950 2.935 1.00 0.00 C ATOM 1429 CG LEU A 89 -12.012 -5.984 3.332 1.00 0.00 C ATOM 1430 CD1 LEU A 89 -12.385 -6.197 4.775 1.00 0.00 C ATOM 1431 CD2 LEU A 89 -11.591 -4.549 3.121 1.00 0.00 C ATOM 0 H LEU A 89 -12.079 -7.915 0.816 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.027 -5.879 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.246 -7.964 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.048 -6.774 3.595 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.876 -6.184 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.180 -5.505 5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.731 -7.221 4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.514 -6.019 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.405 -3.885 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.712 -4.334 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.352 -4.391 2.069 1.00 0.00 H new ATOM 1443 N ALA A 90 -8.351 -7.573 0.464 1.00 0.00 N ATOM 1444 CA ALA A 90 -7.274 -8.469 0.184 1.00 0.00 C ATOM 1445 C ALA A 90 -5.991 -7.720 0.007 1.00 0.00 C ATOM 1446 O ALA A 90 -5.975 -6.611 -0.527 1.00 0.00 O ATOM 1447 CB ALA A 90 -7.571 -9.296 -1.052 1.00 0.00 C ATOM 0 H ALA A 90 -8.310 -6.686 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.168 -9.141 1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.738 -9.971 -1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.479 -9.877 -0.891 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.710 -8.635 -1.907 1.00 0.00 H new ATOM 1453 N TYR A 91 -4.936 -8.321 0.455 1.00 0.00 N ATOM 1454 CA TYR A 91 -3.621 -7.786 0.330 1.00 0.00 C ATOM 1455 C TYR A 91 -3.128 -8.162 -1.027 1.00 0.00 C ATOM 1456 O TYR A 91 -3.146 -9.329 -1.396 1.00 0.00 O ATOM 1457 CB TYR A 91 -2.693 -8.373 1.395 1.00 0.00 C ATOM 1458 CG TYR A 91 -3.151 -8.138 2.810 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.811 -6.980 3.492 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -3.919 -9.081 3.464 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.234 -6.773 4.786 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -4.342 -8.884 4.750 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.002 -7.732 5.409 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.407 -7.548 6.706 1.00 0.00 O ATOM 0 H TYR A 91 -4.968 -9.223 0.931 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.636 -6.704 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.600 -9.446 1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -1.699 -7.944 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.207 -6.231 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.191 -9.991 2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.966 -5.866 5.308 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.942 -9.634 5.244 1.00 0.00 H new ATOM 0 HH TYR A 91 -4.708 -8.403 7.079 1.00 0.00 H new ATOM 1474 N ILE A 92 -2.722 -7.207 -1.767 1.00 0.00 N ATOM 1475 CA ILE A 92 -2.362 -7.438 -3.112 1.00 0.00 C ATOM 1476 C ILE A 92 -0.877 -7.548 -3.264 1.00 0.00 C ATOM 1477 O ILE A 92 -0.108 -6.645 -2.893 1.00 0.00 O ATOM 1478 CB ILE A 92 -2.975 -6.370 -4.036 1.00 0.00 C ATOM 1479 CG1 ILE A 92 -4.497 -6.457 -3.886 1.00 0.00 C ATOM 1480 CG2 ILE A 92 -2.554 -6.597 -5.496 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -5.274 -5.436 -4.649 1.00 0.00 C ATOM 0 H ILE A 92 -2.629 -6.239 -1.459 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.777 -8.398 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.620 -5.378 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.821 -7.448 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.747 -6.364 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.001 -5.829 -6.127 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.468 -6.544 -5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.894 -7.579 -5.824 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.340 -5.585 -4.475 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.988 -4.438 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -5.063 -5.539 -5.713 1.00 0.00 H new ATOM 1493 N TYR A 93 -0.477 -8.676 -3.742 1.00 0.00 N ATOM 1494 CA TYR A 93 0.886 -8.954 -3.984 1.00 0.00 C ATOM 1495 C TYR A 93 1.149 -8.782 -5.444 1.00 0.00 C ATOM 1496 O TYR A 93 0.531 -9.441 -6.287 1.00 0.00 O ATOM 1497 CB TYR A 93 1.248 -10.379 -3.527 1.00 0.00 C ATOM 1498 CG TYR A 93 1.161 -10.592 -2.024 1.00 0.00 C ATOM 1499 CD1 TYR A 93 -0.063 -10.641 -1.373 1.00 0.00 C ATOM 1500 CD2 TYR A 93 2.307 -10.744 -1.261 1.00 0.00 C ATOM 1501 CE1 TYR A 93 -0.139 -10.825 -0.014 1.00 0.00 C ATOM 1502 CE2 TYR A 93 2.234 -10.933 0.106 1.00 0.00 C ATOM 1503 CZ TYR A 93 1.006 -10.969 0.721 1.00 0.00 C ATOM 1504 OH TYR A 93 0.920 -11.169 2.079 1.00 0.00 O ATOM 0 H TYR A 93 -1.106 -9.443 -3.979 1.00 0.00 H new ATOM 0 HA TYR A 93 1.508 -8.265 -3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.584 -11.087 -4.022 1.00 0.00 H new ATOM 0 HB3 TYR A 93 2.261 -10.608 -3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.973 -10.533 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.273 -10.714 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.102 -10.856 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 93 3.137 -11.052 0.687 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.012 -11.346 2.325 1.00 0.00 H new ATOM 1514 N ALA A 94 2.057 -7.922 -5.738 1.00 0.00 N ATOM 1515 CA ALA A 94 2.428 -7.621 -7.065 1.00 0.00 C ATOM 1516 C ALA A 94 3.717 -8.309 -7.313 1.00 0.00 C ATOM 1517 O ALA A 94 4.735 -7.982 -6.703 1.00 0.00 O ATOM 1518 CB ALA A 94 2.592 -6.126 -7.231 1.00 0.00 C ATOM 0 H ALA A 94 2.576 -7.394 -5.036 1.00 0.00 H new ATOM 0 HA ALA A 94 1.667 -7.951 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.879 -5.903 -8.259 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.650 -5.629 -7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.366 -5.767 -6.553 1.00 0.00 H new ATOM 1524 N ASP A 95 3.630 -9.348 -8.112 1.00 0.00 N ATOM 1525 CA ASP A 95 4.754 -10.180 -8.522 1.00 0.00 C ATOM 1526 C ASP A 95 5.217 -11.000 -7.329 1.00 0.00 C ATOM 1527 O ASP A 95 6.313 -11.545 -7.292 1.00 0.00 O ATOM 1528 CB ASP A 95 5.891 -9.333 -9.106 1.00 0.00 C ATOM 1529 CG ASP A 95 6.688 -10.095 -10.106 1.00 0.00 C ATOM 1530 OD1 ASP A 95 6.170 -10.323 -11.229 1.00 0.00 O ATOM 1531 OD2 ASP A 95 7.826 -10.505 -9.820 1.00 0.00 O ATOM 0 H ASP A 95 2.743 -9.654 -8.513 1.00 0.00 H new ATOM 0 HA ASP A 95 4.436 -10.856 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 95 5.476 -8.441 