USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 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 87 ASN : amide:sc= -1.24! C(o=-1.1!,f=-11!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 139:sc= 0.13 (180deg=-0.551) USER MOD Set 2.1: A 64 ASN : amide:sc= -3.06! C(o=-3!,f=-1.7!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ -154:sc= 0.0883 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0983) USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= -1.15 (180deg=-2.99!) USER MOD Single : A 15 MET CE :methyl 163:sc= -0.139 (180deg=-0.687) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0353) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.6! C(o=-1.6!,f=-3.3!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.679! (180deg=-1.5!) USER MOD Single : A 47 THR OG1 : rot 153:sc= 1.23 USER MOD Single : A 48 HIS : no HD1:sc= 0.302 K(o=0.3,f=-6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= 1.17 (180deg=0.852) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 65 LYS NZ :NH3+ -149:sc= -2.84! (180deg=-4.12!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 2.47 (180deg=1.78) USER MOD Single : A 72 ASN : amide:sc= -1.22 K(o=-1.2,f=-6.5!) USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.604 (180deg=0.467) USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= 1.76 (180deg=1.29) USER MOD Single : A 78 ASN : amide:sc= -0.951! C(o=-0.95!,f=-5!) USER MOD Single : A 86 ASN : amide:sc= -3.22! K(o=-3.2!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 5 3.299 10.402 5.910 1.00 0.00 N ATOM 67 CA PHE A 5 3.234 9.000 5.638 1.00 0.00 C ATOM 68 C PHE A 5 4.579 8.382 5.909 1.00 0.00 C ATOM 69 O PHE A 5 5.590 8.796 5.326 1.00 0.00 O ATOM 70 CB PHE A 5 2.867 8.754 4.188 1.00 0.00 C ATOM 71 CG PHE A 5 1.496 9.202 3.768 1.00 0.00 C ATOM 72 CD1 PHE A 5 1.248 10.515 3.422 1.00 0.00 C ATOM 73 CD2 PHE A 5 0.479 8.291 3.663 1.00 0.00 C ATOM 74 CE1 PHE A 5 0.003 10.903 2.980 1.00 0.00 C ATOM 75 CE2 PHE A 5 -0.763 8.666 3.206 1.00 0.00 C ATOM 76 CZ PHE A 5 -1.001 9.969 2.862 1.00 0.00 C ATOM 0 HA PHE A 5 2.473 8.555 6.278 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.600 9.258 3.558 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.955 7.686 3.988 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.039 11.246 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.655 7.263 3.943 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.185 11.936 2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.550 7.932 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.974 10.264 2.499 1.00 0.00 H new ATOM 86 N LYS A 6 4.607 7.412 6.775 1.00 0.00 N ATOM 87 CA LYS A 6 5.827 6.730 7.118 1.00 0.00 C ATOM 88 C LYS A 6 5.607 5.227 7.123 1.00 0.00 C ATOM 89 O LYS A 6 4.461 4.778 7.239 1.00 0.00 O ATOM 90 CB LYS A 6 6.404 7.223 8.469 1.00 0.00 C ATOM 91 CG LYS A 6 6.966 8.637 8.409 1.00 0.00 C ATOM 92 CD LYS A 6 7.669 9.036 9.697 1.00 0.00 C ATOM 93 CE LYS A 6 8.260 10.438 9.582 1.00 0.00 C ATOM 94 NZ LYS A 6 7.219 11.477 9.464 1.00 0.00 N ATOM 0 H LYS A 6 3.783 7.068 7.267 1.00 0.00 H new ATOM 0 HA LYS A 6 6.569 6.966 6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.621 7.184 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.191 6.541 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.667 8.712 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.157 9.339 8.208 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.963 9.001 10.527 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.460 8.321 9.921 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.877 10.643 10.457 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.916 10.483 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.657 12.417 9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.745 11.391 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.520 11.356 10.225 1.00 0.00 H new ATOM 108 N PRO A 7 6.695 4.438 6.924 1.00 0.00 N ATOM 109 CA PRO A 7 6.648 2.967 6.945 1.00 0.00 C ATOM 110 C PRO A 7 5.846 2.411 8.120 1.00 0.00 C ATOM 111 O PRO A 7 6.100 2.745 9.281 1.00 0.00 O ATOM 112 CB PRO A 7 8.110 2.587 7.095 1.00 0.00 C ATOM 113 CG PRO A 7 8.857 3.671 6.413 1.00 0.00 C ATOM 114 CD PRO A 7 8.063 4.924 6.626 1.00 0.00 C ATOM 0 HA PRO A 7 6.159 2.566 6.057 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.393 2.512 8.145 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.315 1.618 6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.861 3.771 6.826 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.969 3.457 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.464 5.515 7.449 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.076 5.560 5.741 1.00 0.00 H new ATOM 122 N GLY A 8 4.882 1.585 7.806 1.00 0.00 N ATOM 123 CA GLY A 8 4.045 1.002 8.806 1.00 0.00 C ATOM 124 C GLY A 8 2.614 1.452 8.672 1.00 0.00 C ATOM 125 O GLY A 8 1.697 0.731 9.078 1.00 0.00 O ATOM 0 H GLY A 8 4.661 1.302 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.093 -0.084 8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.419 1.270 9.794 1.00 0.00 H new ATOM 129 N ASP A 9 2.423 2.623 8.081 1.00 0.00 N ATOM 130 CA ASP A 9 1.088 3.208 7.923 1.00 0.00 C ATOM 131 C ASP A 9 0.296 2.506 6.832 1.00 0.00 C ATOM 132 O ASP A 9 0.867 1.952 5.859 1.00 0.00 O ATOM 133 CB ASP A 9 1.172 4.710 7.651 1.00 0.00 C ATOM 134 CG ASP A 9 -0.178 5.395 7.535 1.00 0.00 C ATOM 135 OD1 ASP A 9 -0.838 5.634 8.567 1.00 0.00 O ATOM 136 OD2 ASP A 9 -0.583 5.737 6.415 1.00 0.00 O ATOM 0 H ASP A 9 3.177 3.194 7.699 1.00 0.00 H new ATOM 0 HA ASP A 9 0.557 3.063 8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.740 5.182 8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.730 4.871 6.728 1.00 0.00 H new ATOM 141 N LEU A 10 -0.992 2.529 6.996 1.00 0.00 N ATOM 142 CA LEU A 10 -1.917 1.864 6.141 1.00 0.00 C ATOM 143 C LEU A 10 -2.578 2.851 5.230 1.00 0.00 C ATOM 144 O LEU A 10 -3.217 3.820 5.676 1.00 0.00 O ATOM 145 CB LEU A 10 -2.933 1.170 6.998 1.00 0.00 C ATOM 146 CG LEU A 10 -2.391 0.055 7.888 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.512 -0.600 8.671 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.623 -0.965 7.055 1.00 0.00 C ATOM 0 H LEU A 10 -1.441 3.033 7.761 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.399 1.133 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.417 1.913 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.704 0.752 6.351 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.698 0.490 8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.103 -1.392 9.299 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.001 0.145 9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.239 -1.025 7.979 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.243 -1.753 7.705 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.288 -1.399 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.788 -0.473 6.556 1.00 0.00 H new ATOM 160 N ILE A 11 -2.475 2.597 3.967 1.00 0.00 N ATOM 161 CA ILE A 11 -2.933 3.521 2.989 1.00 0.00 C ATOM 162 C ILE A 11 -3.678 2.841 1.867 1.00 0.00 C ATOM 163 O ILE A 11 -3.947 1.639 1.878 1.00 0.00 O ATOM 164 CB ILE A 11 -1.741 4.244 2.331 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.747 3.202 1.827 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.077 5.194 3.297 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.103 3.657 0.697 1.00 0.00 C ATOM 0 H ILE A 11 -2.070 1.742 3.586 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.591 4.212 3.516 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.103 4.839 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.102 2.904 2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.297 2.314 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.240 5.689 2.804 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.798 5.942 3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.712 4.638 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.779 2.854 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.530 3.926 -0.149 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.684 4.526 1.006 1.00 0.00 H new ATOM 179 N PHE A 12 -3.990 3.645 0.913 1.00 0.00 N ATOM 180 CA PHE A 12 -4.518 3.269 -0.327 1.00 0.00 C ATOM 181 C PHE A 12 -3.610 3.869 -1.337 1.00 0.00 C ATOM 182 O PHE A 12 -3.254 5.059 -1.250 1.00 0.00 O ATOM 183 CB PHE A 12 -5.943 3.761 -0.513 1.00 0.00 C ATOM 184 CG PHE A 12 -6.990 2.865 0.110 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.161 2.807 1.481 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.811 2.088 -0.693 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.128 1.992 2.040 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.776 1.271 -0.139 1.00 0.00 C ATOM 189 CZ PHE A 12 -8.935 1.223 1.229 1.00 0.00 C ATOM 0 H PHE A 12 -3.869 4.654 0.997 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.573 2.184 -0.418 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.031 4.759 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.148 3.855 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.532 3.406 2.123 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.694 2.122 -1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.251 1.958 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.406 0.670 -0.777 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.690 0.585 1.664 1.00 0.00 H new ATOM 199 N ALA A 13 -3.217 3.084 -2.248 1.00 0.00 N ATOM 200 CA ALA A 13 -2.265 3.456 -3.204 1.00 0.00 C ATOM 201 C ALA A 13 -2.938 3.643 -4.506 1.00 0.00 C ATOM 202 O ALA A 13 -3.697 2.797 -4.951 1.00 0.00 O ATOM 203 CB ALA A 13 -1.230 2.381 -3.300 1.00 0.00 C ATOM 0 H ALA A 13 -3.560 2.129 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.782 4.390 -2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.483 2.661 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.748 2.252 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.704 1.445 -3.597 1.00 0.00 H new ATOM 209 N LYS A 14 -2.696 4.760 -5.088 1.00 0.00 N ATOM 210 CA LYS A 14 -3.267 5.097 -6.308 1.00 0.00 C ATOM 211 C LYS A 14 -2.147 5.324 -7.307 1.00 0.00 C ATOM 212 O LYS A 14 -1.331 6.255 -7.155 1.00 0.00 O ATOM 213 CB LYS A 14 -4.136 6.339 -6.084 1.00 0.00 C ATOM 214 CG LYS A 14 -4.937 6.801 -7.274 1.00 0.00 C ATOM 215 CD LYS A 14 -4.080 7.436 -8.349 1.00 0.00 C ATOM 216 CE LYS A 14 -3.667 8.881 -8.047 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.669 8.987 -6.939 1.00 0.00 N ATOM 0 H LYS A 14 -2.076 5.474 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.905 4.310 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.824 6.135 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.491 7.157 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.472 5.951 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.688 7.519 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.182 6.834 -8.486 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.625 7.415 -9.