USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1018 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 Single : A 46 MET CE :methyl 168:sc= -0.909 (180deg=-1.18) USER MOD Single : A 57 THR OG1 : rot -94:sc= 0.61 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -6:sc= 0.962 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 SER OG : rot -39:sc= 0.0516 USER MOD Single : A 74 LYS NZ :NH3+ -167:sc=-0.00836 (180deg=-0.192) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -157:sc= -0.139 (180deg=-0.691) USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.231) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0536) USER MOD Single : A 85 LYS NZ :NH3+ -149:sc= -0.143 (180deg=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= -0.0168 (180deg=-0.144) USER MOD Single : A 91 MET CE :methyl -169:sc= -0.528 (180deg=-0.823) USER MOD Single : A 96 ASN : amide:sc= -1.01 K(o=-1,f=-2.9!) USER MOD Single : B 46 MET CE :methyl 168:sc= -0.822 (180deg=-1.14) USER MOD Single : B 57 THR OG1 : rot -62:sc= 0.61 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot -7:sc= 0.996 USER MOD Single : B 67 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 71 SER OG : rot -35:sc= 0.0674 USER MOD Single : B 74 LYS NZ :NH3+ -167:sc= -0.0256 (180deg=-0.213) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 MET CE :methyl -155:sc= -0.124 (180deg=-0.712) USER MOD Single : B 82 LYS NZ :NH3+ -165:sc= -0.0233 (180deg=-0.265) USER MOD Single : B 83 LYS NZ :NH3+ -174:sc=-0.00113 (180deg=-0.0595) USER MOD Single : B 85 LYS NZ :NH3+ -149:sc= -0.141 (180deg=-1.54!) USER MOD Single : B 86 LYS NZ :NH3+ 169:sc=-0.00261 (180deg=-0.143) USER MOD Single : B 91 MET CE :methyl -167:sc= -0.517 (180deg=-0.868) USER MOD Single : B 96 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 9.182 -10.987 -6.106 1.00 0.00 N ATOM 101 CA GLY A 42 8.758 -9.638 -6.403 1.00 0.00 C ATOM 102 C GLY A 42 9.923 -8.681 -6.541 1.00 0.00 C ATOM 103 O GLY A 42 10.809 -8.655 -5.682 1.00 0.00 O ATOM 0 HA2 GLY A 42 8.180 -9.637 -7.327 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.095 -9.287 -5.612 1.00 0.00 H new ATOM 107 N PRO A 43 9.960 -7.894 -7.628 1.00 0.00 N ATOM 108 CA PRO A 43 10.980 -6.863 -7.822 1.00 0.00 C ATOM 109 C PRO A 43 10.818 -5.712 -6.832 1.00 0.00 C ATOM 110 O PRO A 43 9.839 -5.677 -6.087 1.00 0.00 O ATOM 111 CB PRO A 43 10.739 -6.383 -9.255 1.00 0.00 C ATOM 112 CG PRO A 43 9.312 -6.702 -9.526 1.00 0.00 C ATOM 113 CD PRO A 43 9.021 -7.962 -8.761 1.00 0.00 C ATOM 0 HA PRO A 43 11.988 -7.244 -7.659 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.931 -5.314 -9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.399 -6.891 -9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.662 -5.889 -9.203 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.139 -6.844 -10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.985 -7.998 -8.424 1.00 0.00 H new ATOM 0 HD3 PRO A 43 9.189 -8.850 -9.370 1.00 0.00 H new ATOM 121 N ILE A 44 11.759 -4.775 -6.835 1.00 0.00 N ATOM 122 CA ILE A 44 11.794 -3.699 -5.838 1.00 0.00 C ATOM 123 C ILE A 44 10.443 -2.987 -5.675 1.00 0.00 C ATOM 124 O ILE A 44 10.029 -2.675 -4.554 1.00 0.00 O ATOM 125 CB ILE A 44 12.892 -2.664 -6.167 1.00 0.00 C ATOM 126 CG1 ILE A 44 12.720 -2.113 -7.587 1.00 0.00 C ATOM 127 CG2 ILE A 44 14.269 -3.290 -5.996 1.00 0.00 C ATOM 128 CD1 ILE A 44 13.776 -1.103 -7.979 1.00 0.00 C ATOM 0 H ILE A 44 12.514 -4.735 -7.519 1.00 0.00 H new ATOM 0 HA ILE A 44 12.026 -4.182 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 44 12.798 -1.829 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 44 12.742 -2.942 -8.294 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.737 -1.649 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.036 -2.552 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 14.391 -3.625 -4.966 1.00 0.00 H new ATOM 0 HG23 ILE A 44 14.368 -4.142 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 44 13.590 -0.758 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 44 13.740 -0.255 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.761 -1.568 -7.929 1.00 0.00 H new ATOM 140 N ARG A 45 9.747 -2.760 -6.786 1.00 0.00 N ATOM 141 CA ARG A 45 8.444 -2.099 -6.753 1.00 0.00 C ATOM 142 C ARG A 45 7.431 -2.938 -5.988 1.00 0.00 C ATOM 143 O ARG A 45 6.686 -2.432 -5.148 1.00 0.00 O ATOM 144 CB ARG A 45 7.942 -1.839 -8.173 1.00 0.00 C ATOM 145 CG ARG A 45 8.831 -0.882 -8.951 1.00 0.00 C ATOM 146 CD ARG A 45 8.286 -0.587 -10.336 1.00 0.00 C ATOM 147 NE ARG A 45 9.095 0.417 -11.025 1.00 0.00 N ATOM 148 CZ ARG A 45 9.049 0.648 -12.333 1.00 0.00 C ATOM 149 NH1 ARG A 45 8.215 -0.037 -13.105 1.00 0.00 N ATOM 150 NH2 ARG A 45 9.832 1.576 -12.864 1.00 0.00 N ATOM 0 H ARG A 45 10.062 -3.023 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 45 8.561 -1.145 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.880 -2.786 -8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.932 -1.432 -8.127 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.930 0.051 -8.396 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.830 -1.308 -9.039 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.265 -1.505 -10.923 1.00 0.00 H new ATOM 0 HD3 ARG A 45 7.257 -0.236 -10.257 1.00 0.00 H new ATOM 0 HE ARG A 45 9.737 0.977 -10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.605 -0.745 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.184 0.144 -14.108 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.466 2.109 -12.269 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.800 1.757 -13.867 1.00 0.00 H new ATOM 164 N MET A 46 7.429 -4.230 -6.268 1.00 0.00 N ATOM 165 CA MET A 46 6.519 -5.150 -5.610 1.00 0.00 C ATOM 166 C MET A 46 6.928 -5.378 -4.160 1.00 0.00 C ATOM 167 O MET A 46 6.101 -5.747 -3.329 1.00 0.00 O ATOM 168 CB MET A 46 6.462 -6.472 -6.370 1.00 0.00 C ATOM 169 CG MET A 46 5.485 -6.457 -7.537 1.00 0.00 C ATOM 170 SD MET A 46 5.582 -7.942 -8.553 1.00 0.00 S ATOM 171 CE MET A 46 5.246 -9.194 -7.321 1.00 0.00 C ATOM 0 H MET A 46 8.050 -4.666 -6.949 1.00 0.00 H new ATOM 0 HA MET A 46 5.523 -4.706 -5.610 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.458 -6.711 -6.743 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.180 -7.267 -5.680 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.470 -6.351 -7.153 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.683 -5.584 -8.159 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.058 -10.148 -7.814 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.105 -9.291 -6.657 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.370 -8.907 -6.740 1.00 0.00 H new ATOM 181 N VAL A 47 8.204 -5.149 -3.862 1.00 0.00 N ATOM 182 CA VAL A 47 8.701 -5.231 -2.493 1.00 0.00 C ATOM 183 C VAL A 47 8.031 -4.176 -1.624 1.00 0.00 C ATOM 184 O VAL A 47 7.543 -4.476 -0.540 1.00 0.00 O ATOM 185 CB VAL A 47 10.234 -5.054 -2.423 1.00 0.00 C ATOM 