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 95 6.544 -8.996 -8.301 1.00 0.00 H new ATOM 1536 N GLY A 96 4.311 -11.126 -6.374 1.00 0.00 N ATOM 1537 CA GLY A 96 4.576 -11.832 -5.152 1.00 0.00 C ATOM 1538 C GLY A 96 5.008 -10.903 -4.033 1.00 0.00 C ATOM 1539 O GLY A 96 5.117 -11.322 -2.885 1.00 0.00 O ATOM 0 H GLY A 96 3.370 -10.737 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.681 -12.374 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.355 -12.575 -5.326 1.00 0.00 H new ATOM 1543 N LYS A 97 5.237 -9.645 -4.361 1.00 0.00 N ATOM 1544 CA LYS A 97 5.637 -8.656 -3.376 1.00 0.00 C ATOM 1545 C LYS A 97 4.434 -7.865 -2.907 1.00 0.00 C ATOM 1546 O LYS A 97 3.711 -7.294 -3.720 1.00 0.00 O ATOM 1547 CB LYS A 97 6.690 -7.716 -3.947 1.00 0.00 C ATOM 1548 CG LYS A 97 8.026 -8.383 -4.236 1.00 0.00 C ATOM 1549 CD LYS A 97 8.990 -7.437 -4.939 1.00 0.00 C ATOM 1550 CE LYS A 97 9.251 -6.161 -4.138 1.00 0.00 C ATOM 1551 NZ LYS A 97 10.166 -5.249 -4.850 1.00 0.00 N ATOM 0 H LYS A 97 5.152 -9.281 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 97 6.070 -9.181 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.308 -7.277 -4.869 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.849 -6.897 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.470 -8.727 -3.302 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.865 -9.265 -4.856 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.935 -7.951 -5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.586 -7.172 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.306 -5.652 -3.946 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.677 -6.420 -3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.320 -4.395 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.076 -5.726 -5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.748 -4.982 -5.764 1.00 0.00 H new ATOM 1565 N MET A 98 4.215 -7.829 -1.609 1.00 0.00 N ATOM 1566 CA MET A 98 3.061 -7.129 -1.056 1.00 0.00 C ATOM 1567 C MET A 98 3.131 -5.628 -1.246 1.00 0.00 C ATOM 1568 O MET A 98 3.982 -4.938 -0.667 1.00 0.00 O ATOM 1569 CB MET A 98 2.760 -7.517 0.405 1.00 0.00 C ATOM 1570 CG MET A 98 3.937 -7.455 1.359 1.00 0.00 C ATOM 1571 SD MET A 98 3.479 -7.946 3.034 1.00 0.00 S ATOM 1572 CE MET A 98 5.093 -7.988 3.801 1.00 0.00 C ATOM 0 H MET A 98 4.815 -8.273 -0.914 1.00 0.00 H new ATOM 0 HA MET A 98 2.210 -7.473 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 98 1.976 -6.860 0.782 1.00 0.00 H new ATOM 0 HB3 MET A 98 2.360 -8.531 0.417 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.732 -8.106 0.996 1.00 0.00 H new ATOM 0 HG3 MET A 98 4.337 -6.441 1.375 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.004 -8.378 4.815 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.755 -8.632 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.506 -6.980 3.835 1.00 0.00 H new ATOM 1582 N VAL A 99 2.203 -5.128 -2.059 1.00 0.00 N ATOM 1583 CA VAL A 99 2.098 -3.706 -2.370 1.00 0.00 C ATOM 1584 C VAL A 99 1.719 -2.964 -1.109 1.00 0.00 C ATOM 1585 O VAL A 99 2.116 -1.839 -0.899 1.00 0.00 O ATOM 1586 CB VAL A 99 1.011 -3.440 -3.460 1.00 0.00 C ATOM 1587 CG1 VAL A 99 0.952 -1.974 -3.856 1.00 0.00 C ATOM 1588 CG2 VAL A 99 1.245 -4.295 -4.679 1.00 0.00 C ATOM 0 H VAL A 99 1.499 -5.702 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 99 3.058 -3.362 -2.754 1.00 0.00 H new ATOM 0 HB VAL A 99 0.050 -3.709 -3.021 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.183 -1.833 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.712 -1.370 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.918 -1.666 -4.256 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.474 -4.089 -5.421 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.224 -4.068 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.207 -5.347 -4.398 1.00 0.00 H new ATOM 1598 N ASN A 100 0.977 -3.653 -0.262 1.00 0.00 N ATOM 1599 CA ASN A 100 0.511 -3.127 1.016 1.00 0.00 C ATOM 1600 C ASN A 100 1.663 -2.618 1.845 1.00 0.00 C ATOM 1601 O ASN A 100 1.623 -1.481 2.325 1.00 0.00 O ATOM 1602 CB ASN A 100 -0.243 -4.202 1.787 1.00 0.00 C ATOM 1603 CG ASN A 100 -1.444 -4.697 1.033 1.00 0.00 C ATOM 1604 OD1 ASN A 100 -1.347 -5.616 0.243 1.00 0.00 O ATOM 1605 ND2 ASN A 100 -2.574 -4.097 1.261 1.00 0.00 N ATOM 0 H ASN A 100 0.674 -4.610 -0.442 1.00 0.00 H new ATOM 0 HA ASN A 100 -0.161 -2.294 0.810 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.426 -5.038 1.992 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.559 -3.803 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -3.417 -4.394 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -2.618 -3.329 1.931 1.00 0.00 H new ATOM 1612 N GLU A 101 2.707 -3.447 1.985 1.00 0.00 N ATOM 1613 CA GLU A 101 3.878 -3.041 2.722 1.00 0.00 C ATOM 1614 C GLU A 101 4.521 -1.896 2.009 1.00 0.00 C ATOM 1615 O GLU A 101 4.757 -0.860 2.600 1.00 0.00 O ATOM 1616 CB GLU A 101 4.910 -4.164 2.872 1.00 0.00 C ATOM 1617 CG GLU A 101 6.101 -3.701 3.715 1.00 0.00 C ATOM 1618 CD GLU A 101 7.251 -4.679 3.808 1.00 0.00 C ATOM 1619 OE1 GLU A 101 8.024 -4.806 2.845 1.00 0.00 O ATOM 1620 OE2 GLU A 101 7.445 -5.293 4.878 1.00 0.00 O ATOM 0 H GLU A 101 2.751 -4.389 1.597 1.00 0.00 H new ATOM 0 HA GLU A 101 3.550 -2.762 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.444 -5.032 3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.256 -4.479 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.475 -2.765 3.301 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.748 -3.485 4.723 1.00 0.00 H new ATOM 1627 N ALA A 102 4.736 -2.082 0.714 1.00 0.00 N ATOM 1628 CA ALA A 102 5.400 -1.108 -0.127 1.00 0.00 C ATOM 1629 C ALA A 102 4.776 0.281 -0.026 1.00 0.00 C ATOM 1630 O ALA A 102 5.485 1.238 0.110 1.00 0.00 O ATOM 1631 CB ALA A 102 5.460 -1.587 -1.570 1.00 0.00 C ATOM 0 H ALA A 102 4.449 -2.925 0.216 1.00 0.00 H new ATOM 0 HA ALA A 102 6.420 -1.013 0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.963 -0.838 -2.181 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.012 -2.526 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.448 -1.741 -1.945 1.00 0.00 H new ATOM 1637 N LEU A 103 3.455 0.369 -0.046 1.00 0.00 N ATOM 1638 CA LEU A 103 2.761 1.662 0.061 1.00 0.00 C ATOM 1639 C LEU A 103 3.124 2.384 1.346 1.00 0.00 C ATOM 1640 O LEU A 103 3.479 3.566 1.337 1.00 0.00 O ATOM 1641 CB LEU A 103 1.238 1.482 0.011 1.00 0.00 C ATOM 1642 CG LEU A 103 0.672 0.838 -1.243 1.00 0.00 C ATOM 1643 CD1 LEU A 103 -0.846 0.804 -1.195 1.00 0.00 C ATOM 1644 CD2 LEU A 103 1.167 1.554 -2.477 