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.249 9.329 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.554 9.459 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.992 9.747 -7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.161 9.203 -6.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.159 8.086 -6.844 1.00 0.00 H new ATOM 231 N MET A 15 -2.139 4.518 -8.321 1.00 0.00 N ATOM 232 CA MET A 15 -1.125 4.552 -9.353 1.00 0.00 C ATOM 233 C MET A 15 -1.640 5.349 -10.522 1.00 0.00 C ATOM 234 O MET A 15 -2.836 5.545 -10.652 1.00 0.00 O ATOM 235 CB MET A 15 -0.782 3.146 -9.832 1.00 0.00 C ATOM 236 CG MET A 15 -0.180 2.229 -8.786 1.00 0.00 C ATOM 237 SD MET A 15 0.123 0.573 -9.428 1.00 0.00 S ATOM 238 CE MET A 15 1.210 0.901 -10.803 1.00 0.00 C ATOM 0 H MET A 15 -2.848 3.799 -8.467 1.00 0.00 H new ATOM 0 HA MET A 15 -0.227 5.009 -8.938 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.689 2.681 -10.219 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.084 3.225 -10.666 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.757 2.655 -8.427 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.851 2.168 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 15 1.711 -0.021 -11.099 1.00 0.00 H new ATOM 0 HE2 MET A 15 0.630 1.284 -11.642 1.00 0.00 H new ATOM 0 HE3 MET A 15 1.955 1.641 -10.510 1.00 0.00 H new ATOM 248 N LYS A 16 -0.756 5.853 -11.342 1.00 0.00 N ATOM 249 CA LYS A 16 -1.188 6.559 -12.522 1.00 0.00 C ATOM 250 C LYS A 16 -1.853 5.551 -13.458 1.00 0.00 C ATOM 251 O LYS A 16 -1.209 4.623 -13.923 1.00 0.00 O ATOM 252 CB LYS A 16 0.026 7.208 -13.209 1.00 0.00 C ATOM 253 CG LYS A 16 -0.289 7.988 -14.483 1.00 0.00 C ATOM 254 CD LYS A 16 0.989 8.526 -15.117 1.00 0.00 C ATOM 255 CE LYS A 16 0.720 9.268 -16.425 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.120 10.484 -16.229 1.00 0.00 N ATOM 0 H LYS A 16 0.255 5.790 -11.219 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.895 7.347 -12.262 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.508 7.881 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.748 6.427 -13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.808 7.342 -15.191 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.962 8.814 -14.252 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.485 9.198 -14.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.674 7.700 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.669 9.555 -16.878 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.223 8.596 -17.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.203 10.997 -17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.066 10.203 -15.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.323 11.101 -15.519 1.00 0.00 H new ATOM 270 N GLY A 17 -3.133 5.736 -13.694 1.00 0.00 N ATOM 271 CA GLY A 17 -3.864 4.847 -14.569 1.00 0.00 C ATOM 272 C GLY A 17 -4.687 3.824 -13.801 1.00 0.00 C ATOM 273 O GLY A 17 -5.621 3.243 -14.345 1.00 0.00 O ATOM 0 H GLY A 17 -3.688 6.492 -13.293 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.523 5.433 -15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.163 4.328 -15.223 1.00 0.00 H new ATOM 277 N TYR A 18 -4.361 3.615 -12.534 1.00 0.00 N ATOM 278 CA TYR A 18 -5.058 2.623 -11.736 1.00 0.00 C ATOM 279 C TYR A 18 -5.731 3.265 -10.520 1.00 0.00 C ATOM 280 O TYR A 18 -5.199 4.211 -9.932 1.00 0.00 O ATOM 281 CB TYR A 18 -4.101 1.503 -11.289 1.00 0.00 C ATOM 282 CG TYR A 18 -3.413 0.777 -12.433 1.00 0.00 C ATOM 283 CD1 TYR A 18 -4.032 -0.282 -13.080 1.00 0.00 C ATOM 284 CD2 TYR A 18 -2.146 1.156 -12.864 1.00 0.00 C ATOM 285 CE1 TYR A 18 -3.412 -0.942 -14.121 1.00 0.00 C ATOM 286 CE2 TYR A 18 -1.521 0.501 -13.903 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.157 -0.546 -14.528 1.00 0.00 C ATOM 288 OH TYR A 18 -1.536 -1.198 -15.561 1.00 0.00 O ATOM 0 H TYR A 18 -3.623 4.117 -12.041 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.834 2.183 -12.363 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.341 1.930 -10.635 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.660 0.778 -10.697 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.016 -0.595 -12.764 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.643 1.978 -12.376 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.908 -1.765 -14.614 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.537 0.808 -14.225 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.658 -0.794 -15.722 1.00 0.00 H new ATOM 298 N PRO A 19 -6.920 2.765 -10.137 1.00 0.00 N ATOM 299 CA PRO A 19 -7.670 3.275 -8.984 1.00 0.00 C ATOM 300 C PRO A 19 -6.989 2.959 -7.641 1.00 0.00 C ATOM 301 O PRO A 19 -6.005 2.220 -7.587 1.00 0.00 O ATOM 302 CB PRO A 19 -9.016 2.547 -9.081 1.00 0.00 C ATOM 303 CG PRO A 19 -8.716 1.298 -9.829 1.00 0.00 C ATOM 304 CD PRO A 19 -7.633 1.657 -10.805 1.00 0.00 C ATOM 0 HA PRO A 19 -7.750 4.362 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.421 2.329 -8.093 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.757 3.153 -9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.388 0.507 -9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.602 0.929 -10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.971 0.813 -10.999 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.045 1.966 -11.766 1.00 0.00 H new ATOM 312 N HIS A 20 -7.516 3.551 -6.579 1.00 0.00 N ATOM 313 CA HIS A 20 -7.003 3.360 -5.223 1.00 0.00 C ATOM 314 C HIS A 20 -7.095 1.885 -4.803 1.00 0.00 C ATOM 315 O HIS A 20 -8.176 1.294 -4.817 1.00 0.00 O ATOM 316 CB HIS A 20 -7.788 4.218 -4.211 1.00 0.00 C ATOM 317 CG HIS A 20 -7.619 5.698 -4.375 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.449 6.498 -5.136 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.691 6.526 -3.851 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.001 7.751 -5.060 1.00 0.00 C ATOM 321 NE2 HIS A 20 -6.937 7.825 -4.291 1.00 0.00 N ATOM 0 H HIS A 20 -8.316 4.182 -6.630 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.958 3.670 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.847 3.976 -4.296 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.478 3.941 -3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -5.886 6.229 -3.195 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.452 8.594 -5.563 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.401 8.662 -4.063 1.00 0.00 H new ATOM 329 N TRP A 21 -5.972 1.319 -4.459 1.00 0.00 N ATOM 330 CA TRP A 21 -5.877 -0.063 -4.036 1.00 0.00 C ATOM 331 C TRP A 21 -5.277 -0.073 -2.624 1.00 0.00 C ATOM 332 O TRP A 21 -4.355 0.691 -2.364 1.00 0.00 O ATOM 333 CB TRP A 21 -4.934 -0.790 -5.006 1.00 0.00 C ATOM 334 CG TRP A 21 -4.972 -2.287 -4.939 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.401 -3.099 -3.997 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.595 -3.148 -5.889 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.658 -4.413 -4.297 1.00 0.00 N ATOM 338 CE2 TRP A 21 -5.382 -4.467 -5.465 1.00 0.00 C ATOM 339 CE3 TRP A 21 -6.321 -2.923 -7.064 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.866 -5.556 -6.176 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.801 -4.008 -7.768 1.00 0.00 C ATOM 342 CH2 TRP A 21 -6.571 -5.310 -7.322 1.00 0.00 C ATOM 0 H TRP A 21 -5.077 1.808 -4.463 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.850 -0.554 -4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.179 -0.482 -6.023 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.914 -0.460 -4.810 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.833 -2.757 -3.145 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.361 -5.217 -3.745 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.502 -1.917 -7.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.692 -6.566 -5.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -7.362 -3.847 -8.677 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.958 -6.141 -7.894 1.00 0.00 H new ATOM 353 N PRO A 22 -5.790 -0.893 -1.690 1.00 0.00 N ATOM 354 CA PRO A 22 -5.264 -0.951 -0.314 1.00 0.00 C ATOM 355 C PRO A 22 -3.789 -1.387 -0.292 1.00 0.00 C ATOM 356 O PRO A 22 -3.431 -2.453 -0.821 1.00 0.00 O ATOM 357 CB PRO A 22 -6.154 -1.998 0.380 1.00 0.00 C ATOM 358 CG PRO A 22 -6.797 -2.770 -0.724 1.00 0.00 C ATOM 359 CD PRO A 22 -6.902 -1.836 -1.895 1.00 0.00 C ATOM 0 HA PRO A 22 -5.289 0.021 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.564 -2.651 1.