186 CG1 VAL A 47 10.721 -5.035 -0.979 1.00 0.00 C ATOM 187 CG2 VAL A 47 10.928 -6.161 -3.195 1.00 0.00 C ATOM 0 H VAL A 47 8.914 -4.905 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 47 8.457 -6.226 -2.122 1.00 0.00 H new ATOM 0 HB VAL A 47 10.483 -4.095 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.804 -4.909 -0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.251 -4.208 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.457 -5.975 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 47 12.008 -6.023 -3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 10.662 -7.127 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.614 -6.129 -4.238 1.00 0.00 H new ATOM 197 N LEU A 48 7.995 -2.942 -2.113 1.00 0.00 N ATOM 198 CA LEU A 48 7.344 -1.862 -1.380 1.00 0.00 C ATOM 199 C LEU A 48 5.837 -2.093 -1.305 1.00 0.00 C ATOM 200 O LEU A 48 5.192 -1.730 -0.319 1.00 0.00 O ATOM 201 CB LEU A 48 7.641 -0.505 -2.024 1.00 0.00 C ATOM 202 CG LEU A 48 9.113 -0.081 -2.008 1.00 0.00 C ATOM 203 CD1 LEU A 48 9.267 1.321 -2.572 1.00 0.00 C ATOM 204 CD2 LEU A 48 9.678 -0.148 -0.597 1.00 0.00 C ATOM 0 H LEU A 48 8.405 -2.665 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 48 7.746 -1.856 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.298 -0.529 -3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.055 0.258 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 48 9.674 -0.773 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.319 1.607 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.903 1.342 -3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.690 2.021 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.724 0.157 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.113 0.520 0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.602 -1.169 -0.223 1.00 0.00 H new ATOM 216 N ALA A 49 5.285 -2.706 -2.347 1.00 0.00 N ATOM 217 CA ALA A 49 3.865 -3.034 -2.378 1.00 0.00 C ATOM 218 C ALA A 49 3.511 -4.057 -1.299 1.00 0.00 C ATOM 219 O ALA A 49 2.591 -3.843 -0.506 1.00 0.00 O ATOM 220 CB ALA A 49 3.473 -3.552 -3.752 1.00 0.00 C ATOM 0 H ALA A 49 5.800 -2.986 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 49 3.303 -2.123 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.410 -3.793 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.678 -2.787 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.050 -4.448 -3.981 1.00 0.00 H new ATOM 226 N ILE A 50 4.252 -5.163 -1.260 1.00 0.00 N ATOM 227 CA ILE A 50 4.004 -6.206 -0.271 1.00 0.00 C ATOM 228 C ILE A 50 4.430 -5.732 1.117 1.00 0.00 C ATOM 229 O ILE A 50 3.928 -6.213 2.134 1.00 0.00 O ATOM 230 CB ILE A 50 4.723 -7.531 -0.631 1.00 0.00 C ATOM 231 CG1 ILE A 50 4.281 -8.656 0.312 1.00 0.00 C ATOM 232 CG2 ILE A 50 6.233 -7.361 -0.588 1.00 0.00 C ATOM 233 CD1 ILE A 50 4.883 -10.005 -0.018 1.00 0.00 C ATOM 0 H ILE A 50 5.024 -5.358 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 50 2.933 -6.406 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 50 4.443 -7.802 -1.649 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.552 -8.388 1.333 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.194 -8.737 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.713 -8.305 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.533 -6.595 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.537 -7.060 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.523 -10.748 0.693 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.591 -10.297 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.970 -9.943 0.042 1.00 0.00 H new ATOM 245 N LEU A 51 5.348 -4.775 1.150 1.00 0.00 N ATOM 246 CA LEU A 51 5.761 -4.157 2.398 1.00 0.00 C ATOM 247 C LEU A 51 4.568 -3.488 3.063 1.00 0.00 C ATOM 248 O LEU A 51 4.221 -3.818 4.193 1.00 0.00 O ATOM 249 CB LEU A 51 6.855 -3.121 2.152 1.00 0.00 C ATOM 250 CG LEU A 51 7.390 -2.436 3.407 1.00 0.00 C ATOM 251 CD1 LEU A 51 8.399 -3.325 4.123 1.00 0.00 C ATOM 252 CD2 LEU A 51 7.999 -1.094 3.053 1.00 0.00 C ATOM 0 H LEU A 51 5.821 -4.411 0.323 1.00 0.00 H new ATOM 0 HA LEU A 51 6.156 -4.934 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.685 -3.607 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.467 -2.358 1.478 1.00 0.00 H new ATOM 0 HG LEU A 51 6.558 -2.265 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.766 -2.815 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.919 -4.260 4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.235 -3.537 3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.377 -0.616 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.819 -1.241 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.240 -0.459 2.597 1.00 0.00 H new ATOM 264 N ALA A 52 3.933 -2.561 2.342 1.00 0.00 N ATOM 265 CA ALA A 52 2.756 -1.862 2.850 1.00 0.00 C ATOM 266 C ALA A 52 1.654 -2.852 3.188 1.00 0.00 C ATOM 267 O ALA A 52 0.934 -2.684 4.174 1.00 0.00 O ATOM 268 CB ALA A 52 2.248 -0.850 1.840 1.00 0.00 C ATOM 0 H ALA A 52 4.217 -2.279 1.404 1.00 0.00 H new ATOM 0 HA ALA A 52 3.047 -1.331 3.756 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.371 -0.343 2.242 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.029 -0.117 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.979 -1.362 0.916 1.00 0.00 H new ATOM 274 N PHE A 53 1.531 -3.879 2.357 1.00 0.00 N ATOM 275 CA PHE A 53 0.619 -4.978 2.622 1.00 0.00 C ATOM 276 C PHE A 53 0.851 -5.516 4.027 1.00 0.00 C ATOM 277 O PHE A 53 -0.024 -5.436 4.882 1.00 0.00 O ATOM 278 CB PHE A 53 0.826 -6.085 1.581 1.00 0.00 C ATOM 279 CG PHE A 53 0.070 -7.356 1.859 1.00 0.00 C ATOM 280 CD1 PHE A 53 0.753 -8.542 2.078 1.00 0.00 C ATOM 281 CD2 PHE A 53 -1.314 -7.368 1.901 1.00 0.00 C ATOM 282 CE1 PHE A 53 0.071 -9.715 2.333 1.00 0.00 C ATOM 283 CE2 PHE A 53 -2.001 -8.540 2.156 1.00 0.00 C ATOM 284 CZ PHE A 53 -1.308 -9.714 2.372 1.00 0.00 C ATOM 0 H PHE A 53 2.057 -3.971 1.488 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.408 -4.620 2.553 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.527 -5.707 0.603 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.890 -6.316 1.522 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.833 -8.549 2.049 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.862 -6.453 1.733 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.616 -10.632 2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.081 -8.537 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.844 -10.630 2.571 1.00 0.00 H new ATOM 294 N LEU A 54 2.054 -6.006 4.271 1.00 0.00 N ATOM 295 CA LEU A 54 2.407 -6.595 5.557 1.00 0.00 C ATOM 296 C LEU A 54 2.450 -5.548 6.672 1.00 0.00 C ATOM 297 O LEU A 54 2.431 -5.891 7.850 1.00 0.00 O ATOM 298 CB LEU A 54 3.755 -7.308 5.448 1.00 0.00 C ATOM 299 CG LEU A 54 3.801 -8.476 4.458 1.00 0.00 C ATOM 300 CD1 LEU A 54 5.224 -8.995 4.303 1.00 0.00 C ATOM 301 CD2 LEU A 54 2.876 -9.597 4.910 1.00 0.00 C ATOM 0 H LEU A 54 