1.00 0.00 C ATOM 0 H LEU A 103 2.834 -0.435 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 103 3.085 2.260 -0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.937 0.880 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.775 2.461 0.130 1.00 0.00 H new ATOM 0 HG LEU A 103 1.024 -0.193 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.228 0.339 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.170 0.228 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.230 1.821 -1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.751 1.078 -3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.853 2.597 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.255 1.504 -2.515 1.00 0.00 H new ATOM 1656 N VAL A 104 3.026 1.689 2.442 1.00 0.00 N ATOM 1657 CA VAL A 104 3.310 2.276 3.723 1.00 0.00 C ATOM 1658 C VAL A 104 4.825 2.503 3.890 1.00 0.00 C ATOM 1659 O VAL A 104 5.258 3.557 4.318 1.00 0.00 O ATOM 1660 CB VAL A 104 2.739 1.422 4.878 1.00 0.00 C ATOM 1661 CG1 VAL A 104 2.887 2.138 6.195 1.00 0.00 C ATOM 1662 CG2 VAL A 104 1.281 1.108 4.631 1.00 0.00 C ATOM 0 H VAL A 104 2.750 0.708 2.476 1.00 0.00 H new ATOM 0 HA VAL A 104 2.814 3.246 3.765 1.00 0.00 H new ATOM 0 HB VAL A 104 3.303 0.490 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.479 1.519 6.994 1.00 0.00 H new ATOM 0 HG12 VAL A 104 3.942 2.330 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.347 3.084 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.894 0.506 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.715 2.037 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.181 0.554 3.698 1.00 0.00 H new ATOM 1672 N ARG A 105 5.605 1.531 3.455 1.00 0.00 N ATOM 1673 CA ARG A 105 7.067 1.531 3.575 1.00 0.00 C ATOM 1674 C ARG A 105 7.709 2.580 2.649 1.00 0.00 C ATOM 1675 O ARG A 105 8.815 3.069 2.909 1.00 0.00 O ATOM 1676 CB ARG A 105 7.578 0.117 3.248 1.00 0.00 C ATOM 1677 CG ARG A 105 9.068 -0.114 3.378 1.00 0.00 C ATOM 1678 CD ARG A 105 9.399 -1.561 3.048 1.00 0.00 C ATOM 1679 NE ARG A 105 10.830 -1.841 3.126 1.00 0.00 N ATOM 1680 CZ ARG A 105 11.376 -3.063 3.027 1.00 0.00 C ATOM 1681 NH1 ARG A 105 10.614 -4.156 2.902 1.00 0.00 N ATOM 1682 NH2 ARG A 105 12.683 -3.191 3.068 1.00 0.00 N ATOM 0 H ARG A 105 5.240 0.696 2.996 1.00 0.00 H new ATOM 0 HA ARG A 105 7.348 1.801 4.593 1.00 0.00 H new ATOM 0 HB2 ARG A 105 7.066 -0.589 3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.284 -0.123 2.226 1.00 0.00 H new ATOM 0 HG2 ARG A 105 9.608 0.554 2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 105 9.394 0.121 4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.866 -2.218 3.735 1.00 0.00 H new ATOM 0 HD3 ARG A 105 9.041 -1.792 2.045 1.00 0.00 H new ATOM 0 HE ARG A 105 11.460 -1.051 3.266 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.598 -4.070 2.880 1.00 0.00 H new ATOM 0 HH12 ARG A 105 11.049 -5.075 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.273 -2.366 3.174 1.00 0.00 H new ATOM 0 HH22 ARG A 105 13.107 -4.115 2.994 1.00 0.00 H new ATOM 1696 N GLN A 106 7.023 2.919 1.582 1.00 0.00 N ATOM 1697 CA GLN A 106 7.496 3.923 0.648 1.00 0.00 C ATOM 1698 C GLN A 106 6.972 5.298 1.067 1.00 0.00 C ATOM 1699 O GLN A 106 7.309 6.339 0.456 1.00 0.00 O ATOM 1700 CB GLN A 106 7.044 3.571 -0.781 1.00 0.00 C ATOM 1701 CG GLN A 106 7.623 4.441 -1.870 1.00 0.00 C ATOM 1702 CD GLN A 106 9.125 4.418 -1.858 1.00 0.00 C ATOM 1703 OE1 GLN A 106 9.709 5.324 -1.141 1.00 0.00 O flip ATOM 1704 NE2 GLN A 106 9.750 3.579 -2.486 1.00 0.00 N flip ATOM 0 H GLN A 106 6.122 2.509 1.334 1.00 0.00 H new ATOM 0 HA GLN A 106 8.586 3.948 0.660 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.312 2.534 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.957 3.634 -0.827 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.261 4.099 -2.840 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.273 5.465 -1.742 1.00 0.00 H new ATOM 0 HE21 GLN A 106 9.253 2.881 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 106 10.770 3.575 -2.457 1.00 0.00 H new ATOM 1713 N GLY A 107 6.167 5.298 2.111 1.00 0.00 N ATOM 1714 CA GLY A 107 5.626 6.511 2.630 1.00 0.00 C ATOM 1715 C GLY A 107 4.612 7.095 1.715 1.00 0.00 C ATOM 1716 O GLY A 107 4.784 8.201 1.232 1.00 0.00 O ATOM 0 H GLY A 107 5.879 4.457 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.172 6.320 3.602 1.00 0.00 H new ATOM 0 HA3 GLY A 107 6.430 7.230 2.789 1.00 0.00 H new ATOM 1720 N LEU A 108 3.608 6.334 1.413 1.00 0.00 N ATOM 1721 CA LEU A 108 2.514 6.791 0.577 1.00 0.00 C ATOM 1722 C LEU A 108 1.190 6.546 1.284 1.00 0.00 C ATOM 1723 O LEU A 108 0.237 7.304 1.135 1.00 0.00 O ATOM 1724 CB LEU A 108 2.547 6.034 -0.737 1.00 0.00 C ATOM 1725 CG LEU A 108 3.828 6.190 -1.547 1.00 0.00 C ATOM 1726 CD1 LEU A 108 3.933 5.087 -2.519 1.00 0.00 C ATOM 1727 CD2 LEU A 108 3.835 7.504 -2.294 1.00 0.00 C ATOM 0 H LEU A 108 3.512 5.371 1.735 1.00 0.00 H new ATOM 0 HA LEU A 108 2.618 7.859 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.394 4.975 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.707 6.364 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 108 4.674 6.169 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 108 4.849 5.199 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.953 4.135 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.074 5.110 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.759 7.593 -2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.984 7.541 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.767 8.327 -1.583 1.00 0.00 H new ATOM 1739 N ALA A 109 1.143 5.489 2.064 1.00 0.00 N ATOM 1740 CA ALA A 109 -0.045 5.138 2.789 1.00 0.00 C ATOM 1741 C ALA A 109 0.235 5.161 4.268 1.00 0.00 C ATOM 1742 O ALA A 109 1.385 5.025 4.691 1.00 0.00 O ATOM 1743 CB ALA A 109 -0.536 3.762 2.370 1.00 0.00 C ATOM 0 H ALA A 109 1.928 4.854 2.209 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.824 5.866 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -1.437 3.511 2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.760 3.765 1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.237 3.021 2.577 1.00 0.00 H new ATOM 1749 N LYS A 110 -0.801 5.361 5.038 1.00 0.00 N ATOM 1750 CA LYS A 110 -0.709 5.362 6.479 1.00 0.00 C ATOM 1751 C LYS A 110 -1.494 4.185 7.001 1.00 0.00 C ATOM 1752 O LYS A 110 -2.396 3.685 6.291 1.00 0.00 O ATOM 1753 CB LYS A 110 -1.325 6.639 7.060 1.00 0.00 C ATOM 1754 CG LYS A 110 -0.663 7.935 6.637 1.00 0.00 C ATOM 1755 CD LYS A 110 -1.311 9.117 7.339 1.00 0.00 C ATOM 