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.902 -1.520 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.203 -3.648 -0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.782 -3.128 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.806 -2.368 -2.841 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.864 -1.323 -1.913 1.00 0.00 H new ATOM 367 N ALA A 23 -2.935 -0.573 0.300 1.00 0.00 N ATOM 368 CA ALA A 23 -1.541 -0.852 0.314 1.00 0.00 C ATOM 369 C ALA A 23 -0.892 -0.426 1.624 1.00 0.00 C ATOM 370 O ALA A 23 -1.498 0.260 2.446 1.00 0.00 O ATOM 371 CB ALA A 23 -0.888 -0.170 -0.847 1.00 0.00 C ATOM 0 H ALA A 23 -3.201 0.289 0.776 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.405 -1.930 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.181 -0.382 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.324 -0.537 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.045 0.906 -0.772 1.00 0.00 H new ATOM 377 N ARG A 24 0.304 -0.883 1.824 1.00 0.00 N ATOM 378 CA ARG A 24 1.096 -0.573 2.991 1.00 0.00 C ATOM 379 C ARG A 24 2.311 0.246 2.585 1.00 0.00 C ATOM 380 O ARG A 24 2.893 -0.003 1.527 1.00 0.00 O ATOM 381 CB ARG A 24 1.563 -1.892 3.658 1.00 0.00 C ATOM 382 CG ARG A 24 2.635 -1.712 4.725 1.00 0.00 C ATOM 383 CD ARG A 24 3.111 -3.031 5.320 1.00 0.00 C ATOM 384 NE ARG A 24 4.288 -2.809 6.174 1.00 0.00 N ATOM 385 CZ ARG A 24 4.261 -2.560 7.486 1.00 0.00 C ATOM 386 NH1 ARG A 24 3.140 -2.765 8.190 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.362 -2.149 8.109 1.00 0.00 N ATOM 0 H ARG A 24 0.778 -1.501 1.165 1.00 0.00 H new ATOM 0 HA ARG A 24 0.494 0.002 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.700 -2.383 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.945 -2.560 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.486 -1.187 4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.243 -1.080 5.522 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.310 -3.485 5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.359 -3.730 4.521 1.00 0.00 H new ATOM 0 HE ARG A 24 5.203 -2.849 5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.302 -3.113 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.125 -2.573 9.192 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.228 -2.024 7.585 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.340 -1.959 9.111 1.00 0.00 H new ATOM 401 N VAL A 25 2.660 1.234 3.380 1.00 0.00 N ATOM 402 CA VAL A 25 3.921 1.919 3.189 1.00 0.00 C ATOM 403 C VAL A 25 4.924 1.092 3.951 1.00 0.00 C ATOM 404 O VAL A 25 4.798 0.955 5.167 1.00 0.00 O ATOM 405 CB VAL A 25 3.919 3.362 3.765 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.252 4.052 3.497 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.787 4.172 3.178 1.00 0.00 C ATOM 0 H VAL A 25 2.096 1.579 4.157 1.00 0.00 H new ATOM 0 HA VAL A 25 4.139 2.017 2.126 1.00 0.00 H new ATOM 0 HB VAL A 25 3.774 3.293 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.229 5.061 3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.056 3.486 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.426 4.103 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.805 5.179 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.902 4.226 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.836 3.696 3.419 1.00 0.00 H new ATOM 417 N ASP A 26 5.864 0.508 3.273 1.00 0.00 N ATOM 418 CA ASP A 26 6.769 -0.413 3.952 1.00 0.00 C ATOM 419 C ASP A 26 8.091 0.280 4.282 1.00 0.00 C ATOM 420 O ASP A 26 8.253 1.476 3.996 1.00 0.00 O ATOM 421 CB ASP A 26 6.972 -1.703 3.136 1.00 0.00 C ATOM 422 CG ASP A 26 7.372 -2.871 4.024 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.481 -3.452 4.701 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.568 -3.212 4.101 1.00 0.00 O ATOM 0 H ASP A 26 6.035 0.637 2.276 1.00 0.00 H new ATOM 0 HA ASP A 26 6.313 -0.712 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.052 -1.947 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.741 -1.539 2.381 1.00 0.00 H new ATOM 429 N GLU A 27 9.022 -0.438 4.860 1.00 0.00 N ATOM 430 CA GLU A 27 10.247 0.136 5.324 1.00 0.00 C ATOM 431 C GLU A 27 11.341 0.072 4.271 1.00 0.00 C ATOM 432 O GLU A 27 11.653 -0.988 3.729 1.00 0.00 O ATOM 433 CB GLU A 27 10.751 -0.549 6.619 1.00 0.00 C ATOM 434 CG GLU A 27 9.780 -0.546 7.804 1.00 0.00 C ATOM 435 CD GLU A 27 8.741 -1.647 7.757 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.681 -1.477 7.150 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.970 -2.717 8.330 1.00 0.00 O ATOM 0 H GLU A 27 8.944 -1.442 5.020 1.00 0.00 H new ATOM 0 HA GLU A 27 10.024 1.181 5.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.003 -1.583 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.674 -0.059 6.930 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.351 -0.640 8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.271 0.417 7.840 1.00 0.00 H new ATOM 597 N LYS A 39 8.795 9.649 -3.328 1.00 0.00 N ATOM 598 CA LYS A 39 7.999 8.483 -3.289 1.00 0.00 C ATOM 599 C LYS A 39 8.403 7.592 -2.172 1.00 0.00 C ATOM 600 O LYS A 39 9.529 7.674 -1.661 1.00 0.00 O ATOM 601 CB LYS A 39 8.024 7.727 -4.597 1.00 0.00 C ATOM 602 CG LYS A 39 7.278 8.434 -5.682 1.00 0.00 C ATOM 603 CD LYS A 39 7.307 7.651 -6.959 1.00 0.00 C ATOM 604 CE LYS A 39 6.310 8.201 -7.940 1.00 0.00 C ATOM 605 NZ LYS A 39 4.905 7.871 -7.583 1.00 0.00 N ATOM 0 HA LYS A 39 6.974 8.813 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.058 7.580 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.592 6.737 -4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.245 8.592 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.716 9.419 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.307 7.686 -7.391 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.085 6.604 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.421 9.284 -7.995 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.529 7.808 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.282 8.093 -8.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.833 6.858 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.616 8.431 -6.755 1.00 0.00 H new ATOM 619 N LEU A 40 7.505 6.742 -1.844 1.00 0.00 N ATOM 620 CA LEU A 40 7.624 5.812 -0.746 1.00 0.00 C ATOM 621 C LEU A 40 7.473 4.398 -1.292 1.00 0.00 C ATOM 622 O LEU A 40 6.930 4.217 -2.401 1.00 0.00 O ATOM 623 CB LEU A 40 6.492 6.082 0.265 1.00 0.00 C ATOM 624 CG LEU A 40 6.437 7.478 0.908 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.151 7.638 1.676 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.612 7.698 1.850 1.00 0.00 C ATOM 0 H LEU A 40 6.621 6.658 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 40 8.591 5.927 -0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.541 5.905 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.571 5.345 1.065 1.00 0.00 H new ATOM 0 HG LEU A 40 6.489 8.217 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.119 8.629 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.305 7.521 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.097 6.880 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.545 8.694 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.588 6.950 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.545 7.608 1.294 1.00 0.00 H new ATOM 638 N PRO A 41 7.996 3.386 -0.585 1.00 0.00 N ATOM 639 CA PRO A 41 7.794 1.996 -0.970 1.00 0.00 C ATOM 640 C PRO A 41 6.375 1.556 -0.612 1.00 0.00 C ATOM 641 O PRO A 41 5.957 1.625 0.555 1.00 0.00 O ATOM 642 CB PRO A 41 8.826 1.236 -0.129 1.00 0.00 C ATOM 643 CG PRO A 41 9.081 2.105 1.054 1.00 0.00 C ATOM 644 CD PRO A 41 8.828 3.520 0.629 1.00 0.00 C ATOM 0 HA PRO A 41 7.913 1.822 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.446 0.260 0.174 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.742 1.060 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.427 1.829 1.882 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.106 1.986 1.404 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.312 4.084 1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.759 4.046 0.419 1.00 0.00 H new ATOM 652 N ILE A 42 5.646 1.109 -1.590 1.00 0.00 N ATOM 653 CA ILE A 42 4.269 0.751 -1.397 1.00 0.00 C ATOM 654 C ILE A 42 4.084 -0.726 -1.665 1.00 0.00 C ATOM 655 O ILE A 42 4.402 -1.208 -2.736 1.00 0.00 O ATOM 656 CB ILE A 42 3.349 1.551 -2.355 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.609 3.066 -2.262 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.882 1.243 -2.093 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.409 3.677 -0.888 1.00 0.00 C ATOM 0 H ILE A 42 5.986 0.982 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 42 3.999 0.985 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 42 3.590 1.234 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.632 3.262 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.951 3.574 -2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.261 1.818 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.701 0.179 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.632 1.511 -1.066 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.617 4.746 -0.931 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.379 3.521 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.087 3.204 -0.177 1.00 0.00 H new ATOM 671 N PHE A 43 3.589 -1.418 -0.706 1.00 0.00 N ATOM 672 CA PHE A 43 3.328 -2.829 -0.822 1.00 0.00 C ATOM 673 C PHE A 43 1.833 -3.033 -1.013 1.00 0.00 C ATOM 674 O PHE A 43 1.048 -2.677 -0.136 1.00 0.00 O ATOM 675 CB PHE A 43 3.816 -3.549 0.448 1.00 