2.812 -6.008 3.589 1.00 0.00 H new ATOM 0 HA LEU A 54 1.633 -7.316 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.511 -6.578 5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.032 -7.679 6.435 1.00 0.00 H new ATOM 0 HG LEU A 54 3.459 -8.113 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.234 -9.824 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.865 -8.195 3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.593 -9.338 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.922 -10.418 4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.189 -9.953 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.854 -9.224 4.968 1.00 0.00 H new ATOM 313 N ARG A 55 2.505 -4.277 6.300 1.00 0.00 N ATOM 314 CA ARG A 55 2.499 -3.190 7.273 1.00 0.00 C ATOM 315 C ARG A 55 1.113 -2.975 7.849 1.00 0.00 C ATOM 316 O ARG A 55 0.944 -2.836 9.060 1.00 0.00 O ATOM 317 CB ARG A 55 2.981 -1.890 6.633 1.00 0.00 C ATOM 318 CG ARG A 55 4.477 -1.840 6.427 1.00 0.00 C ATOM 319 CD ARG A 55 5.198 -1.635 7.744 1.00 0.00 C ATOM 320 NE ARG A 55 4.908 -0.321 8.323 1.00 0.00 N ATOM 321 CZ ARG A 55 5.063 -0.017 9.610 1.00 0.00 C ATOM 322 NH1 ARG A 55 5.460 -0.943 10.474 1.00 0.00 N ATOM 323 NH2 ARG A 55 4.809 1.213 10.037 1.00 0.00 N ATOM 0 H ARG A 55 2.554 -3.971 5.328 1.00 0.00 H new ATOM 0 HA ARG A 55 3.177 -3.473 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.485 -1.762 5.671 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.680 -1.051 7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.815 -2.766 5.963 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.727 -1.030 5.741 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.902 -2.415 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.272 -1.735 7.590 1.00 0.00 H new ATOM 0 HE ARG A 55 4.565 0.409 7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 5.648 -1.893 10.153 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.577 -0.705 11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.495 1.926 9.379 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.928 1.445 11.023 1.00 0.00 H new ATOM 337 N PHE A 56 0.122 -2.943 6.978 1.00 0.00 N ATOM 338 CA PHE A 56 -1.235 -2.630 7.389 1.00 0.00 C ATOM 339 C PHE A 56 -2.050 -3.891 7.631 1.00 0.00 C ATOM 340 O PHE A 56 -3.186 -3.824 8.102 1.00 0.00 O ATOM 341 CB PHE A 56 -1.901 -1.731 6.346 1.00 0.00 C ATOM 342 CG PHE A 56 -1.296 -0.357 6.301 1.00 0.00 C ATOM 343 CD1 PHE A 56 -1.845 0.677 7.038 1.00 0.00 C ATOM 344 CD2 PHE A 56 -0.164 -0.107 5.542 1.00 0.00 C ATOM 345 CE1 PHE A 56 -1.278 1.935 7.018 1.00 0.00 C ATOM 346 CE2 PHE A 56 0.404 1.150 5.515 1.00 0.00 C ATOM 347 CZ PHE A 56 -0.153 2.172 6.255 1.00 0.00 C ATOM 0 H PHE A 56 0.231 -3.130 5.981 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.192 -2.093 8.336 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.815 -2.195 5.363 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.965 -1.649 6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.727 0.498 7.635 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.279 -0.905 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.715 2.734 7.599 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.283 1.333 4.915 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.291 3.156 6.237 1.00 0.00 H new ATOM 357 N THR A 57 -1.473 -5.041 7.315 1.00 0.00 N ATOM 358 CA THR A 57 -2.134 -6.307 7.610 1.00 0.00 C ATOM 359 C THR A 57 -1.532 -6.968 8.843 1.00 0.00 C ATOM 360 O THR A 57 -2.237 -7.596 9.633 1.00 0.00 O ATOM 361 CB THR A 57 -2.063 -7.301 6.427 1.00 0.00 C ATOM 362 OG1 THR A 57 -0.700 -7.608 6.122 1.00 0.00 O ATOM 363 CG2 THR A 57 -2.740 -6.739 5.185 1.00 0.00 C ATOM 0 H THR A 57 -0.563 -5.126 6.862 1.00 0.00 H new ATOM 0 HA THR A 57 -3.180 -6.063 7.794 1.00 0.00 H new ATOM 0 HB THR A 57 -2.589 -8.207 6.728 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.383 -7.015 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.671 -7.464 4.374 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.789 -6.536 5.402 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.246 -5.814 4.888 1.00 0.00 H new ATOM 371 N ALA A 58 -0.235 -6.793 9.019 1.00 0.00 N ATOM 372 CA ALA A 58 0.501 -7.514 10.046 1.00 0.00 C ATOM 373 C ALA A 58 1.456 -6.596 10.800 1.00 0.00 C ATOM 374 O ALA A 58 1.489 -5.384 10.572 1.00 0.00 O ATOM 375 CB ALA A 58 1.270 -8.662 9.409 1.00 0.00 C ATOM 0 H ALA A 58 0.334 -6.155 8.462 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.216 -7.907 10.767 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.821 -9.202 10.179 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.571 -9.341 8.919 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.969 -8.267 8.672 1.00 0.00 H new ATOM 381 N ILE A 59 2.220 -7.183 11.709 1.00 0.00 N ATOM 382 CA ILE A 59 3.203 -6.448 12.488 1.00 0.00 C ATOM 383 C ILE A 59 4.606 -6.955 12.166 1.00 0.00 C ATOM 384 O ILE A 59 4.857 -8.162 12.221 1.00 0.00 O ATOM 385 CB ILE A 59 2.937 -6.589 14.004 1.00 0.00 C ATOM 386 CG1 ILE A 59 1.533 -6.080 14.345 1.00 0.00 C ATOM 387 CG2 ILE A 59 3.990 -5.834 14.805 1.00 0.00 C ATOM 388 CD1 ILE A 59 1.157 -6.255 15.801 1.00 0.00 C ATOM 0 H ILE A 59 2.176 -8.179 11.926 1.00 0.00 H new ATOM 0 HA ILE A 59 3.122 -5.394 12.223 1.00 0.00 H new ATOM 0 HB ILE A 59 2.998 -7.644 14.271 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.467 -5.023 14.087 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.806 -6.605 13.726 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.786 -5.945 15.870 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.977 -6.238 14.581 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.962 -4.777 14.538 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.150 -5.872 15.965 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.189 -7.313 16.060 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.861 -5.706 16.427 1.00 0.00 H new ATOM 400 N LYS A 60 5.502 -6.028 11.818 1.00 0.00 N ATOM 401 CA LYS A 60 6.876 -6.358 11.431 1.00 0.00 C ATOM 402 C LYS A 60 6.872 -7.325 10.248 1.00 0.00 C ATOM 403 O LYS A 60 6.978 -8.539 10.426 1.00 0.00 O ATOM 404 CB LYS A 60 7.657 -6.950 12.612 1.00 0.00 C ATOM 405 CG LYS A 60 9.141 -7.137 12.332 1.00 0.00 C ATOM 406 CD LYS A 60 9.860 -7.755 13.522 1.00 0.00 C ATOM 407 CE LYS A 60 11.353 -7.888 13.265 1.00 0.00 C ATOM 408 NZ LYS A 60 12.060 -8.524 14.407 1.00 0.00 N ATOM 0 H LYS A 60 5.296 -5.029 11.797 1.00 0.00 H new ATOM 0 HA LYS A 60 7.377 -5.438 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.539 -6.298 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.222 -7.914 12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.270 -7.774 11.457 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.592 -6.173 12.094 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.696 -7.140 14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.437 -8.737 13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.514 -8.480 12.364 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.778 -6.902 13.