1756 CE LYS A 110 -0.594 10.415 7.028 1.00 0.00 C ATOM 1757 NZ LYS A 110 -1.176 11.557 7.751 1.00 0.00 N ATOM 0 H LYS A 110 -1.742 5.530 4.683 1.00 0.00 H new ATOM 0 HA LYS A 110 0.340 5.306 6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.376 6.678 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -1.294 6.574 8.148 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.400 7.902 6.875 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.745 8.056 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.354 9.195 7.033 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.307 8.948 8.416 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.459 10.319 7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.638 10.605 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.655 12.424 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.174 11.666 7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.111 11.389 8.775 1.00 0.00 H new ATOM 1771 N VAL A 111 -1.183 3.748 8.208 1.00 0.00 N ATOM 1772 CA VAL A 111 -1.938 2.687 8.844 1.00 0.00 C ATOM 1773 C VAL A 111 -3.315 3.240 9.175 1.00 0.00 C ATOM 1774 O VAL A 111 -3.444 4.374 9.675 1.00 0.00 O ATOM 1775 CB VAL A 111 -1.238 2.162 10.135 1.00 0.00 C ATOM 1776 CG1 VAL A 111 -2.052 1.054 10.800 1.00 0.00 C ATOM 1777 CG2 VAL A 111 0.156 1.655 9.810 1.00 0.00 C ATOM 0 H VAL A 111 -0.412 4.113 8.767 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.010 1.837 8.165 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.164 2.995 10.834 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.535 0.711 11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.035 1.438 11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.167 0.221 10.107 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.633 1.292 10.721 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.088 0.842 9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.749 2.467 9.389 1.00 0.00 H new ATOM 1787 N ALA A 112 -4.321 2.497 8.874 1.00 0.00 N ATOM 1788 CA ALA A 112 -5.660 2.968 9.022 1.00 0.00 C ATOM 1789 C ALA A 112 -6.408 2.274 10.139 1.00 0.00 C ATOM 1790 O ALA A 112 -5.831 1.520 10.922 1.00 0.00 O ATOM 1791 CB ALA A 112 -6.402 2.808 7.713 1.00 0.00 C ATOM 0 H ALA A 112 -4.243 1.544 8.518 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.605 4.022 9.294 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.424 3.168 7.828 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.899 3.385 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -6.418 1.755 7.430 1.00 0.00 H new ATOM 1797 N TYR A 113 -7.680 2.595 10.206 1.00 0.00 N ATOM 1798 CA TYR A 113 -8.646 2.046 11.136 1.00 0.00 C ATOM 1799 C TYR A 113 -8.731 0.516 11.059 1.00 0.00 C ATOM 1800 O TYR A 113 -9.366 -0.063 10.177 1.00 0.00 O ATOM 1801 CB TYR A 113 -10.024 2.719 10.902 1.00 0.00 C ATOM 1802 CG TYR A 113 -10.268 3.120 9.442 1.00 0.00 C ATOM 1803 CD1 TYR A 113 -10.669 2.199 8.484 1.00 0.00 C ATOM 1804 CD2 TYR A 113 -10.049 4.431 9.032 1.00 0.00 C ATOM 1805 CE1 TYR A 113 -10.838 2.574 7.162 1.00 0.00 C ATOM 1806 CE2 TYR A 113 -10.224 4.811 7.722 1.00 0.00 C ATOM 1807 CZ TYR A 113 -10.613 3.882 6.790 1.00 0.00 C ATOM 1808 OH TYR A 113 -10.764 4.263 5.470 1.00 0.00 O ATOM 0 H TYR A 113 -8.093 3.285 9.579 1.00 0.00 H new ATOM 0 HA TYR A 113 -8.313 2.268 12.150 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -10.812 2.036 11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -10.098 3.606 11.531 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -10.852 1.175 8.774 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -9.735 5.166 9.758 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -11.145 1.845 6.426 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -10.056 5.837 7.428 1.00 0.00 H new ATOM 0 HH TYR A 113 -10.000 4.813 5.199 1.00 0.00 H new ATOM 1818 N VAL A 114 -8.067 -0.114 11.987 1.00 0.00 N ATOM 1819 CA VAL A 114 -8.005 -1.548 12.054 1.00 0.00 C ATOM 1820 C VAL A 114 -9.250 -2.095 12.719 1.00 0.00 C ATOM 1821 O VAL A 114 -9.559 -1.734 13.866 1.00 0.00 O ATOM 1822 CB VAL A 114 -6.768 -2.012 12.863 1.00 0.00 C ATOM 1823 CG1 VAL A 114 -6.676 -3.528 12.912 1.00 0.00 C ATOM 1824 CG2 VAL A 114 -5.495 -1.422 12.292 1.00 0.00 C ATOM 0 H VAL A 114 -7.548 0.359 12.727 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.930 -1.924 11.034 1.00 0.00 H new ATOM 0 HB VAL A 114 -6.889 -1.649 13.884 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -5.797 -3.821 13.487 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -7.571 -3.932 13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -6.594 -3.920 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -4.641 -1.763 12.878 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -5.377 -1.744 11.257 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -5.549 -0.334 12.330 1.00 0.00 H new ATOM 1834 N TYR A 115 -9.971 -2.918 12.011 1.00 0.00 N ATOM 1835 CA TYR A 115 -11.110 -3.595 12.570 1.00 0.00 C ATOM 1836 C TYR A 115 -10.844 -5.079 12.497 1.00 0.00 C ATOM 1837 O TYR A 115 -10.744 -5.654 11.411 1.00 0.00 O ATOM 1838 CB TYR A 115 -12.424 -3.243 11.847 1.00 0.00 C ATOM 1839 CG TYR A 115 -12.741 -1.759 11.805 1.00 0.00 C ATOM 1840 CD1 TYR A 115 -12.862 -1.011 12.972 1.00 0.00 C ATOM 1841 CD2 TYR A 115 -12.896 -1.106 10.597 1.00 0.00 C ATOM 1842 CE1 TYR A 115 -13.133 0.344 12.924 1.00 0.00 C ATOM 1843 CE2 TYR A 115 -13.163 0.245 10.539 1.00 0.00 C ATOM 1844 CZ TYR A 115 -13.282 0.966 11.702 1.00 0.00 C ATOM 1845 OH TYR A 115 -13.543 2.323 11.644 1.00 0.00 O ATOM 0 H TYR A 115 -9.788 -3.139 11.032 1.00 0.00 H new ATOM 0 HA TYR A 115 -11.241 -3.272 13.603 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -12.374 -3.620 10.826 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -13.246 -3.763 12.339 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -12.742 -1.496 13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -12.806 -1.667 9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -13.227 0.912 13.838 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -13.278 0.735 9.583 1.00 0.00 H new ATOM 0 HH TYR A 115 -13.618 2.602 10.708 1.00 0.00 H new ATOM 1855 N LYS A 116 -10.680 -5.680 13.642 1.00 0.00 N ATOM 1856 CA LYS A 116 -10.371 -7.087 13.741 1.00 0.00 C ATOM 1857 C LYS A 116 -11.594 -7.914 13.348 1.00 0.00 C ATOM 1858 O LYS A 116 -12.719 -7.429 13.477 1.00 0.00 O ATOM 1859 CB LYS A 116 -9.911 -7.384 15.168 1.00 0.00 C ATOM 1860 CG LYS A 116 -8.660 -6.612 15.510 1.00 0.00 C ATOM 1861 CD LYS A 116 -8.282 -6.698 16.974 1.00 0.00 C ATOM 1862 CE LYS A 116 -7.037 -5.870 17.233 1.00 0.00 C ATOM 1863 NZ LYS A 116 -6.606 -5.885 18.648 1.00 0.00 N ATOM 0 H LYS A 116 -10.757 -5.207 14.543 1.00 0.00 H new ATOM 0 HA LYS A 116 -9.567 -7.356 13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.704 -7.126 15.870 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.724 -8.452 15.278 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.834 -6.987 14.906 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.802 -5.566 15.240 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.104 -6.339 17.593 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.104 -7.737 17.253 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.225 -6.244 16.609 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.225 -4.840 16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.752 -5.301 18.