0.00 C ATOM 676 CG PHE A 43 3.560 -5.034 0.466 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.432 -5.905 -0.157 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.448 -5.555 1.116 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.203 -7.262 -0.137 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.215 -6.910 1.137 1.00 0.00 C ATOM 681 CZ PHE A 43 3.092 -7.763 0.512 1.00 0.00 C ATOM 0 H PHE A 43 3.345 -1.025 0.203 1.00 0.00 H new ATOM 0 HA PHE A 43 3.860 -3.244 -1.678 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.887 -3.377 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.330 -3.099 1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.303 -5.517 -0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.758 -4.887 1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.891 -7.934 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.345 -7.302 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.912 -8.828 0.528 1.00 0.00 H new ATOM 691 N PHE A 44 1.447 -3.558 -2.151 1.00 0.00 N ATOM 692 CA PHE A 44 0.026 -3.807 -2.429 1.00 0.00 C ATOM 693 C PHE A 44 -0.491 -5.046 -1.702 1.00 0.00 C ATOM 694 O PHE A 44 0.105 -6.133 -1.785 1.00 0.00 O ATOM 695 CB PHE A 44 -0.266 -3.956 -3.927 1.00 0.00 C ATOM 696 CG PHE A 44 -0.164 -2.696 -4.742 1.00 0.00 C ATOM 697 CD1 PHE A 44 -1.051 -1.648 -4.539 1.00 0.00 C ATOM 698 CD2 PHE A 44 0.782 -2.572 -5.740 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.988 -0.514 -5.307 1.00 0.00 C ATOM 700 CE2 PHE A 44 0.846 -1.435 -6.506 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.039 -0.407 -6.288 1.00 0.00 C ATOM 0 H PHE A 44 2.081 -3.825 -2.904 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.497 -2.925 -2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.424 -4.691 -4.341 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.271 -4.361 -4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.801 -1.727 -3.766 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.478 -3.378 -5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.685 0.293 -5.138 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.593 -1.348 -7.281 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.014 0.487 -6.892 1.00 0.00 H new ATOM 711 N PHE A 45 -1.599 -4.890 -1.013 1.00 0.00 N ATOM 712 CA PHE A 45 -2.229 -5.990 -0.318 1.00 0.00 C ATOM 713 C PHE A 45 -3.017 -6.854 -1.300 1.00 0.00 C ATOM 714 O PHE A 45 -3.465 -6.369 -2.346 1.00 0.00 O ATOM 715 CB PHE A 45 -3.172 -5.483 0.774 1.00 0.00 C ATOM 716 CG PHE A 45 -2.501 -4.926 1.984 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.885 -5.765 2.879 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.513 -3.579 2.245 1.00 0.00 C ATOM 719 CE1 PHE A 45 -1.291 -5.274 4.011 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.914 -3.078 3.379 1.00 0.00 C ATOM 721 CZ PHE A 45 -1.302 -3.928 4.265 1.00 0.00 C ATOM 0 H PHE A 45 -2.088 -4.000 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.442 -6.585 0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.815 -4.713 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.819 -6.304 1.083 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.869 -6.828 2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.997 -2.905 1.554 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.813 -5.949 4.705 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.926 -2.015 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.832 -3.539 5.156 1.00 0.00 H new ATOM 731 N GLY A 46 -3.143 -8.132 -0.986 1.00 0.00 N ATOM 732 CA GLY A 46 -3.917 -9.073 -1.784 1.00 0.00 C ATOM 733 C GLY A 46 -3.225 -9.544 -3.050 1.00 0.00 C ATOM 734 O GLY A 46 -3.610 -10.586 -3.632 1.00 0.00 O ATOM 0 H GLY A 46 -2.708 -8.551 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.154 -9.942 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.864 -8.607 -2.055 1.00 0.00 H new ATOM 738 N THR A 47 -2.241 -8.810 -3.509 1.00 0.00 N ATOM 739 CA THR A 47 -1.460 -9.242 -4.636 1.00 0.00 C ATOM 740 C THR A 47 0.008 -9.399 -4.234 1.00 0.00 C ATOM 741 O THR A 47 0.734 -10.188 -4.826 1.00 0.00 O ATOM 742 CB THR A 47 -1.585 -8.241 -5.804 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.221 -6.931 -5.355 1.00 0.00 O ATOM 744 CG2 THR A 47 -3.009 -8.205 -6.352 1.00 0.00 C ATOM 0 H THR A 47 -1.964 -7.910 -3.117 1.00 0.00 H new ATOM 0 HA THR A 47 -1.842 -10.208 -4.967 1.00 0.00 H new ATOM 0 HB THR A 47 -0.916 -8.566 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.887 -6.407 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.065 -7.491 -7.173 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.285 -9.196 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.696 -7.903 -5.561 1.00 0.00 H new ATOM 752 N HIS A 48 0.405 -8.689 -3.152 1.00 0.00 N ATOM 753 CA HIS A 48 1.778 -8.722 -2.599 1.00 0.00 C ATOM 754 C HIS A 48 2.790 -8.070 -3.518 1.00 0.00 C ATOM 755 O HIS A 48 3.996 -8.298 -3.391 1.00 0.00 O ATOM 756 CB HIS A 48 2.229 -10.140 -2.179 1.00 0.00 C ATOM 757 CG HIS A 48 1.648 -10.599 -0.879 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.421 -11.052 0.178 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.366 -10.688 -0.460 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.629 -11.397 1.174 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.389 -11.186 0.811 1.00 0.00 N ATOM 0 H HIS A 48 -0.223 -8.073 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 48 1.736 -8.125 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.949 -10.846 -2.961 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.316 -10.159 -2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.513 -10.416 -1.025 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.949 -11.788 2.129 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.433 -11.366 1.388 1.00 0.00 H new ATOM 770 N GLU A 49 2.306 -7.221 -4.386 1.00 0.00 N ATOM 771 CA GLU A 49 3.130 -6.496 -5.315 1.00 0.00 C ATOM 772 C GLU A 49 3.762 -5.307 -4.622 1.00 0.00 C ATOM 773 O GLU A 49 3.355 -4.928 -3.528 1.00 0.00 O ATOM 774 CB GLU A 49 2.281 -6.019 -6.465 1.00 0.00 C ATOM 775 CG GLU A 49 1.668 -7.135 -7.271 1.00 0.00 C ATOM 776 CD GLU A 49 0.664 -6.620 -8.256 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.442 -6.238 -7.809 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.972 -6.581 -9.454 1.00 0.00 O ATOM 0 H GLU A 49 1.311 -7.011 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 49 3.918 -7.151 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.485 -5.383 -6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.891 -5.401 -7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.453 -7.675 -7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.187 -7.847 -6.600 1.00 0.00 H new ATOM 785 N THR A 50 4.753 -4.732 -5.221 1.00 0.00 N ATOM 786 CA THR A 50 5.375 -3.581 -4.645 1.00 0.00 C ATOM 787 C THR A 50 5.484 -2.480 -5.698 1.00 0.00 C ATOM 788 O THR A 50 5.770 -2.750 -6.863 1.00 0.00 O ATOM 789 CB THR A 50 6.766 -3.913 -4.094 1.00 0.00 C ATOM 790 OG1 THR A 50 6.739 -5.229 -3.496 1.00 0.00 O ATOM 791 CG2 THR A 50 7.143 -2.908 -3.017 1.00 0.00 C ATOM 0 H THR A 50 5.151 -5.039 -6.109 1.00 0.00 H new ATOM 0 HA THR A 50 4.758 -3.240 -3.814 1.00 0.00 H new ATOM 0 HB THR A 50 7.490 -3.878 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.627 -5.446 -3.143 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.133 -3.147 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.153 -1.905 -3.443 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.414 -2.951 -2.208 1.00 0.00 H new ATOM 799 N ALA A 51 5.244 -1.275 -5.280 1.00 0.00 N ATOM 800 CA ALA A 51 5.265 -0.111 -6.137 1.00 0.00 C ATOM 801 C ALA A 51 5.884 1.062 -5.398 1.00 0.00 C ATOM 802 O ALA A 51 6.293 0.930 -4.243 1.00 0.00 O ATOM 803 CB ALA A 51 3.854 0.243 -6.557 1.00 0.00 C ATOM 0 H ALA A 51 5.021 -1.060 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 51 5.860 -0.333 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.876 1.121 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.415 -0.595 -7.098 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.254 0.458 -5.673 1.00 0.00 H new ATOM 809 N PHE A 52 5.962 2.202 -6.066 1.00 0.00 N ATOM 810 CA PHE A 52 6.505 3.409 -5.476 1.00 0.00 C ATOM 811 C PHE A 52 5.598 4.589 -5.755 1.00 0.00 C ATOM 812 O PHE A 52 5.440 5.034 -6.911 1.00 0.00 O ATOM 813 CB PHE A 52 7.935 3.690 -5.968 1.00 0.00 C ATOM 814 CG PHE A 52 8.921 2.604 -5.593 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.364 2.478 -4.284 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.374 1.693 -6.537 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.242 1.470 -3.925 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.250 0.682 -6.182 1.00 0.00 C ATOM 819 CZ PHE A 52 10.684 0.570 -4.875 1.00 0.00 C ATOM 0 H PHE A 52 5.650 2.314 -7.031 1.00 0.00 H new ATOM 0 HA PHE A 52 6.557 3.256 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.923 3.802 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.275 4.639 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.019 3.176 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.039 1.774 -7.561 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.581 1.387 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.595 -0.020 -6.927 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.367 -0.219 -4.597 1.00 0.00 H new ATOM 829 N LEU A 53 5.000 5.085 -4.725 1.00 0.00 N ATOM 830 CA LEU A 53 4.100 6.206 -4.797 1.00 0.00 C ATOM 831 C LEU A 53 4.437 7.120 -3.665 1.00 0.00 C ATOM 832 O LEU A 53 4.895 6.658 -2.637 1.00 0.00 O ATOM 833 CB LEU A 53 2.649 5.746 -4.696 1.00 0.00 C ATOM 834 CG LEU A 53 2.145 4.802 -5.792 