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.075 -8.596 14.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.928 -7.947 15.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.673 -9.476 14.569 1.00 0.00 H new ATOM 422 N PRO A 61 6.748 -6.773 9.024 1.00 0.00 N ATOM 423 CA PRO A 61 6.492 -7.541 7.798 1.00 0.00 C ATOM 424 C PRO A 61 7.268 -8.856 7.691 1.00 0.00 C ATOM 425 O PRO A 61 6.738 -9.921 8.014 1.00 0.00 O ATOM 426 CB PRO A 61 6.910 -6.569 6.696 1.00 0.00 C ATOM 427 CG PRO A 61 6.607 -5.225 7.259 1.00 0.00 C ATOM 428 CD PRO A 61 6.855 -5.326 8.743 1.00 0.00 C ATOM 0 HA PRO A 61 5.453 -7.867 7.751 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.968 -6.671 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.356 -6.749 5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.242 -4.462 6.809 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.575 -4.941 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.838 -4.939 9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.121 -4.754 9.310 1.00 0.00 H new ATOM 436 N SER A 62 8.518 -8.775 7.253 1.00 0.00 N ATOM 437 CA SER A 62 9.358 -9.950 7.046 1.00 0.00 C ATOM 438 C SER A 62 10.802 -9.511 6.864 1.00 0.00 C ATOM 439 O SER A 62 11.079 -8.555 6.142 1.00 0.00 O ATOM 440 CB SER A 62 8.900 -10.729 5.807 1.00 0.00 C ATOM 441 OG SER A 62 7.617 -11.304 5.985 1.00 0.00 O ATOM 0 H SER A 62 8.979 -7.893 7.031 1.00 0.00 H new ATOM 0 HA SER A 62 9.274 -10.600 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.882 -10.061 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 62 9.622 -11.515 5.586 1.00 0.00 H new ATOM 0 HG SER A 62 7.324 -11.170 6.911 1.00 0.00 H new ATOM 447 N LEU A 63 11.714 -10.218 7.522 1.00 0.00 N ATOM 448 CA LEU A 63 13.128 -9.859 7.511 1.00 0.00 C ATOM 449 C LEU A 63 13.725 -9.974 6.112 1.00 0.00 C ATOM 450 O LEU A 63 14.635 -9.230 5.762 1.00 0.00 O ATOM 451 CB LEU A 63 13.924 -10.728 8.494 1.00 0.00 C ATOM 452 CG LEU A 63 13.838 -10.319 9.972 1.00 0.00 C ATOM 453 CD1 LEU A 63 14.349 -8.900 10.167 1.00 0.00 C ATOM 454 CD2 LEU A 63 12.415 -10.444 10.492 1.00 0.00 C ATOM 0 H LEU A 63 11.498 -11.048 8.073 1.00 0.00 H new ATOM 0 HA LEU A 63 13.197 -8.818 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.578 -11.757 8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 63 14.972 -10.715 8.194 1.00 0.00 H new ATOM 0 HG LEU A 63 14.470 -10.998 10.544 1.00 0.00 H new ATOM 0 HD11 LEU A 63 14.279 -8.630 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.389 -8.840 9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 63 13.746 -8.211 9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.384 -10.148 11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.758 -9.796 9.912 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.082 -11.478 10.396 1.00 0.00 H new ATOM 466 N GLY A 64 13.208 -10.903 5.316 1.00 0.00 N ATOM 467 CA GLY A 64 13.670 -11.042 3.946 1.00 0.00 C ATOM 468 C GLY A 64 13.264 -9.855 3.095 1.00 0.00 C ATOM 469 O GLY A 64 14.045 -9.361 2.272 1.00 0.00 O ATOM 0 H GLY A 64 12.479 -11.561 5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 64 14.755 -11.143 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.261 -11.956 3.515 1.00 0.00 H new ATOM 473 N LEU A 65 12.042 -9.385 3.306 1.00 0.00 N ATOM 474 CA LEU A 65 11.542 -8.212 2.607 1.00 0.00 C ATOM 475 C LEU A 65 12.297 -6.969 3.060 1.00 0.00 C ATOM 476 O LEU A 65 12.610 -6.100 2.254 1.00 0.00 O ATOM 477 CB LEU A 65 10.035 -8.043 2.840 1.00 0.00 C ATOM 478 CG LEU A 65 9.119 -8.910 1.959 1.00 0.00 C ATOM 479 CD1 LEU A 65 9.308 -8.560 0.491 1.00 0.00 C ATOM 480 CD2 LEU A 65 9.370 -10.396 2.179 1.00 0.00 C ATOM 0 H LEU A 65 11.377 -9.801 3.959 1.00 0.00 H new ATOM 0 HA LEU A 65 11.706 -8.349 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.821 -8.267 3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.777 -6.996 2.679 1.00 0.00 H new ATOM 0 HG LEU A 65 8.090 -8.698 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.653 -9.182 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.062 -7.510 0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.345 -8.737 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.705 -10.976 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.406 -10.630 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.180 -10.647 3.223 1.00 0.00 H new ATOM 492 N ILE A 66 12.606 -6.910 4.351 1.00 0.00 N ATOM 493 CA ILE A 66 13.390 -5.810 4.910 1.00 0.00 C ATOM 494 C ILE A 66 14.817 -5.841 4.360 1.00 0.00 C ATOM 495 O ILE A 66 15.455 -4.802 4.177 1.00 0.00 O ATOM 496 CB ILE A 66 13.425 -5.877 6.455 1.00 0.00 C ATOM 497 CG1 ILE A 66 12.004 -5.808 7.016 1.00 0.00 C ATOM 498 CG2 ILE A 66 14.286 -4.761 7.036 1.00 0.00 C ATOM 499 CD1 ILE A 66 11.277 -4.514 6.708 1.00 0.00 C ATOM 0 H ILE A 66 12.325 -7.613 5.034 1.00 0.00 H new ATOM 0 HA ILE A 66 12.910 -4.876 4.616 1.00 0.00 H new ATOM 0 HB ILE A 66 13.873 -6.827 6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.426 -6.641 6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.045 -5.940 8.097 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.291 -4.834 8.124 1.00 0.00 H new ATOM 0 HG22 ILE A 66 15.305 -4.855 6.661 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.878 -3.795 6.739 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.277 -4.546 7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.830 -3.676 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.201 -4.388 5.628 1.00 0.00 H new ATOM 511 N ASN A 67 15.305 -7.043 4.090 1.00 0.00 N ATOM 512 CA ASN A 67 16.625 -7.221 3.494 1.00 0.00 C ATOM 513 C ASN A 67 16.682 -6.582 2.111 1.00 0.00 C ATOM 514 O ASN A 67 17.645 -5.894 1.774 1.00 0.00 O ATOM 515 CB ASN A 67 16.977 -8.709 3.392 1.00 0.00 C ATOM 516 CG ASN A 67 18.320 -8.948 2.724 1.00 0.00 C ATOM 517 OD1 ASN A 67 18.406 -9.098 1.503 1.00 0.00 O ATOM 518 ND2 ASN A 67 19.376 -8.988 3.516 1.00 0.00 N ATOM 0 H ASN A 67 14.806 -7.913 4.274 1.00 0.00 H new ATOM 0 HA ASN A 67 17.353 -6.730 4.140 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.990 -9.145 4.391 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.199 -9.225 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 67 20.303 -9.147 3.122 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.264 -8.859 4.522 1.00 0.00 H new ATOM 525 N ARG A 68 15.638 -6.793 1.318 1.00 0.00 N ATOM 526 CA ARG A 68 15.601 -6.248 -0.039 1.00 0.00 C ATOM 527 C ARG A 68 15.079 -4.812 -0.024 1.00 0.00 C ATOM 528 O ARG A 68 15.235 -4.067 -0.989 1.00 0.00 O ATOM 529 CB ARG A 68 14.741 -7.129 -0.952 1.00 0.00 C ATOM 530 CG ARG A 68 14.723 -6.669 -2.402 1.00 0.00 C ATOM 531 CD ARG A 68 14.029 -7.676 -3.301 1.00 0.00 C ATOM 532 NE ARG A 68 14.766 -8.933 -3.378 1.00 0.00 N ATOM 533 CZ ARG A 68 14.358 -9.994 -4.069 1.00 0.00 C ATOM 534 NH1 ARG A 