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.366 -5.502 19.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -6.397 -6.862 18.937 1.00 0.00 H new ATOM 1877 N PRO A 117 -11.434 -9.171 12.890 1.00 0.00 N ATOM 1878 CA PRO A 117 -10.150 -9.875 12.775 1.00 0.00 C ATOM 1879 C PRO A 117 -9.326 -9.568 11.504 1.00 0.00 C ATOM 1880 O PRO A 117 -8.405 -10.316 11.183 1.00 0.00 O ATOM 1881 CB PRO A 117 -10.545 -11.361 12.810 1.00 0.00 C ATOM 1882 CG PRO A 117 -12.037 -11.411 12.625 1.00 0.00 C ATOM 1883 CD PRO A 117 -12.529 -10.006 12.412 1.00 0.00 C ATOM 0 HA PRO A 117 -9.485 -9.554 13.577 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.037 -11.916 12.021 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -10.256 -11.817 13.757 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -12.294 -12.038 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.514 -11.853 13.500 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.747 -9.815 11.361 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.447 -9.816 12.968 1.00 0.00 H new ATOM 1891 N ASN A 118 -9.639 -8.497 10.792 1.00 0.00 N ATOM 1892 CA ASN A 118 -8.859 -8.140 9.598 1.00 0.00 C ATOM 1893 C ASN A 118 -7.648 -7.357 10.021 1.00 0.00 C ATOM 1894 O ASN A 118 -7.661 -6.124 10.022 1.00 0.00 O ATOM 1895 CB ASN A 118 -9.673 -7.314 8.593 1.00 0.00 C ATOM 1896 CG ASN A 118 -10.821 -8.069 7.982 1.00 0.00 C ATOM 1897 OD1 ASN A 118 -11.914 -8.109 8.537 1.00 0.00 O ATOM 1898 ND2 ASN A 118 -10.599 -8.655 6.827 1.00 0.00 N ATOM 0 H ASN A 118 -10.410 -7.865 11.007 1.00 0.00 H new ATOM 0 HA ASN A 118 -8.570 -9.066 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -10.059 -6.426 9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -9.011 -6.970 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -11.350 -9.165 6.361 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -9.676 -8.600 6.396 1.00 0.00 H new ATOM 1905 N ASN A 119 -6.634 -8.058 10.462 1.00 0.00 N ATOM 1906 CA ASN A 119 -5.455 -7.400 10.991 1.00 0.00 C ATOM 1907 C ASN A 119 -4.237 -8.302 10.991 1.00 0.00 C ATOM 1908 O ASN A 119 -3.270 -8.048 11.723 1.00 0.00 O ATOM 1909 CB ASN A 119 -5.709 -6.912 12.434 1.00 0.00 C ATOM 1910 CG ASN A 119 -5.939 -8.029 13.460 1.00 0.00 C ATOM 1911 OD1 ASN A 119 -6.500 -9.080 13.168 1.00 0.00 O ATOM 1912 ND2 ASN A 119 -5.466 -7.821 14.653 1.00 0.00 N ATOM 0 H ASN A 119 -6.596 -9.077 10.468 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.254 -6.554 10.334 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -4.857 -6.313 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.578 -6.255 12.432 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -5.557 -8.540 15.370 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -5.003 -6.939 14.872 1.00 0.00 H new ATOM 1919 N THR A 120 -4.208 -9.300 10.154 1.00 0.00 N ATOM 1920 CA THR A 120 -3.114 -10.239 10.193 1.00 0.00 C ATOM 1921 C THR A 120 -1.799 -9.618 9.633 1.00 0.00 C ATOM 1922 O THR A 120 -0.693 -10.117 9.884 1.00 0.00 O ATOM 1923 CB THR A 120 -3.502 -11.561 9.504 1.00 0.00 C ATOM 1924 OG1 THR A 120 -4.791 -11.964 10.023 1.00 0.00 O ATOM 1925 CG2 THR A 120 -2.492 -12.656 9.832 1.00 0.00 C ATOM 0 H THR A 120 -4.917 -9.487 9.444 1.00 0.00 H new ATOM 0 HA THR A 120 -2.906 -10.478 11.236 1.00 0.00 H new ATOM 0 HB THR A 120 -3.526 -11.415 8.424 1.00 0.00 H new ATOM 0 HG1 THR A 120 -5.476 -11.328 9.728 1.00 0.00 H new ATOM 0 HG21 THR A 120 -2.784 -13.581 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 120 -1.503 -12.355 9.485 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.465 -12.815 10.910 1.00 0.00 H new ATOM 1933 N HIS A 121 -1.917 -8.505 8.914 1.00 0.00 N ATOM 1934 CA HIS A 121 -0.731 -7.793 8.440 1.00 0.00 C ATOM 1935 C HIS A 121 -0.625 -6.397 9.039 1.00 0.00 C ATOM 1936 O HIS A 121 0.220 -5.615 8.610 1.00 0.00 O ATOM 1937 CB HIS A 121 -0.656 -7.685 6.908 1.00 0.00 C ATOM 1938 CG HIS A 121 -0.326 -8.950 6.177 1.00 0.00 C ATOM 1939 ND1 HIS A 121 0.944 -9.272 5.765 1.00 0.00 N ATOM 1940 CD2 HIS A 121 -1.119 -9.939 5.725 1.00 0.00 C ATOM 1941 CE1 HIS A 121 0.909 -10.393 5.091 1.00 0.00 C ATOM 1942 NE2 HIS A 121 -0.332 -10.818 5.053 1.00 0.00 N ATOM 0 H HIS A 121 -2.806 -8.081 8.649 1.00 0.00 H new ATOM 0 HA HIS A 121 0.109 -8.400 8.778 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.614 -7.316 6.542 1.00 0.00 H new ATOM 0 HB3 HIS A 121 0.093 -6.935 6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -2.186 -10.019 5.870 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.759 -10.886 4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -0.653 -11.670 4.593 1.00 0.00 H new ATOM 1951 N GLU A 122 -1.443 -6.089 10.059 1.00 0.00 N ATOM 1952 CA GLU A 122 -1.460 -4.747 10.625 1.00 0.00 C ATOM 1953 C GLU A 122 -0.078 -4.362 11.226 1.00 0.00 C ATOM 1954 O GLU A 122 0.425 -3.262 11.009 1.00 0.00 O ATOM 1955 CB GLU A 122 -2.547 -4.606 11.709 1.00 0.00 C ATOM 1956 CG GLU A 122 -2.254 -5.332 13.022 1.00 0.00 C ATOM 1957 CD GLU A 122 -3.144 -4.894 14.149 1.00 0.00 C ATOM 1958 OE1 GLU A 122 -3.171 -3.696 14.459 1.00 0.00 O ATOM 1959 OE2 GLU A 122 -3.816 -5.744 14.762 1.00 0.00 O ATOM 0 H GLU A 122 -2.089 -6.746 10.497 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.688 -4.066 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.690 -3.547 11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.489 -4.980 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.371 -6.405 12.871 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -1.214 -5.161 13.301 1.00 0.00 H new ATOM 1966 N GLN A 123 0.544 -5.318 11.927 1.00 0.00 N ATOM 1967 CA GLN A 123 1.798 -5.095 12.637 1.00 0.00 C ATOM 1968 C GLN A 123 2.962 -4.885 