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.792 4.296 -5.417 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.068 5.511 -7.138 1.00 0.00 C ATOM 0 H LEU A 53 5.121 4.718 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 53 4.210 6.718 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.516 5.251 -3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.012 6.630 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 53 2.846 3.973 -5.885 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.427 3.623 -6.193 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.854 3.759 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.105 5.136 -5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.707 4.815 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.383 6.356 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.059 5.870 -7.417 1.00 0.00 H new ATOM 848 N GLY A 54 4.271 8.392 -3.857 1.00 0.00 N ATOM 849 CA GLY A 54 4.633 9.321 -2.832 1.00 0.00 C ATOM 850 C GLY A 54 3.473 9.675 -1.985 1.00 0.00 C ATOM 851 O GLY A 54 2.364 9.257 -2.284 1.00 0.00 O ATOM 0 H GLY A 54 3.890 8.808 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.420 8.891 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.042 10.224 -3.286 1.00 0.00 H new ATOM 855 N PRO A 55 3.674 10.497 -0.943 1.00 0.00 N ATOM 856 CA PRO A 55 2.607 10.880 0.004 1.00 0.00 C ATOM 857 C PRO A 55 1.477 11.641 -0.682 1.00 0.00 C ATOM 858 O PRO A 55 0.392 11.772 -0.159 1.00 0.00 O ATOM 859 CB PRO A 55 3.333 11.781 1.016 1.00 0.00 C ATOM 860 CG PRO A 55 4.553 12.253 0.309 1.00 0.00 C ATOM 861 CD PRO A 55 4.962 11.130 -0.594 1.00 0.00 C ATOM 0 HA PRO A 55 2.130 10.012 0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.705 12.618 1.320 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.590 11.230 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.348 13.159 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.346 12.494 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.485 11.494 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.632 10.432 -0.092 1.00 0.00 H new ATOM 869 N LYS A 56 1.767 12.138 -1.851 1.00 0.00 N ATOM 870 CA LYS A 56 0.812 12.842 -2.640 1.00 0.00 C ATOM 871 C LYS A 56 0.155 11.963 -3.708 1.00 0.00 C ATOM 872 O LYS A 56 -0.639 12.427 -4.528 1.00 0.00 O ATOM 873 CB LYS A 56 1.442 14.099 -3.217 1.00 0.00 C ATOM 874 CG LYS A 56 2.887 13.955 -3.765 1.00 0.00 C ATOM 875 CD LYS A 56 3.007 13.067 -5.004 1.00 0.00 C ATOM 876 CE LYS A 56 2.290 13.663 -6.206 1.00 0.00 C ATOM 877 NZ LYS A 56 2.454 12.820 -7.405 1.00 0.00 N ATOM 0 H LYS A 56 2.688 12.061 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.007 13.143 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.805 14.462 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.445 14.867 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.272 14.946 -4.005 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.522 13.548 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.060 12.922 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.592 12.083 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.229 13.774 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.680 14.661 -6.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.166 13.356 -8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.451 12.539 -7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.861 11.970 -7.316 1.00 0.00 H new ATOM 891 N ASP A 57 0.529 10.729 -3.722 1.00 0.00 N ATOM 892 CA ASP A 57 -0.053 9.748 -4.635 1.00 0.00 C ATOM 893 C ASP A 57 -0.939 8.805 -3.853 1.00 0.00 C ATOM 894 O ASP A 57 -1.778 8.093 -4.432 1.00 0.00 O ATOM 895 CB ASP A 57 1.017 8.891 -5.356 1.00 0.00 C ATOM 896 CG ASP A 57 1.961 9.625 -6.285 1.00 0.00 C ATOM 897 OD1 ASP A 57 1.499 10.422 -7.122 1.00 0.00 O ATOM 898 OD2 ASP A 57 3.210 9.396 -6.196 1.00 0.00 O ATOM 0 H ASP A 57 1.248 10.350 -3.106 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.611 10.309 -5.385 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.612 8.381 -4.598 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.505 8.120 -5.931 1.00 0.00 H new ATOM 903 N ILE A 58 -0.763 8.815 -2.560 1.00 0.00 N ATOM 904 CA ILE A 58 -1.427 7.897 -1.667 1.00 0.00 C ATOM 905 C ILE A 58 -2.315 8.626 -0.710 1.00 0.00 C ATOM 906 O ILE A 58 -2.124 9.805 -0.448 1.00 0.00 O ATOM 907 CB ILE A 58 -0.405 7.087 -0.854 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.533 8.024 -0.096 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.363 6.167 -1.748 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.668 7.341 0.614 1.00 0.00 C ATOM 0 H ILE A 58 -0.143 9.472 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.024 7.226 -2.285 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.940 6.479 -0.124 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.946 8.748 -0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.049 8.585 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.082 5.601 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.325 5.478 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.892 6.750 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.279 8.086 1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.269 6.638 1.345 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.280 6.804 -0.111 1.00 0.00 H new ATOM 922 N PHE A 59 -3.274 7.920 -0.197 1.00 0.00 N ATOM 923 CA PHE A 59 -4.210 8.459 0.736 1.00 0.00 C ATOM 924 C PHE A 59 -4.422 7.407 1.835 1.00 0.00 C ATOM 925 O PHE A 59 -4.419 6.225 1.543 1.00 0.00 O ATOM 926 CB PHE A 59 -5.524 8.849 0.004 1.00 0.00 C ATOM 927 CG PHE A 59 -5.346 9.931 -1.048 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.438 11.270 -0.708 1.00 0.00 C ATOM 929 CD2 PHE A 59 -5.063 9.600 -2.368 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.254 12.256 -1.662 1.00 0.00 C ATOM 931 CE2 PHE A 59 -4.878 10.580 -3.324 1.00 0.00 C ATOM 932 CZ PHE A 59 -4.972 11.910 -2.970 1.00 0.00 C ATOM 0 H PHE A 59 -3.430 6.937 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.840 9.374 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.942 7.961 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.252 9.189 0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.656 11.548 0.313 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.987 8.560 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.331 13.297 -1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.660 10.306 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.825 12.679 -3.714 1.00 0.00 H new ATOM 942 N PRO A 60 -4.590 7.815 3.101 1.00 0.00 N ATOM 943 CA PRO A 60 -4.640 6.880 4.250 1.00 0.00 C ATOM 944 C PRO A 60 -5.879 5.998 4.306 1.00 0.00 C ATOM 945 O PRO A 60 -6.982 6.408 3.898 1.00 0.00 O ATOM 946 CB PRO A 60 -4.595 7.809 5.463 1.00 0.00 C ATOM 947 CG PRO A 60 -5.155 9.094 4.978 1.00 0.00 C ATOM 948 CD PRO A 60 -4.761 9.214 3.529 1.00 0.00 C ATOM 0 HA PRO A 60 -3.822 6.162 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.182 7.409 6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.575 7.934 5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.239 9.110 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.764 9.931 5.557 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.529 9.721 2.945 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.841 9.785 3.410 1.00 0.00 H new ATOM 956 N TYR A 61 -5.695 4.794 4.843 1.00 0.00 N ATOM 957 CA TYR A 61 -6.773 3.822 5.046 1.00 0.00 C ATOM 958 C TYR A 61 -7.880 4.439 5.874 1.00 0.00 C ATOM 959 O TYR A 61 -9.052 4.194 5.636 1.00 0.00 O ATOM 960 CB TYR A 61 -6.217 2.548 5.739 1.00 0.00 C ATOM 961 CG TYR A 61 -7.268 1.578 6.278 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.891 0.643 5.458 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.634 1.611 7.621 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.845 -0.224 5.961 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.584 0.754 8.125 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.187 -0.159 7.297 1.00 0.00 C ATOM 967 OH TYR A 61 -10.133 -1.007 7.810 1.00 0.00 O ATOM 0 H TYR A 61 -4.783 4.459 5.154 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.184 3.538 4.077 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.587 2.014 5.027 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.575 2.856 6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.626 0.593 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.162 2.324 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.319 -0.947 5.313 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.855 0.799 9.170 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.251 -0.826 8.766 1.00 0.00 H new ATOM 977 N SER A 62 -7.482 5.286 6.797 1.00 0.00 N ATOM 978 CA SER A 62 -8.377 5.964 7.702 1.00 0.00 C ATOM 979 C SER A 62 -9.514 6.699 6.958 1.00 0.00 C ATOM 980 O SER A 62 -10.677 6.566 7.339 1.00 0.00 O ATOM 981 CB SER A 62 -7.555 6.938 8.531 1.00 0.00 C ATOM 982 OG SER A 62 -6.394 6.276 9.023 1.00 0.00 O ATOM 0 H SER A 62 -6.501 5.527 6.941 1.00 0.00 H new ATOM 0 HA SER A 62 -8.861 5.228 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.268 7.797 7.925 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.150 7.318 9.361 1.00 0.00 H new ATOM 0 HG SER A 62 -5.862 6.902 9.556 1.00 0.00 H new ATOM 988 N GLU A 63 -9.172 7.404 5.872 1.00 0.00 N ATOM 989 CA GLU A 63 -10.155 8.197 5.117 1.00 0.00 C ATOM 990 C GLU A 63 -10.747 7.400 3.964 1.00 0.00 C ATOM 991 O GLU A 63 -11.847 7.669 3.494 1.00 0.00 O ATOM 992 CB GLU A 63 -9.496 9.433 4.512 1.00 0.00 C ATOM 993 CG GLU A 63 -8.812 10.344 5.494 1.00 0.00 C ATOM 994 CD GLU A 63 -8.243 11.560 