68 13.210 -9.962 -4.735 1.00 0.00 N ATOM 535 NH2 ARG A 68 15.102 -11.090 -4.093 1.00 0.00 N ATOM 0 H ARG A 68 14.813 -7.331 1.584 1.00 0.00 H new ATOM 0 HA ARG A 68 16.617 -6.239 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 68 15.112 -8.153 -0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.720 -7.144 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 68 14.215 -5.707 -2.473 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.745 -6.516 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.024 -7.867 -2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.921 -7.256 -4.301 1.00 0.00 H new ATOM 0 HE ARG A 68 15.648 -9.002 -2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.634 -9.120 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.904 -10.779 -5.263 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.985 -11.118 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.792 -11.905 -4.622 1.00 0.00 H new ATOM 549 N TRP A 69 14.482 -4.438 1.093 1.00 0.00 N ATOM 550 CA TRP A 69 13.934 -3.103 1.296 1.00 0.00 C ATOM 551 C TRP A 69 15.009 -2.037 1.091 1.00 0.00 C ATOM 552 O TRP A 69 14.810 -1.070 0.359 1.00 0.00 O ATOM 553 CB TRP A 69 13.371 -3.038 2.712 1.00 0.00 C ATOM 554 CG TRP A 69 12.527 -1.845 3.020 1.00 0.00 C ATOM 555 CD1 TRP A 69 11.532 -1.317 2.258 1.00 0.00 C ATOM 556 CD2 TRP A 69 12.577 -1.063 4.213 1.00 0.00 C ATOM 557 NE1 TRP A 69 10.958 -0.252 2.907 1.00 0.00 N ATOM 558 CE2 TRP A 69 11.582 -0.078 4.111 1.00 0.00 C ATOM 559 CE3 TRP A 69 13.369 -1.104 5.357 1.00 0.00 C ATOM 560 CZ2 TRP A 69 11.355 0.856 5.114 1.00 0.00 C ATOM 561 CZ3 TRP A 69 13.146 -0.177 6.354 1.00 0.00 C ATOM 562 CH2 TRP A 69 12.142 0.789 6.228 1.00 0.00 C ATOM 0 H TRP A 69 14.361 -5.057 1.895 1.00 0.00 H new ATOM 0 HA TRP A 69 13.145 -2.908 0.569 1.00 0.00 H new ATOM 0 HB2 TRP A 69 12.778 -3.935 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 69 14.203 -3.063 3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 69 11.237 -1.682 1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 69 10.191 0.317 2.549 1.00 0.00 H new ATOM 0 HE3 TRP A 69 14.144 -1.848 5.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 10.585 1.607 5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 13.756 -0.197 7.245 1.00 0.00 H new ATOM 0 HH2 TRP A 69 11.986 1.497 7.029 1.00 0.00 H new ATOM 573 N GLY A 70 16.161 -2.241 1.718 1.00 0.00 N ATOM 574 CA GLY A 70 17.265 -1.309 1.571 1.00 0.00 C ATOM 575 C GLY A 70 18.003 -1.486 0.257 1.00 0.00 C ATOM 576 O GLY A 70 18.934 -0.738 -0.049 1.00 0.00 O ATOM 0 H GLY A 70 16.352 -3.037 2.327 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.887 -0.289 1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 70 17.963 -1.444 2.397 1.00 0.00 H new ATOM 580 N SER A 71 17.590 -2.478 -0.520 1.00 0.00 N ATOM 581 CA SER A 71 18.186 -2.734 -1.820 1.00 0.00 C ATOM 582 C SER A 71 17.416 -1.974 -2.897 1.00 0.00 C ATOM 583 O SER A 71 17.881 -1.832 -4.029 1.00 0.00 O ATOM 584 CB SER A 71 18.185 -4.238 -2.117 1.00 0.00 C ATOM 585 OG SER A 71 18.894 -4.540 -3.309 1.00 0.00 O ATOM 0 H SER A 71 16.839 -3.121 -0.269 1.00 0.00 H new ATOM 0 HA SER A 71 19.219 -2.387 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.634 -4.774 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.157 -4.590 -2.206 1.00 0.00 H new ATOM 0 HG SER A 71 18.709 -3.853 -3.983 1.00 0.00 H new ATOM 591 N VAL A 72 16.233 -1.492 -2.532 1.00 0.00 N ATOM 592 CA VAL A 72 15.428 -0.675 -3.426 1.00 0.00 C ATOM 593 C VAL A 72 16.103 0.672 -3.633 1.00 0.00 C ATOM 594 O VAL A 72 16.525 1.312 -2.666 1.00 0.00 O ATOM 595 CB VAL A 72 14.007 -0.440 -2.858 1.00 0.00 C ATOM 596 CG1 VAL A 72 13.173 0.428 -3.796 1.00 0.00 C ATOM 597 CG2 VAL A 72 13.308 -1.764 -2.587 1.00 0.00 C ATOM 0 H VAL A 72 15.811 -1.655 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 72 15.339 -1.208 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 72 14.111 0.093 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.181 0.575 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 72 13.659 1.395 -3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.083 -0.065 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.311 -1.574 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 72 13.226 -2.329 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 72 13.885 -2.339 -1.863 1.00 0.00 H new ATOM 607 N GLY A 73 16.234 1.085 -4.888 1.00 0.00 N ATOM 608 CA GLY A 73 16.778 2.388 -5.170 1.00 0.00 C ATOM 609 C GLY A 73 15.913 3.461 -4.566 1.00 0.00 C ATOM 610 O GLY A 73 14.724 3.529 -4.858 1.00 0.00 O ATOM 0 H GLY A 73 15.973 0.539 -5.709 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.790 2.461 -4.771 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.849 2.534 -6.248 1.00 0.00 H new ATOM 614 N LYS A 74 16.496 4.281 -3.708 1.00 0.00 N ATOM 615 CA LYS A 74 15.741 5.302 -2.998 1.00 0.00 C ATOM 616 C LYS A 74 15.069 6.265 -3.971 1.00 0.00 C ATOM 617 O LYS A 74 13.987 6.771 -3.697 1.00 0.00 O ATOM 618 CB LYS A 74 16.641 6.044 -2.007 1.00 0.00 C ATOM 619 CG LYS A 74 17.970 6.492 -2.591 1.00 0.00 C ATOM 620 CD LYS A 74 18.901 7.017 -1.512 1.00 0.00 C ATOM 621 CE LYS A 74 18.350 8.264 -0.851 1.00 0.00 C ATOM 622 NZ LYS A 74 18.193 9.387 -1.813 1.00 0.00 N ATOM 0 H LYS A 74 17.491 4.260 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 74 14.951 4.810 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 74 16.108 6.918 -1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.832 5.396 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 74 18.443 5.656 -3.106 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.798 7.270 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 74 19.056 6.245 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.875 7.237 -1.948 1.00 0.00 H new ATOM 0 HE2 LYS A 74 17.384 8.037 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 74 19.016 8.570 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 18.028 10.271 -1.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 19.058 9.479 -2.