11.684 1.00 0.00 C ATOM 1969 O GLN A 123 3.922 -4.162 11.994 1.00 0.00 O ATOM 1970 CB GLN A 123 2.059 -6.222 13.625 1.00 0.00 C ATOM 1971 CG GLN A 123 2.101 -7.573 12.989 1.00 0.00 C ATOM 1972 CD GLN A 123 2.315 -8.687 13.960 1.00 0.00 C ATOM 1973 OE1 GLN A 123 1.894 -8.638 15.119 1.00 0.00 O ATOM 1974 NE2 GLN A 123 3.000 -9.666 13.511 1.00 0.00 N ATOM 0 H GLN A 123 0.186 -6.269 12.015 1.00 0.00 H new ATOM 0 HA GLN A 123 1.703 -4.170 13.206 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.006 -6.038 14.132 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.281 -6.213 14.389 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.166 -7.743 12.455 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.899 -7.591 12.247 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.326 -9.660 12.544 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.222 -10.455 14.119 1.00 0.00 H new ATOM 1983 N LEU A 124 2.848 -5.487 10.526 1.00 0.00 N ATOM 1984 CA LEU A 124 3.805 -5.345 9.457 1.00 0.00 C ATOM 1985 C LEU A 124 3.768 -3.901 8.969 1.00 0.00 C ATOM 1986 O LEU A 124 4.797 -3.232 8.820 1.00 0.00 O ATOM 1987 CB LEU A 124 3.403 -6.341 8.331 1.00 0.00 C ATOM 1988 CG LEU A 124 4.252 -6.443 7.049 1.00 0.00 C ATOM 1989 CD1 LEU A 124 4.148 -5.221 6.170 1.00 0.00 C ATOM 1990 CD2 LEU A 124 5.691 -6.770 7.373 1.00 0.00 C ATOM 0 H LEU A 124 2.069 -6.104 10.295 1.00 0.00 H new ATOM 0 HA LEU A 124 4.821 -5.569 9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.368 -7.335 8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.386 -6.092 8.027 1.00 0.00 H new ATOM 0 HG LEU A 124 3.836 -7.267 6.469 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.769 -5.356 5.284 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.111 -5.078 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 124 4.489 -4.345 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 124 6.266 -6.836 6.449 1.00 0.00 H new ATOM 0 HD22 LEU A 124 6.109 -5.987 8.006 1.00 0.00 H new ATOM 0 HD23 LEU A 124 5.738 -7.724 7.898 1.00 0.00 H new ATOM 2002 N LEU A 125 2.582 -3.431 8.735 1.00 0.00 N ATOM 2003 CA LEU A 125 2.361 -2.096 8.233 1.00 0.00 C ATOM 2004 C LEU A 125 2.791 -1.038 9.244 1.00 0.00 C ATOM 2005 O LEU A 125 3.277 0.019 8.864 1.00 0.00 O ATOM 2006 CB LEU A 125 0.910 -1.946 7.821 1.00 0.00 C ATOM 2007 CG LEU A 125 0.470 -2.912 6.717 1.00 0.00 C ATOM 2008 CD1 LEU A 125 -1.016 -2.844 6.505 1.00 0.00 C ATOM 2009 CD2 LEU A 125 1.201 -2.614 5.422 1.00 0.00 C ATOM 0 H LEU A 125 1.726 -3.964 8.887 1.00 0.00 H new ATOM 0 HA LEU A 125 2.983 -1.938 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.278 -2.099 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.744 -0.924 7.482 1.00 0.00 H new ATOM 0 HG LEU A 125 0.725 -3.923 7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -1.303 -3.539 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.528 -3.112 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.296 -1.831 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.874 -3.311 4.651 1.00 0.00 H new ATOM 0 HD22 LEU A 125 0.981 -1.594 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.275 -2.722 5.577 1.00 0.00 H new ATOM 2021 N ARG A 126 2.665 -1.354 10.525 1.00 0.00 N ATOM 2022 CA ARG A 126 3.099 -0.446 11.589 1.00 0.00 C ATOM 2023 C ARG A 126 4.591 -0.132 11.488 1.00 0.00 C ATOM 2024 O ARG A 126 4.996 1.030 11.589 1.00 0.00 O ATOM 2025 CB ARG A 126 2.815 -1.019 12.961 1.00 0.00 C ATOM 2026 CG ARG A 126 1.369 -1.239 13.277 1.00 0.00 C ATOM 2027 CD ARG A 126 1.268 -1.860 14.632 1.00 0.00 C ATOM 2028 NE ARG A 126 -0.105 -2.169 15.021 1.00 0.00 N ATOM 2029 CZ ARG A 126 -0.527 -2.323 16.278 1.00 0.00 C ATOM 2030 NH1 ARG A 126 0.268 -2.003 17.286 1.00 0.00 N ATOM 2031 NH2 ARG A 126 -1.750 -2.759 16.523 1.00 0.00 N ATOM 0 H ARG A 126 2.266 -2.232 10.858 1.00 0.00 H new ATOM 0 HA ARG A 126 2.528 0.473 11.457 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.339 -1.970 13.055 1.00 0.00 H new ATOM 0 HB3 ARG A 126 3.235 -0.349 13.710 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.828 -0.293 13.253 1.00 0.00 H new ATOM 0 HG3 ARG A 126 0.912 -1.887 12.529 1.00 0.00 H new ATOM 0 HD2 ARG A 126 1.859 -2.776 14.650 1.00 0.00 H new ATOM 0 HD3 ARG A 126 1.704 -1.184 15.368 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.794 -2.275 14.276 1.00 0.00 H new ATOM 0 HH11 ARG A 126 1.203 -1.639 17.102 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -0.054 -2.120 18.247 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.377 -2.980 15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.067 -2.875 17.486 1.00 0.00 H new ATOM 2045 N LYS A 127 5.408 -1.171 11.258 1.00 0.00 N ATOM 2046 CA LYS A 127 6.867 -0.979 11.164 1.00 0.00 C ATOM 2047 C LYS A 127 7.178 -0.175 9.913 1.00 0.00 C ATOM 2048 O LYS A 127 8.079 0.650 9.891 1.00 0.00 O ATOM 2049 CB LYS A 127 7.658 -2.354 11.200 1.00 0.00 C ATOM 2050 CG LYS A 127 7.627 -3.231 9.916 1.00 0.00 C ATOM 2051 CD LYS A 127 8.651 -2.768 8.859 1.00 0.00 C ATOM 2052 CE LYS A 127 8.365 -3.338 7.466 1.00 0.00 C ATOM 2053 NZ LYS A 127 8.424 -4.803 7.400 1.00 0.00 N ATOM 0 H LYS A 127 5.094 -2.134 11.136 1.00 0.00 H new ATOM 0 HA LYS A 127 7.207 -0.424 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 127 8.700 -2.137 11.435 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.263 -2.949 12.024 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.830 -4.268 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.626 -3.203 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 127 8.647 -1.679 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.651 -3.069 9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.377 -3.009 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.084 -2.923 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 7.837 -5.139 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.408 -5.105 7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 8.068 -5.205 8.291 1.00 0.00 H new ATOM 2067 N SER A 128 6.380 -0.412 8.894 1.00 0.00 N ATOM 2068 CA SER A 128 6.519 0.233 7.625 1.00 0.00 C ATOM 2069 C SER A 128 6.254 1.734 7.761 1.00 0.00 C ATOM 2070 O SER A 128 7.002 2.555 7.221 1.00 0.00 O ATOM 2071 CB SER A 128 5.549 -0.421 6.646 1.00 0.00 C ATOM 2072 OG SER A 128 5.775 -1.828 6.585 1.00 0.00 O ATOM 0 H SER A 128 5.604 -1.073 8.935 1.00 0.00 H new ATOM 0 HA SER A 128 7.536 0.119 7.250 1.00 0.00 H new ATOM 0 HB2 SER A 128 4.523 -0.225 6.956 1.00 0.00 H new ATOM 0 HB3 SER A 128 5.672 0.017 5.655 1.00 0.00 H new ATOM 0 HG SER A 128 5.371 -2.258 7.367 1.00 0.00 H new ATOM 2078 N GLU A 129 5.225 2.074 8.530 1.00 0.00 N ATOM 2079 CA GLU A 129 4.852 3.451 8.763 1.00 0.00 C ATOM 2080 C GLU A 129 5.923 4.156 9.562 1.00 0.00 C ATOM 2081 O GLU A 129 6.368 5.231 9.192 1.00 0.00 O ATOM 2082 CB GLU A 129 3.513 3.539 9.491 1.00 0.00 C ATOM 2083 CG GLU A 129 3.050 4.960 9.679 1.00 0.00 C ATOM 2084 CD GLU A 129 1.735 5.083 10.400 1.00 0.00 C ATOM 2085 OE1 GLU A 129 0.680 5.090 9.742 1.00 0.00 O ATOM 2086 OE2 GLU A 129 1.736 5.207 11.646 1.00 0.00 O ATOM 0 H GLU A 129 4.630 1.396 9.007 1.00 0.00 H new ATOM 0 HA GLU A 129 4.749 3.942 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 129 2.760 2.987 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 129 3.600 3.057 10.465 1.00 0.00 H new ATOM 0 HG2 GLU A 129 3.810 5.509 10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 129 2.963 5.436 8.702 1.00 0.00 H new ATOM 2093 N ALA A 130 6.335 3.525 10.646 1.00 0.00 N ATOM 2094 CA ALA A 130 7.381 4.059 11.533 1.00 0.00 C ATOM 2095 C ALA A 130 8.658 4.360 10.743 1.00 0.00 C ATOM 2096 O ALA A 130 9.252 5.439 10.870 1.00 0.00 O ATOM 2097 CB ALA A 130 7.667 3.074 12.656 1.00 0.00 C ATOM 0 H ALA A 130 5.960 2.625 10.947 1.00 0.00 H new ATOM 0 HA ALA A 130 7.024 4.992 11.969 1.00 0.00 H new ATOM 0 HB1 ALA A 130 8.442 3.479 13.306 1.00 0.00 H new ATOM 0 HB2 ALA A 130 6.758 2.908 13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 130 8.006 2.128 12.233 1.00 0.00 H new ATOM 2103 N GLN A 131 9.034 3.412 9.909 1.00 0.00 N ATOM 2104 CA GLN A 131 10.179 3.522 9.023 1.00 0.00 C ATOM 2105 C GLN A 131 10.006 4.715 8.099 1.00 0.00 C ATOM 2106 O GLN A 131 10.901 5.542 7.935 1.00 0.00 O ATOM 2107 CB GLN A 131 10.243 2.257 8.183 1.00 0.00 C ATOM 2108 CG GLN A 131 11.423 2.170 7.226 1.00 0.00 C ATOM 2109 CD GLN A 131 10.996 2.129 5.762 1.00 0.00 C ATOM 2110 OE1 GLN A 131 9.899 2.761 5.433 1.00 0.00 O flip ATOM 2111 NE2 GLN A 131 11.660 1.526 4.934 1.00 0.00 N flip ATOM 0 H GLN A 131 8.542 2.523 9.825 1.00 0.00 H new ATOM 0 HA GLN A 131 11.090 3.652 9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 131 10.275 1.397 8.852 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.322 2.177 7.606 1.00 0.00 H new ATOM 0 HG2 GLN A 131 12.077 3.027 7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 131 12.005 1.277 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 131 12.512 1.042 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.363 1.507 3.958 1.00 0.00 H new ATOM 2120 N ALA A 132 8.841 4.789 7.515 1.00 0.00 N ATOM 2121 CA ALA A 132 8.524 5.825 6.560 1.00 0.00 C ATOM 2122 C ALA A 132 8.517 7.216 7.197 1.00 0.00 C ATOM 2123 O ALA A 132 8.952 8.197 6.573 1.00 0.00 O ATOM 2124 CB ALA A 132 7.213 5.530 5.876 1.00 0.00 C ATOM 0 H ALA A 132 8.080 4.132 7.686 1.00 0.00 H new ATOM 0 HA ALA A 132 9.313 5.830 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.990 6.321 5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 132 7.282 4.576 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 132 6.418 5.479 6.620 1.00 0.00 H new ATOM 2130 N LYS A 133 8.034 7.287 8.430 1.00 0.00 N ATOM 2131 CA LYS A 133 7.980 8.513 9.191 1.00 0.00 C ATOM 2132 C LYS A 133 9.369 9.043 9.489 1.00 0.00 C ATOM 2133 O LYS A 133 9.666 10.211 9.229 1.00 0.00 O ATOM 2134 CB LYS A 133 7.256 8.296 10.520 1.00 0.00 C ATOM 2135 CG LYS A 133 5.758 8.086 10.451 1.00 0.00 C ATOM 2136 CD LYS A 133 5.184 8.003 11.859 1.00 0.00 C ATOM 2137 CE LYS A 133 3.672 7.884 11.870 1.00 0.00 C ATOM 2138 NZ LYS A 133 3.131 7.886 13.245 1.00 0.00 N ATOM 0 H LYS A 133 7.665 6.479 8.931 1.00 0.00 H new ATOM 0 HA LYS A 133 7.438 9.237 8.583 1.00 0.00 H new ATOM 0 HB2 LYS A 133 7.699 7.430 11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 133 7.450 9.158 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 133 5.291 8.906 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 133 5.535 7.171 9.903 1.00 0.00 H new ATOM 0 HD2 LYS A 133 5.615 7.144 12.372 1.00 0.00 H new ATOM 0 HD3 LYS A 133 5.478 8.890 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 133 3.238 8.711 11.308 1.00 0.00 H new ATOM 0 HE3 LYS A 133 3.376 6.965 11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 2.095 7.803 13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 3.525 7.082 13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 3.392 8.774 13.719 1.00 0.00 H new ATOM 2152 N LYS A 134 10.224 8.173 10.007 1.00 0.00 N ATOM 2153 CA LYS A 134 11.553 8.576 10.447 1.00 0.00 C ATOM 2154 C LYS A 134 12.446 9.012 9.288 1.00 0.00 C ATOM 2155 O LYS A 134 13.301 9.886 9.458 1.00 0.00 O ATOM 2156 CB LYS A 134 12.244 7.477 11.285 1.00 0.00 C ATOM 2157 CG LYS A 134 12.548 6.183 10.534 1.00 0.00 C ATOM 2158 CD LYS A 134 13.300 5.169 11.392 1.00 0.00 C ATOM 2159 CE LYS A 134 14.664 5.699 11.826 1.00 0.00 C ATOM 2160 NZ LYS A 134 15.446 4.700 12.583 1.00 0.00 N ATOM 0 H LYS A 134 10.021 7.181 10.133 1.00 0.00 H new ATOM 0 HA LYS A 134 11.405 9.445 11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 134 13.178 7.877 11.680 1.00 0.00 H new ATOM 0 HB3 LYS A 134 11.610 7.242 12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.614 5.740 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 134 13.139 6.412 9.647 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.706 4.927 12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.431 4.243 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 134 15.228 6.005 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.525 6.588 12.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 16.363 5.110 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.923 4.426 13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 15.604 3.860 11.990 1.00 0.00 H new ATOM 2174 N GLU A 135 12.238 8.425 8.111 1.00 0.00 N ATOM 2175 CA GLU A 135 13.066 8.744 6.958 1.00 0.00 C ATOM 2176 C GLU A 135 12.422 9.853 6.107 1.00 0.00 C ATOM 2177 O GLU A 135 13.003 10.305 5.112 1.00 0.00 O ATOM 2178 CB GLU A 135 13.336 7.488 6.109 1.00 0.00 C ATOM 2179 CG GLU A 135 13.956 6.325 6.876 1.00 0.00 C ATOM 2180 CD GLU A 135 14.352 5.140 5.998 1.00 0.00 C ATOM 2181 OE1 GLU A 135 14.218 5.210 4.745 1.00 0.00 O ATOM 2182 OE2 GLU A 135 14.859 4.113 6.549 1.00 0.00 O ATOM 0 H GLU A 135 11.510 7.733 7.935 1.00 0.00 H new ATOM 0 HA GLU A 135 14.023 9.114 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.397 7.155 5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 135 13.998 7.757 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.839 6.683 7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.248 