4.812 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.110 11.503 4.273 1.00 0.00 O ATOM 996 OE2 GLU A 63 -8.898 12.618 4.804 1.00 0.00 O ATOM 0 H GLU A 63 -8.225 7.443 5.496 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.938 8.475 5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.764 9.109 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.256 10.005 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.522 10.654 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.013 9.802 6.000 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.003 6.446 3.473 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.437 5.711 2.291 1.00 0.00 C ATOM 1005 C ASN A 64 -11.228 4.487 2.628 1.00 0.00 C ATOM 1006 O ASN A 64 -11.677 3.797 1.751 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.275 5.358 1.373 1.00 0.00 C ATOM 1008 CG ASN A 64 -8.612 6.561 0.753 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -8.978 7.017 -0.320 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -7.669 7.109 1.421 1.00 0.00 N ATOM 0 H ASN A 64 -9.105 6.154 3.858 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.099 6.390 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.533 4.796 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.635 4.702 0.580 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.207 7.943 1.060 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.379 6.712 2.315 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.425 4.258 3.882 1.00 0.00 N ATOM 1018 CA LYS A 65 -12.184 3.122 4.366 1.00 0.00 C ATOM 1019 C LYS A 65 -13.660 3.254 3.945 1.00 0.00 C ATOM 1020 O LYS A 65 -14.246 2.342 3.379 1.00 0.00 O ATOM 1021 CB LYS A 65 -12.011 3.085 5.877 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.743 2.003 6.634 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.400 2.048 8.137 1.00 0.00 C ATOM 1024 CE LYS A 65 -13.047 3.223 8.923 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.692 4.599 8.438 1.00 0.00 N ATOM 0 H LYS A 65 -11.063 4.857 4.624 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.828 2.185 3.938 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.947 2.985 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.328 4.049 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.818 2.124 6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.479 1.027 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.713 1.109 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.317 2.110 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.130 3.111 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.757 3.140 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.696 5.262 9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.745 4.582 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.388 4.908 7.730 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.211 4.416 4.166 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.583 4.744 3.805 1.00 0.00 C ATOM 1041 C GLU A 66 -15.712 4.804 2.302 1.00 0.00 C ATOM 1042 O GLU A 66 -16.732 4.405 1.703 1.00 0.00 O ATOM 1043 CB GLU A 66 -15.937 6.130 4.358 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.114 6.240 5.867 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.960 5.711 6.694 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -13.767 5.930 6.338 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.205 5.056 7.707 1.00 0.00 O ATOM 0 H GLU A 66 -13.715 5.187 4.613 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.247 3.983 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.155 6.827 4.055 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.860 6.461 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.272 7.288 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.019 5.703 6.150 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.674 5.293 1.697 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.660 5.538 0.282 1.00 0.00 C ATOM 1056 C LYS A 67 -14.427 4.274 -0.532 1.00 0.00 C ATOM 1057 O LYS A 67 -15.290 3.859 -1.313 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.604 6.580 -0.083 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.732 7.875 0.690 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.847 8.980 0.107 1.00 0.00 C ATOM 1061 CE LYS A 67 -11.383 8.639 0.254 1.00 0.00 C ATOM 1062 NZ LYS A 67 -10.479 9.617 -0.404 1.00 0.00 N ATOM 0 H LYS A 67 -13.805 5.536 2.172 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.651 5.917 0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.614 6.158 0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.673 6.796 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.772 8.201 0.682 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.460 7.704 1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.086 9.124 -0.947 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.057 9.923 0.613 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.136 8.583 1.314 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.204 7.650 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.586 9.148 -0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.933 9.986 -1.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.284 10.403 0.249 1.00 0.00 H new ATOM 1076 N TYR A 68 -13.317 3.643 -0.308 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.896 2.516 -1.135 1.00 0.00 C ATOM 1078 C TYR A 68 -12.690 1.238 -0.318 1.00 0.00 C ATOM 1079 O TYR A 68 -12.302 0.220 -0.863 1.00 0.00 O ATOM 1080 CB TYR A 68 -11.588 2.855 -1.876 1.00 0.00 C ATOM 1081 CG TYR A 68 -11.611 4.167 -2.635 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -12.351 4.314 -3.796 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.895 5.261 -2.175 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -12.374 5.516 -4.476 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.911 6.462 -2.839 1.00 0.00 C ATOM 1086 CZ TYR A 68 -11.651 6.588 -3.989 1.00 0.00 C ATOM 1087 OH TYR A 68 -11.665 7.785 -4.657 1.00 0.00 O ATOM 0 H TYR A 68 -12.669 3.879 0.444 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.698 2.335 -1.850 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.774 2.884 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.364 2.050 -2.576 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.918 3.477 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.310 5.166 -1.272 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.953 5.617 -5.382 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.346 7.301 -2.460 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.105 8.432 -4.180 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.994 1.281 0.965 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.778 0.124 1.837 1.00 0.00 C ATOM 1099 C GLY A 69 -13.902 -0.903 1.762 1.00 0.00 C ATOM 1100 O GLY A 69 -14.237 -1.537 2.753 1.00 0.00 O ATOM 0 H GLY A 69 -13.390 2.097 1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.837 -0.356 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.676 0.467 2.867 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.484 -1.054 0.594 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.567 -1.979 0.391 1.00 0.00 C ATOM 1106 C LYS A 70 -15.208 -2.963 -0.710 1.00 0.00 C ATOM 1107 O LYS A 70 -14.527 -2.583 -1.671 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.880 -1.238 0.080 1.00 0.00 C ATOM 1109 CG LYS A 70 -17.286 -0.287 1.192 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.012 1.175 0.860 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.957 1.701 -0.211 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.730 3.137 -0.480 1.00 0.00 N ATOM 0 H LYS A 70 -14.216 -0.535 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.727 -2.539 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.767 -0.679 -0.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.675 -1.966 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -18.349 -0.413 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.750 -0.553 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.115 1.778 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -15.982 1.283 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.819 1.132 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.989 1.548 0.