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.384 9.198 -2.438 1.00 0.00 H new ATOM 636 N LYS A 75 15.701 6.492 -5.117 1.00 0.00 N ATOM 637 CA LYS A 75 15.092 7.284 -6.179 1.00 0.00 C ATOM 638 C LYS A 75 13.847 6.581 -6.710 1.00 0.00 C ATOM 639 O LYS A 75 12.787 7.194 -6.853 1.00 0.00 O ATOM 640 CB LYS A 75 16.096 7.507 -7.310 1.00 0.00 C ATOM 641 CG LYS A 75 15.489 8.098 -8.576 1.00 0.00 C ATOM 642 CD LYS A 75 14.930 9.495 -8.349 1.00 0.00 C ATOM 643 CE LYS A 75 14.220 10.004 -9.593 1.00 0.00 C ATOM 644 NZ LYS A 75 13.716 11.392 -9.424 1.00 0.00 N ATOM 0 H LYS A 75 16.633 6.139 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 75 14.801 8.253 -5.773 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.885 8.170 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.566 6.555 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 75 16.248 8.135 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.694 7.444 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.235 9.481 -7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.739 10.176 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 75 14.905 9.969 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.386 9.343 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.239 11.697 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.042 11.423 -8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.513 12.029 -9.224 1.00 0.00 H new ATOM 658 N GLU A 76 13.988 5.290 -6.984 1.00 0.00 N ATOM 659 CA GLU A 76 12.876 4.476 -7.452 1.00 0.00 C ATOM 660 C GLU A 76 11.766 4.479 -6.409 1.00 0.00 C ATOM 661 O GLU A 76 10.597 4.659 -6.736 1.00 0.00 O ATOM 662 CB GLU A 76 13.347 3.044 -7.717 1.00 0.00 C ATOM 663 CG GLU A 76 12.301 2.155 -8.374 1.00 0.00 C ATOM 664 CD GLU A 76 11.976 2.583 -9.789 1.00 0.00 C ATOM 665 OE1 GLU A 76 12.914 2.915 -10.543 1.00 0.00 O ATOM 666 OE2 GLU A 76 10.785 2.573 -10.163 1.00 0.00 O ATOM 0 H GLU A 76 14.868 4.783 -6.889 1.00 0.00 H new ATOM 0 HA GLU A 76 12.493 4.894 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.232 3.076 -8.353 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.650 2.592 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 76 12.659 1.126 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.390 2.170 -7.776 1.00 0.00 H new ATOM 673 N ALA A 77 12.155 4.306 -5.147 1.00 0.00 N ATOM 674 CA ALA A 77 11.215 4.321 -4.035 1.00 0.00 C ATOM 675 C ALA A 77 10.437 5.633 -4.003 1.00 0.00 C ATOM 676 O ALA A 77 9.224 5.637 -3.817 1.00 0.00 O ATOM 677 CB ALA A 77 11.950 4.107 -2.719 1.00 0.00 C ATOM 0 H ALA A 77 13.125 4.153 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 77 10.505 3.506 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.235 4.121 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.461 3.144 -2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.681 4.903 -2.577 1.00 0.00 H new ATOM 683 N MET A 78 11.148 6.741 -4.204 1.00 0.00 N ATOM 684 CA MET A 78 10.531 8.067 -4.253 1.00 0.00 C ATOM 685 C MET A 78 9.433 8.113 -5.309 1.00 0.00 C ATOM 686 O MET A 78 8.360 8.683 -5.085 1.00 0.00 O ATOM 687 CB MET A 78 11.586 9.135 -4.567 1.00 0.00 C ATOM 688 CG MET A 78 12.608 9.346 -3.460 1.00 0.00 C ATOM 689 SD MET A 78 12.001 10.397 -2.128 1.00 0.00 S ATOM 690 CE MET A 78 11.913 11.971 -2.976 1.00 0.00 C ATOM 0 H MET A 78 12.159 6.747 -4.337 1.00 0.00 H new ATOM 0 HA MET A 78 10.091 8.270 -3.276 1.00 0.00 H new ATOM 0 HB2 MET A 78 12.110 8.855 -5.481 1.00 0.00 H new ATOM 0 HB3 MET A 78 11.082 10.081 -4.766 1.00 0.00 H new ATOM 0 HG2 MET A 78 12.895 8.378 -3.049 1.00 0.00 H new ATOM 0 HG3 MET A 78 13.508 9.791 -3.885 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.958 12.780 -2.247 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.751 12.059 -3.668 1.00 0.00 H new ATOM 0 HE3 MET A 78 10.977 12.034 -3.530 1.00 0.00 H new ATOM 700 N GLU A 79 9.709 7.512 -6.459 1.00 0.00 N ATOM 701 CA GLU A 79 8.755 7.483 -7.559 1.00 0.00 C ATOM 702 C GLU A 79 7.614 6.515 -7.264 1.00 0.00 C ATOM 703 O GLU A 79 6.449 6.809 -7.547 1.00 0.00 O ATOM 704 CB GLU A 79 9.456 7.098 -8.861 1.00 0.00 C ATOM 705 CG GLU A 79 10.576 8.052 -9.236 1.00 0.00 C ATOM 706 CD GLU A 79 11.173 7.756 -10.594 1.00 0.00 C ATOM 707 OE1 GLU A 79 11.962 6.799 -10.709 1.00 0.00 O ATOM 708 OE2 GLU A 79 10.862 8.491 -11.554 1.00 0.00 O ATOM 0 H GLU A 79 10.590 7.036 -6.654 1.00 0.00 H new ATOM 0 HA GLU A 79 8.334 8.482 -7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.861 6.091 -8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.723 7.071 -9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.195 9.073 -9.227 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.360 7.998 -8.481 1.00 0.00 H new ATOM 715 N ILE A 80 7.955 5.367 -6.690 1.00 0.00 N ATOM 716 CA ILE A 80 6.965 4.364 -6.315 1.00 0.00 C ATOM 717 C ILE A 80 5.986 4.933 -5.294 1.00 0.00 C ATOM 718 O ILE A 80 4.776 4.853 -5.475 1.00 0.00 O ATOM 719 CB ILE A 80 7.630 3.102 -5.724 1.00 0.00 C ATOM 720 CG1 ILE A 80 8.552 2.449 -6.755 1.00 0.00 C ATOM 721 CG2 ILE A 80 6.571 2.109 -5.256 1.00 0.00 C ATOM 722 CD1 ILE A 80 9.441 1.374 -6.170 1.00 0.00 C ATOM 0 H ILE A 80 8.917 5.106 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 80 6.431 4.086 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 80 8.229 3.401 -4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 80 7.946 2.016 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.176 3.217 -7.212 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.058 1.226 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.950 2.573 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.947 1.817 -6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.068 0.953 -6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.072 1.807 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 80 8.824 0.586 -5.738 1.00 0.00 H new ATOM 734 N ILE A 81 6.523 5.525 -4.235 1.00 0.00 N ATOM 735 CA ILE A 81 5.705 6.087 -3.169 1.00 0.00 C ATOM 736 C ILE A 81 4.827 7.225 -3.693 1.00 0.00 C ATOM 737 O ILE A 81 3.675 7.372 -3.279 1.00 0.00 O ATOM 738 CB ILE A 81 6.585 6.587 -1.999 1.00 0.00 C ATOM 739 CG1 ILE A 81 7.367 5.420 -1.381 1.00 0.00 C ATOM 740 CG2 ILE A 81 5.745 7.286 -0.941 1.00 0.00 C ATOM 741 CD1 ILE A 81 6.495 4.304 -0.841 1.00 0.00 C ATOM 0 H ILE A 81 7.528 5.628 -4.091 1.00 0.00 H new ATOM 0 HA ILE A 81 5.056 5.293 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 81 7.295 7.312 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.039 5.009 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.990 5.803 -0.573 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.390 7.627 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.238 8.142 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.004 6.591 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.126 3.520 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.841 4.697 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.891 3.891 -1.649 1.00 0.00 H new ATOM 753 N LYS A 82 5.365 8.010 -4.621 1.00 0.00 N ATOM 754 CA LYS A 82 4.611 9.104 -5.225 1.00 0.00 C ATOM 755 C LYS A 82 3.381 8.557 -5.949 1.00 0.00 C ATOM 756 O LYS A 82 2.251 8.976 -5.685 1.00 0.00 O ATOM 757 CB LYS A 82 5.509 9.892 -6.196 1.00 0.00 C ATOM 758 CG LYS A 82 4.945 11.244 -6.634 1.00 0.00 C ATOM 759 CD LYS A 82 3.890 11.123 -7.729 1.00 0.00 C ATOM 760 CE LYS A 82 4.486 10.661 -9.053 1.00 0.00 C ATOM 761 NZ LYS A 82 5.457 11.643 -9.609 1.00 0.00 N ATOM 0 H LYS A 82 6.318 7.910 -4.971 1.00 0.00 H new ATOM 0 HA LYS A 82 4.275 9.781 -4.440 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.478 10.054 -5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.685 9.283 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.509 11.746 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.760 