5.983 7.631 1.00 0.00 H new ATOM 2189 N LYS A 136 11.216 10.285 6.522 1.00 0.00 N ATOM 2190 CA LYS A 136 10.448 11.364 5.861 1.00 0.00 C ATOM 2191 C LYS A 136 10.144 11.018 4.398 1.00 0.00 C ATOM 2192 O LYS A 136 10.455 11.799 3.499 1.00 0.00 O ATOM 2193 CB LYS A 136 11.178 12.731 5.950 1.00 0.00 C ATOM 2194 CG LYS A 136 11.673 13.082 7.360 1.00 0.00 C ATOM 2195 CD LYS A 136 12.664 14.275 7.409 1.00 0.00 C ATOM 2196 CE LYS A 136 12.045 15.658 7.107 1.00 0.00 C ATOM 2197 NZ LYS A 136 11.614 15.829 5.701 1.00 0.00 N ATOM 0 H LYS A 136 10.740 9.892 7.334 1.00 0.00 H new ATOM 0 HA LYS A 136 9.504 11.452 6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 136 12.029 12.722 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 136 10.503 13.515 5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 136 10.812 13.313 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 136 12.156 12.205 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 136 13.120 14.307 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 136 13.466 14.090 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 136 11.187 15.811 7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.773 16.432 7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.836 16.795 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 12.114 15.144 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.589 15.669 5.630 1.00 0.00 H new ATOM 2211 N LEU A 137 9.587 9.834 4.162 1.00 0.00 N ATOM 2212 CA LEU A 137 9.214 9.399 2.791 1.00 0.00 C ATOM 2213 C LEU A 137 8.071 10.249 2.225 1.00 0.00 C ATOM 2214 O LEU A 137 7.484 10.977 2.946 1.00 0.00 O ATOM 2215 CB LEU A 137 8.853 7.910 2.735 1.00 0.00 C ATOM 2216 CG LEU A 137 10.000 6.886 2.650 1.00 0.00 C ATOM 2217 CD1 LEU A 137 10.817 7.097 1.391 1.00 0.00 C ATOM 2218 CD2 LEU A 137 10.890 6.949 3.855 1.00 0.00 C ATOM 0 H LEU A 137 9.379 9.150 4.890 1.00 0.00 H new ATOM 0 HA LEU A 137 10.095 9.549 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 137 8.263 7.677 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 137 8.205 7.757 1.872 1.00 0.00 H new ATOM 0 HG LEU A 137 9.546 5.896 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 137 11.622 6.363 1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 137 10.176 6.980 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 137 11.242 8.101 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 137 11.687 6.212 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 137 11.325 7.945 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 137 10.306 6.736 4.750 1.00 0.00 H new ATOM 2230 N ASN A 138 7.727 10.038 0.945 1.00 0.00 N ATOM 2231 CA ASN A 138 6.789 10.904 0.124 1.00 0.00 C ATOM 2232 C ASN A 138 5.661 11.626 0.907 1.00 0.00 C ATOM 2233 O ASN A 138 5.589 12.856 0.901 1.00 0.00 O ATOM 2234 CB ASN A 138 6.145 10.098 -1.024 1.00 0.00 C ATOM 2235 CG ASN A 138 7.137 9.477 -1.991 1.00 0.00 C ATOM 2236 OD1 ASN A 138 7.553 10.095 -2.972 1.00 0.00 O ATOM 2237 ND2 ASN A 138 7.499 8.233 -1.761 1.00 0.00 N ATOM 0 H ASN A 138 8.089 9.246 0.415 1.00 0.00 H new ATOM 0 HA ASN A 138 7.446 11.688 -0.253 1.00 0.00 H new ATOM 0 HB2 ASN A 138 5.531 9.306 -0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 138 5.476 10.754 -1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 138 8.137 7.761 -2.402 1.00 0.00 H new ATOM 0 HD22 ASN A 138 7.142 7.741 -0.942 1.00 0.00 H new ATOM 2244 N ILE A 139 4.787 10.883 1.578 1.00 0.00 N ATOM 2245 CA ILE A 139 3.704 11.529 2.340 1.00 0.00 C ATOM 2246 C ILE A 139 4.209 12.144 3.649 1.00 0.00 C ATOM 2247 O ILE A 139 3.733 13.173 4.100 1.00 0.00 O ATOM 2248 CB ILE A 139 2.490 10.580 2.621 1.00 0.00 C ATOM 2249 CG1 ILE A 139 1.405 11.354 3.335 1.00 0.00 C ATOM 2250 CG2 ILE A 139 2.893 9.378 3.464 1.00 0.00 C ATOM 2251 CD1 ILE A 139 0.102 10.619 3.468 1.00 0.00 C ATOM 0 H ILE A 139 4.797 9.864 1.616 1.00 0.00 H new ATOM 0 HA ILE A 139 3.343 12.331 1.696 1.00 0.00 H new ATOM 0 HB ILE A 139 2.126 10.209 1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 139 1.761 11.620 4.330 1.00 0.00 H new ATOM 0 HG13 ILE A 139 1.229 12.287 2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 139 2.022 8.746 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 139 3.659 8.806 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 139 3.287 9.720 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -0.618 11.247 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -0.281 10.376 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 139 0.259 9.699 4.032 1.00 0.00 H new ATOM 2263 N TRP A 140 5.208 11.550 4.187 1.00 0.00 N ATOM 2264 CA TRP A 140 5.768 11.939 5.468 1.00 0.00 C ATOM 2265 C TRP A 140 6.741 13.086 5.310 1.00 0.00 C ATOM 2266 O TRP A 140 7.235 13.634 6.296 1.00 0.00 O ATOM 2267 CB TRP A 140 6.421 10.746 6.181 1.00 0.00 C ATOM 2268 CG TRP A 140 5.457 9.628 6.420 1.00 0.00 C ATOM 2269 CD1 TRP A 140 5.413 8.434 5.775 1.00 0.00 C ATOM 2270 CD2 TRP A 140 4.367 9.625 7.347 1.00 0.00 C ATOM 2271 NE1 TRP A 140 4.377 7.670 6.258 1.00 0.00 N ATOM 2272 CE2 TRP A 140 3.719 8.383 7.222 1.00 0.00 C ATOM 2273 CE3 TRP A 140 3.880 10.549 8.278 1.00 0.00 C ATOM 2274 CZ2 TRP A 140 2.616 8.042 7.989 1.00 0.00 C ATOM 2275 CZ3 TRP A 140 2.783 10.207 9.038 1.00 0.00 C ATOM 2276 CH2 TRP A 140 2.161 8.965 8.889 1.00 0.00 C ATOM 0 H TRP A 140 5.685 10.759 3.755 1.00 0.00 H new ATOM 0 HA TRP A 140 4.947 12.284 6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 140 7.256 10.381 5.583 1.00 0.00 H new ATOM 0 HB3 TRP A 140 6.833 11.077 7.134 1.00 0.00 H new ATOM 0 HD1 TRP A 140 6.094 8.128 4.995 1.00 0.00 H new ATOM 0 HE1 TRP A 140 4.139 6.728 5.949 1.00 0.00 H new ATOM 0 HE3 TRP A 140 4.355 11.512 8.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 2.134 7.082 7.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 2.398 10.911 9.761 1.00 0.00 H new ATOM 0 HH2 TRP A 140 1.301 8.729 9.499 1.00 0.00 H new ATOM 2287 N SER A 141 7.048 13.418 4.074 1.00 0.00 N ATOM 2288 CA SER A 141 7.822 14.568 3.782 1.00 0.00 C ATOM 2289 C SER A 141 6.889 15.766 3.926 1.00 0.00 C ATOM 2290 O SER A 141 6.129 16.078 3.010 1.00 0.00 O ATOM 2291 CB SER A 141 8.345 14.527 2.342 1.00 0.00 C ATOM 2292 OG SER A 141 8.900 13.271 1.991 1.00 0.00 O ATOM 0 H SER A 141 6.759 12.886 3.253 1.00 0.00 H new ATOM 0 HA SER A 141 8.679 14.624 4.453 1.00 0.00 H new ATOM 0 HB2 SER A 141 7.529 14.762 1.658 1.00 0.00 H new ATOM 0 HB3 SER A 141 9.101 15.301 2.214 1.00 0.00 H new ATOM 0 HG SER A 141 9.555 13.002 2.668 1.00 0.00 H new