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -18.544 3.526 -0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.617 3.645 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.869 3.251 -1.052 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.650 -4.243 -0.575 1.00 0.00 N ATOM 1127 CA PRO A 71 -15.323 -5.323 -1.505 1.00 0.00 C ATOM 1128 C PRO A 71 -15.464 -4.978 -2.956 1.00 0.00 C ATOM 1129 O PRO A 71 -16.549 -4.562 -3.452 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.328 -6.369 -1.220 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.666 -6.208 0.219 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.492 -4.743 0.534 1.00 0.00 C ATOM 0 HA PRO A 71 -14.278 -5.597 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.211 -6.247 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.929 -7.363 -1.421 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.689 -6.529 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.014 -6.820 0.842 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.450 -4.225 0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.010 -4.596 1.500 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.445 -5.248 -3.663 1.00 0.00 N ATOM 1141 CA ASN A 72 -14.432 -4.940 -5.031 1.00 0.00 C ATOM 1142 C ASN A 72 -14.665 -6.184 -5.820 1.00 0.00 C ATOM 1143 O ASN A 72 -15.129 -7.186 -5.285 1.00 0.00 O ATOM 1144 CB ASN A 72 -13.131 -4.306 -5.417 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.353 -3.306 -6.486 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -13.227 -3.592 -7.678 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -13.805 -2.192 -6.065 1.00 0.00 N ATOM 0 H ASN A 72 -13.595 -5.689 -3.311 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.228 -4.226 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.678 -3.828 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.433 -5.069 -5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.088 -1.472 -6.730 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.884 -2.020 -5.063 1.00 0.00 H new ATOM 1154 N LYS A 73 -14.424 -6.110 -7.083 1.00 0.00 N ATOM 1155 CA LYS A 73 -14.569 -7.228 -7.950 1.00 0.00 C ATOM 1156 C LYS A 73 -13.222 -7.489 -8.592 1.00 0.00 C ATOM 1157 O LYS A 73 -13.100 -8.148 -9.609 1.00 0.00 O ATOM 1158 CB LYS A 73 -15.694 -6.974 -8.985 1.00 0.00 C ATOM 1159 CG LYS A 73 -17.091 -6.756 -8.349 1.00 0.00 C ATOM 1160 CD LYS A 73 -17.284 -5.331 -7.796 1.00 0.00 C ATOM 1161 CE LYS A 73 -18.448 -5.246 -6.804 1.00 0.00 C ATOM 1162 NZ LYS A 73 -18.134 -5.922 -5.498 1.00 0.00 N ATOM 0 H LYS A 73 -14.116 -5.257 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.872 -8.118 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.436 -6.099 -9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -15.744 -7.822 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.859 -6.958 -9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -17.233 -7.475 -7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.366 -5.007 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.463 -4.644 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.690 -4.199 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.333 -5.705 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -19.011 -6.292 -5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.471 -6.706 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.702 -5.236 -4.847 1.00 0.00 H new ATOM 1176 N ARG A 74 -12.199 -6.935 -7.959 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.835 -7.136 -8.382 1.00 0.00 C ATOM 1178 C ARG A 74 -10.170 -8.139 -7.464 1.00 0.00 C ATOM 1179 O ARG A 74 -10.304 -8.037 -6.232 1.00 0.00 O ATOM 1180 CB ARG A 74 -10.054 -5.814 -8.342 1.00 0.00 C ATOM 1181 CG ARG A 74 -10.638 -4.715 -9.214 1.00 0.00 C ATOM 1182 CD ARG A 74 -10.663 -5.117 -10.678 1.00 0.00 C ATOM 1183 NE ARG A 74 -11.350 -4.116 -11.512 1.00 0.00 N ATOM 1184 CZ ARG A 74 -11.669 -4.278 -12.813 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -11.361 -5.419 -13.445 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -12.304 -3.302 -13.472 1.00 0.00 N ATOM 0 H ARG A 74 -12.298 -6.336 -7.140 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.837 -7.509 -9.406 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -10.013 -5.461 -7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.027 -6.003 -8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.650 -4.486 -8.882 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.050 -3.805 -9.096 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.642 -5.248 -11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.163 -6.080 -10.781 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.604 -3.232 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.884 -6.168 -12.942 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.603 -5.539 -14.429 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.547 -2.436 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.545 -3.424 -14.456 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.492 -9.111 -8.046 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.736 -10.070 -7.274 1.00 0.00 C ATOM 1202 C LYS A 75 -7.565 -9.366 -6.641 1.00 0.00 C ATOM 1203 O LYS A 75 -6.812 -8.673 -7.315 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.281 -11.285 -8.144 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.358 -12.307 -7.430 1.00 0.00 C ATOM 1206 CD LYS A 75 -5.870 -11.905 -7.487 1.00 0.00 C ATOM 1207 CE LYS A 75 -5.000 -12.759 -6.566 1.00 0.00 C ATOM 1208 NZ LYS A 75 -5.220 -12.448 -5.126 1.00 0.00 N ATOM 0 H LYS A 75 -9.452 -9.254 -9.055 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.373 -10.482 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.169 -11.809 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.762 -10.906 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.665 -12.402 -6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.483 -13.287 -7.890 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.510 -11.998 -8.512 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.769 -10.856 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.213 -13.813 -6.744 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.950 -12.600 -6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.033 -13.297 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.576 -11.685 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.204 -12.144 -4.983 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.441 -9.526 -5.369 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.396 -8.912 -4.636 1.00 0.00 C ATOM 1224 C GLY A 76 -6.930 -7.794 -3.813 1.00 0.00 C ATOM 1225 O GLY A 76 -6.389 -7.471 -2.776 1.00 0.00 O ATOM 0 H GLY A 76 -8.072 -10.095 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.913 -9.648 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.634 -8.538 -5.320 1.00 0.00 H new ATOM 1229 N PHE A 77 -8.034 -7.234 -4.252 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.614 -6.127 -3.566 1.00 0.00 C ATOM 1231 C PHE A 77 -9.328 -6.627 -2.320 1.00 0.00 C ATOM 1232 O PHE A 77 -9.149 -6.091 -1.239 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.570 -5.365 -4.483 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.932 -3.982 -4.005 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.857 -3.788 -2.989 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -9.345 -2.875 -4.586 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -11.184 -2.516 -2.566 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.670 -1.599 -4.170 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.591 -1.421 -3.158 1.00 0.00 C ATOM 0 H PHE A 77 -8.541 -7.535 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.828 -5.434 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.118 -5.286 -5.472 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.485 -5.947 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -11.326 -4.642 -2.524 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.622 -3.009 -5.377 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.903 -2.378 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -9.205 -0.743 -4.635 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.847 -0.424 -2.830 1.00 0.00 H new ATOM 1249 N ASN A 78 -10.094 -7.701 -2.475 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.859 -8.256 -1.353 1.00 0.00 C ATOM 1251 C ASN A 78 -9.942 -8.918 -0.371 1.00 0.00 C ATOM 1252 O ASN A 78 -10.080 -8.749 0.843 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.947 -9.251 -1.800 1.00 0.00 C ATOM 1254 CG ASN A 78 -13.133 -8.595 -2.473 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -14.044 -8.160 -1.824 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -13.152 -8.559 -3.772 1.00 0.00 N ATOM 0 H ASN A 78 -10.205 -8.204 -3.355 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.366 -7.415 -0.880 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.506 -9.974 -2.486 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.296 -9.808 -0.931 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.952 -8.155 -4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.367 -8.934 -4.304 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.982 -9.637 -0.896 1.00 0.00 N ATOM 1264 CA GLU A 79 -8.014 -10.326 -0.085 1.00 0.00 C ATOM 1265 C GLU A 79 -7.137 -9.310 0.613 1.00 0.00 C ATOM 1266 O GLU A 79 -6.729 -9.505 1.747 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.147 -11.288 -0.918 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.928 -12.230 -1.836 1.00 0.00 C ATOM 1269 CD GLU A 79 -8.183 -11.637 -3.208 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.941 -10.646 -3.340 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.582 -12.124 -4.179 1.00 0.00 O ATOM 0 H GLU A 79 -8.851 -9.760 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.551 -10.926 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.459 -10.700 -1.526 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.540 -11.887 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.376 -13.163 -1.946 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.882 -12.477 -1.369 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.893 -8.203 -0.065 1.00 0.00 N ATOM 1279 CA GLY A 80 -6.107 -7.149 0.497 1.00 0.00 C ATOM 1280 C GLY A 80 -6.833 -6.432 1.596 1.00 0.00 C ATOM 1281 O GLY A 80 -6.219 -6.005 2.564 1.00 0.00 O ATOM 0 H GLY A 80 -7.235 -8.022 -1.009 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.175 -7.559 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.841 -6.438 -0.285 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.152 -6.302 1.455 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.981 -5.730 2.511 1.00 0.00 C ATOM 1287 C LEU A 81 -8.884 -6.600 3.747 1.00 0.00 C ATOM 1288 O LEU A 81 -8.877 -6.110 4.859 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.447 -5.602 2.079 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.750 -4.635 0.932 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.225 -4.680 0.590 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.333 -3.213 1.290 1.00 0.00 C ATOM 0 H LEU A 81 -8.667 -6.585 0.621 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.613 -4.727 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.803 -6.591 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.030 -5.293 2.946 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.173 -4.946 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.430 -3.988 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.498 -5.691 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.810 -4.393 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.560 -2.547 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.878 -2.886 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.262 -3.188 1.494 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.776 -7.892 3.528 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.604 -8.822 4.602 1.00 0.00 C ATOM 1306 C TRP A 82 -7.195 -8.691 5.201 1.00 0.00 C ATOM 1307 O TRP A 82 -7.039 -8.570 6.418 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.883 -10.254 4.127 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.580 -11.267 5.169 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.330 -11.573 6.253 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.426 -12.100 5.227 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.698 -12.529 7.000 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.529 -12.876 6.386 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.314 -12.251 4.407 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.558 -13.799 6.752 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.345 -13.167 4.763 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.474 -13.933 5.930 1.00 0.00 C ATOM 0 H TRP A 82 -8.806 -8.318 2.602 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.324 -8.590 5.387 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.930 -10.339 3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.287 -10.462 3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.285 -11.129 6.493 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.045 -12.920 7.876 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.210 -11.662 3.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.656 -14.388 7.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.476 -13.295 4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.701 -14.643 6.185 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.179 -8.684 4.343 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.799 -8.562 4.795 1.00 0.00 C ATOM 1330 C GLU A 83 -4.546 -7.298 5.575 1.00 0.00 C ATOM 1331 O GLU A 83 -3.903 -7.342 6.587 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.780 -8.671 3.667 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.595 -10.062 3.119 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.370 -10.166 2.225 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.409 -9.707 1.061 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.333 -10.694 2.678 1.00 0.00 O ATOM 0 H GLU A 83 -6.286 -8.761 3.332 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.661 -9.415 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.086 -8.013 2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.818 -8.306 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.501 -10.767 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.481 -10.349 2.554 1.00 0.00 H new ATOM 1343 N ILE A 84 -5.112 -6.196 5.145 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.842 -4.917 5.782 1.00 0.00 C ATOM 1345 C ILE A 84 -5.499 -4.849 7.169 1.00 0.00 C ATOM 1346 O ILE A 84 -5.070 -4.096 8.038 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.278 -3.716 4.874 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.735 -2.395 5.418 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.797 -3.644 4.743 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.937 -1.215 4.492 1.00 0.00 C ATOM 0 H ILE A 84 -5.761 -6.152 4.360 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.764 -4.833 5.920 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.856 -3.885 3.883 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.218 -2.181 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.669 -2.508 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.068 -2.801 4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.168 -4.567 4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.241 -3.512 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.524 -0.317 4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.430 -1.404 3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.002 -1.073 4.311 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.499 -5.682 7.363 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.259 -5.712 8.580 1.00 0.00 C ATOM 1364 C ASP A 85 -6.656 -6.728 9.550 1.00 0.00 C ATOM 1365 O ASP A 85 -6.436 -6.438 10.717 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.692 -6.096 8.217 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.645 -6.131 9.393 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -10.087 -5.056 9.832 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.993 -7.248 9.835 1.00 0.00 O ATOM 0 H ASP A 85 -6.805 -6.363 6.668 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.244 -4.739 9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.070 -5.388 7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.684 -7.077 7.742 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.299 -7.897 9.026 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.837 -9.008 9.890 1.00 0.00 C ATOM 1376 C ASN A 86 -4.349 -9.016 10.053 1.00 0.00 C ATOM 1377 O ASN A 86 -3.827 -9.197 11.152 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.305 -10.398 9.389 1.00 0.00 C ATOM 1379 CG ASN A 86 -7.807 -10.612 9.473 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.282 -11.728 9.720 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.543 -9.578 9.237 1.00 0.00 N ATOM 0 H ASN A 86 -6.315 -8.110 8.029 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.299 -8.823 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.988 -10.525 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.805 -11.171 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.559 -9.662 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.108 -8.677 9.038 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.647 -8.825 8.977 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.194 -8.847 9.048 1.00 0.00 C ATOM 1390 C ASN A 87 -1.593 -7.652 8.292 1.00 0.00 C ATOM 1391 O ASN A 87 -0.956 -7.820 7.261 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.650 -10.199 8.515 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.137 -10.415 8.691 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.503 -9.917 9.637 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.442 -11.180 7.799 1.00 0.00 N ATOM 0 H ASN A 87 -4.035 -8.654 8.049 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.891 -8.755 10.091 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.177 -11.008 9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.890 -10.276 7.455 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.440 -11.380 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.105 -11.575 7.034 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.795 -6.398 8.803 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.296 -5.156 8.142 1.00 0.00 C ATOM 1404 C PRO A 88 0.231 -5.072 8.178 1.00 0.00 C ATOM 1405 O PRO A 88 0.857 -4.181 7.600 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.897 -4.036 9.002 1.00 0.00 C ATOM 1407 CG PRO A 88 -2.172 -4.660 10.324 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.553 -6.077 10.043 1.00 0.00 C ATOM 0 HA PRO A 88 -1.575 -5.108 7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.205 -3.200 9.098 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.810 -3.644 8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.293 -4.613 10.967 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.975 -4.136 10.843 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.277 -6.738 10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.628 -6.183 9.896 1.00 0.00 H new ATOM 1416 N LYS A 89 0.793 -6.004 8.884 1.00 0.00 N ATOM 1417 CA LYS A 89 2.206 -6.159 9.080 1.00 0.00 C ATOM 1418 C LYS A 89 2.758 -7.285 8.199 1.00 0.00 C ATOM 1419 O LYS A 89 3.802 -7.866 8.508 1.00 0.00 O ATOM 1420 CB LYS A 89 2.492 -6.448 10.561 1.00 0.00 C ATOM 1421 CG LYS A 89 1.492 -7.410 11.205 1.00 0.00 C ATOM 1422 CD LYS A 89 2.000 -7.984 12.516 1.00 0.00 C ATOM 1423 CE LYS A 89 3.094 -9.015 12.265 1.00 0.00 C ATOM 1424 NZ LYS A 89 2.577 -10.175 11.482 1.00 0.00 N ATOM 0 H LYS A 89 0.249 -6.719 9.367 1.00 0.00 H new ATOM 0 HA LYS A 89 2.704 -5.233 8.793 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.495 -6.865 10.653 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.486 -5.508 11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.552 -6.888 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.279 -8.225 10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.387 -7.182 13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.176 -8.446 13.060 1.00 0.00 H new ATOM 0 HE2 LYS A 89 3.919 -8.549 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.492 -9.365 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.284 -10.458 10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.392 -10.972 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.695 -9.904 11.002 1.00 0.00 H new