11.873 -6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.120 10.419 -7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.402 12.087 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.984 9.702 -8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.684 10.499 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.668 11.401 -10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.048 12.598 -9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.335 11.617 -9.052 1.00 0.00 H new ATOM 775 N LYS A 83 3.603 7.598 -6.841 1.00 0.00 N ATOM 776 CA LYS A 83 2.519 7.029 -7.632 1.00 0.00 C ATOM 777 C LYS A 83 1.635 6.133 -6.766 1.00 0.00 C ATOM 778 O LYS A 83 0.487 5.852 -7.112 1.00 0.00 O ATOM 779 CB LYS A 83 3.080 6.247 -8.828 1.00 0.00 C ATOM 780 CG LYS A 83 3.844 4.987 -8.447 1.00 0.00 C ATOM 781 CD LYS A 83 4.585 4.386 -9.635 1.00 0.00 C ATOM 782 CE LYS A 83 3.642 3.991 -10.763 1.00 0.00 C ATOM 783 NZ LYS A 83 2.694 2.923 -10.356 1.00 0.00 N ATOM 0 H LYS A 83 4.522 7.199 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 83 1.905 7.845 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.256 5.973 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.741 6.901 -9.397 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.557 5.221 -7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.150 4.250 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.313 5.106 -10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.143 3.509 -9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.081 4.867 -11.088 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.225 3.650 -11.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.166 2.592 -11.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.223 2.128 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.029 3.300 -9.651 1.00 0.00 H new ATOM 797 N PHE A 84 2.182 5.692 -5.638 1.00 0.00 N ATOM 798 CA PHE A 84 1.442 4.876 -4.689 1.00 0.00 C ATOM 799 C PHE A 84 0.341 5.709 -4.047 1.00 0.00 C ATOM 800 O PHE A 84 -0.831 5.332 -4.058 1.00 0.00 O ATOM 801 CB PHE A 84 2.384 4.331 -3.612 1.00 0.00 C ATOM 802 CG PHE A 84 1.985 2.988 -3.067 1.00 0.00 C ATOM 803 CD1 PHE A 84 0.853 2.844 -2.283 1.00 0.00 C ATOM 804 CD2 PHE A 84 2.754 1.868 -3.337 1.00 0.00 C ATOM 805 CE1 PHE A 84 0.495 1.609 -1.778 1.00 0.00 C ATOM 806 CE2 PHE A 84 2.401 0.630 -2.836 1.00 0.00 C ATOM 807 CZ PHE A 84 1.270 0.500 -2.056 1.00 0.00 C ATOM 0 H PHE A 84 3.143 5.889 -5.360 1.00 0.00 H new ATOM 0 HA PHE A 84 0.993 4.035 -5.217 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.389 4.258 -4.027 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.430 5.045 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.243 3.707 -2.064 1.00 0.00 H new ATOM 0 HD2 PHE A 84 3.640 1.964 -3.947 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -0.390 1.511 -1.167 1.00 0.00 H new ATOM 0 HE2 PHE A 84 3.009 -0.235 -3.054 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.991 -0.467 -1.664 1.00 0.00 H new ATOM 817 N LYS A 85 0.729 6.862 -3.512 1.00 0.00 N ATOM 818 CA LYS A 85 -0.210 7.763 -2.857 1.00 0.00 C ATOM 819 C LYS A 85 -1.271 8.252 -3.836 1.00 0.00 C ATOM 820 O LYS A 85 -2.448 8.357 -3.489 1.00 0.00 O ATOM 821 CB LYS A 85 0.526 8.960 -2.256 1.00 0.00 C ATOM 822 CG LYS A 85 1.540 8.584 -1.188 1.00 0.00 C ATOM 823 CD LYS A 85 2.236 9.815 -0.636 1.00 0.00 C ATOM 824 CE LYS A 85 3.264 9.449 0.420 1.00 0.00 C ATOM 825 NZ LYS A 85 4.024 10.637 0.882 1.00 0.00 N ATOM 0 H LYS A 85 1.693 7.195 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.702 7.208 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.036 9.499 -3.054 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.204 9.645 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.040 8.052 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.279 7.902 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.724 10.353 -1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.496 10.490 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.763 8.984 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.955 8.710 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.986 10.350 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.075 11.337 0.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.544 11.058 1.703 1.00 0.00 H new ATOM 839 N LYS A 86 -0.847 8.542 -5.061 1.00 0.00 N ATOM 840 CA LYS A 86 -1.761 9.028 -6.090 1.00 0.00 C ATOM 841 C LYS A 86 -2.802 7.973 -6.461 1.00 0.00 C ATOM 842 O LYS A 86 -3.965 8.303 -6.708 1.00 0.00 O ATOM 843 CB LYS A 86 -0.989 9.477 -7.336 1.00 0.00 C ATOM 844 CG LYS A 86 -0.612 10.955 -7.334 1.00 0.00 C ATOM 845 CD LYS A 86 0.243 11.332 -6.133 1.00 0.00 C ATOM 846 CE LYS A 86 0.579 12.817 -6.121 1.00 0.00 C ATOM 847 NZ LYS A 86 -0.630 13.668 -5.952 1.00 0.00 N ATOM 0 H LYS A 86 0.122 8.449 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.289 9.888 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.080 8.881 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.592 9.268 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.071 11.191 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.519 11.559 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.284 11.071 -5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.165 10.751 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.281 13.022 -5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.080 13.082 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.340 14.649 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.201 13.636 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.195 13.314 -5.154 1.00 0.00 H new ATOM 861 N ASP A 87 -2.394 6.709 -6.492 1.00 0.00 N ATOM 862 CA ASP A 87 -3.323 5.627 -6.806 1.00 0.00 C ATOM 863 C ASP A 87 -4.261 5.394 -5.631 1.00 0.00 C ATOM 864 O ASP A 87 -5.449 5.123 -5.815 1.00 0.00 O ATOM 865 CB ASP A 87 -2.574 4.336 -7.148 1.00 0.00 C ATOM 866 CG ASP A 87 -3.482 3.278 -7.751 1.00 0.00 C ATOM 867 OD1 ASP A 87 -4.274 3.615 -8.656 1.00 0.00 O ATOM 868 OD2 ASP A 87 -3.380 2.096 -7.362 1.00 0.00 O ATOM 0 H ASP A 87 -1.437 6.409 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.905 5.919 -7.680 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.769 4.561 -7.848 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.109 3.940 -6.245 1.00 0.00 H new ATOM 873 N LEU A 88 -3.721 5.524 -4.422 1.00 0.00 N ATOM 874 CA LEU A 88 -4.522 5.434 -3.207 1.00 0.00 C ATOM 875 C LEU A 88 -5.604 6.504 -3.212 1.00 0.00 C ATOM 876 O LEU A 88 -6.758 6.236 -2.885 1.00 0.00 O ATOM 877 CB LEU A 88 -3.648 5.603 -1.963 1.00 0.00 C ATOM 878 CG LEU A 88 -2.619 4.501 -1.717 1.00 0.00 C ATOM 879 CD1 LEU A 88 -1.779 4.838 -0.498 1.00 0.00 C ATOM 880 CD2 LEU A 88 -3.303 3.154 -1.533 1.00 0.00 C ATOM 0 H LEU A 88 -2.728 5.693 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.984 4.447 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.122 6.555 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.299 5.667 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.968 4.434 -2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.048 4.047 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.260 5.782 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.425 4.927 0.376 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.551 2.385 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -3.977 3.202 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.872 2.909 -2.430 1.00 0.00 H new ATOM 892 N ALA A 89 -5.217 7.715 -3.595 1.00 0.00 N ATOM 893 CA ALA A 89 -6.146 8.831 -3.685 1.00 0.00 C ATOM 894 C ALA A 89 -7.245 8.537 -4.696 1.00 0.00 C ATOM 895 O ALA A 89 -8.426 8.757 -4.427 1.00 0.00 O ATOM 896 CB ALA A 89 -5.402 10.100 -4.066 1.00 0.00 C ATOM 0 H ALA A 89 -4.257 7.948 -3.850 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.610 8.974 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.106 10.929 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.649 10.322 -3.309 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.916 9.961 -5.032 1.00 0.00 H new ATOM 902 N ALA A 90 -6.846 8.023 -5.852 1.00 0.00 N ATOM 903 CA ALA A 90 -7.790 7.670 -6.900 1.00 0.00 C ATOM 904 C ALA A 90 -8.772 6.613 -6.413 1.00 0.00 C ATOM 905 O ALA A 90 -9.985 6.784 -6.524 1.00 0.00 O ATOM 906 CB ALA A 90 -7.049 7.177 -8.132 1.00 0.00 C ATOM 0 H ALA A 90 -5.870 7.841 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.356 8.563 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.768 6.916 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.388 7.963 -8.498 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.459 6.298 -7.874 1.00 0.00 H new ATOM 912 N MET A 91 -8.240 5.534 -5.849 1.00 0.00 N ATOM 913 CA MET A 91 -9.068 4.441 -5.351 1.00 0.00 C ATOM 914 C MET A 91 -9.974 4.913 -4.219 1.00 0.00 C ATOM 915 O MET A 91 -11.115 4.467 -4.102 1.00 0.00 O ATOM 916 CB MET A 91 -8.195 3.271 -4.890 1.00 0.00 C ATOM 917 CG MET A 91 -7.464 2.580 -6.032 1.00 0.00 C ATOM 918 SD MET A 91 -6.526 1.133 -5.501 1.00 0.00 S ATOM 919 CE MET A 91 -5.322 1.881 -4.406 1.00 0.00 C ATOM 0 H MET A 91 -7.237 5.393 -5.725 1.00 0.00 H new ATOM 0 HA MET A 91 -9.701 4.098 -6.169 1.00 0.00 H new ATOM 0 HB2 MET A 91 -7.465 3.634 -4.167 1.00 0.00 H new ATOM 0 HB3 MET A 91 -8.819 2.542 -4.373 1.00 0.00 H new ATOM 0 HG2 MET A 91 -8.188 2.278 -6.789 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.786 3.291 -6.505 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.555 1.149 -4.154 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.860 2.735 -4.902 1.00 0.00 H new ATOM 0 HE3 MET A 91 -5.817 2.215 -3.494 1.00 0.00 H new ATOM 929 N LEU A 92 -9.465 5.827 -3.401 1.00 0.00 N ATOM 930 CA LEU A 92 -10.249 6.430 -2.329 1.00 0.00 C ATOM 931 C LEU A 92 -11.479 7.133 -2.894 1.00 0.00 C ATOM 932 O LEU A 92 -12.596 6.950 -2.406 1.00 0.00 O ATOM 933 CB LEU A 92 -9.388 7.426 -1.549 1.00 0.00 C ATOM 934 CG LEU A 92 -10.113 8.208 -0.453 1.00 0.00 C ATOM 935 CD1 LEU A 92 -10.699 7.266 0.586 1.00 0.00 C ATOM 936 CD2 LEU A 92 -9.165 9.200 0.198 1.00 0.00 C ATOM 0 H LEU A 92 -8.506 6.169 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 92 -10.581 5.640 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.558 6.884 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.958 8.137 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 92 -10.935 8.759 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.210 7.845 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.410 6.593 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.898 6.684 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.693 9.751 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.324 8.664 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -8.796 9.898 -0.554 1.00 0.00 H new ATOM 948 N ARG A 93 -11.269 7.928 -3.936 1.00 0.00 N ATOM 949 CA ARG A 93 -12.363 8.640 -4.583 1.00 0.00 C ATOM 950 C ARG A 93 -13.382 7.655 -5.144 1.00 0.00 C ATOM 951 O ARG A 93 -14.582 7.934 -5.173 1.00 0.00 O ATOM 952 CB ARG A 93 -11.836 9.542 -5.699 1.00 0.00 C ATOM 953 CG ARG A 93 -10.809 10.558 -5.231 1.00 0.00 C ATOM 954 CD ARG A 93 -10.328 11.433 -6.377 1.00 0.00 C ATOM 955 NE ARG A 93 -9.922 10.640 -7.538 1.00 0.00 N ATOM 956 CZ ARG A 93 -8.896 10.940 -8.330 1.00 0.00 C ATOM 957 NH1 ARG A 93 -8.140 12.004 -8.084 1.00 0.00 N ATOM 958 NH2 ARG A 93 -8.620 10.163 -9.370 1.00 0.00 N ATOM 0 H ARG A 93 -10.352 8.096 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 93 -12.852 9.264 -3.835 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -11.391 8.921 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -12.674 10.070 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.244 11.184 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -9.959 10.040 -4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.123 12.120 -6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.488 12.041 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.461 9.802 -7.754 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.344 12.600 -7.282 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.356 12.225 -8.697 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.193 9.341 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -7.835 10.388 -9.981 1.00 0.00 H new ATOM 972 N ILE A 94 -12.905 6.495 -5.579 1.00 0.00 N ATOM 973 CA ILE A 94 -13.795 5.474 -6.101 1.00 0.00 C ATOM 974 C ILE A 94 -14.598 4.829 -4.972 1.00 0.00 C ATOM 975 O ILE A 94 -15.742 4.445 -5.180 1.00 0.00 O ATOM 976 CB ILE A 94 -13.045 4.386 -6.893 1.00 0.00 C ATOM 977 CG1 ILE A 94 -12.073 5.022 -7.888 1.00 0.00 C ATOM 978 CG2 ILE A 94 -14.046 3.507 -7.633 1.00 0.00 C ATOM 979 CD1 ILE A 94 -11.209 4.018 -8.618 1.00 0.00 C ATOM 0 H ILE A 94 -11.917 6.242 -5.580 1.00 0.00 H new ATOM 0 HA ILE A 94 -14.473 5.976 -6.791 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.474 3.774 -6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -12.640 5.599 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.430 5.724 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.512 2.739 -8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.715 3.034 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -14.628 4.119 -8.322 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.545 4.541 -9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.615 3.457 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.844 3.331 -9.178 1.00 0.00 H new ATOM 991 N ILE A 95 -14.011 4.723 -3.775 1.00 0.00 N ATOM 992 CA ILE A 95 -14.759 4.256 -2.602 1.00 0.00 C ATOM 993 C ILE A 95 -15.975 5.148 -2.396 1.00 0.00 C ATOM 994 O ILE A 95 -17.088 4.674 -2.160 1.00 0.00 O ATOM 995 CB ILE A 95 -13.917 4.267 -1.306 1.00 0.00 C ATOM 996 CG1 ILE A 95 -12.644 3.440 -1.473 1.00 0.00 C ATOM 997 CG2 ILE A 95 -14.743 3.707 -0.156 1.00 0.00 C ATOM 998 CD1 ILE A 95 -12.894 1.951 -1.462 1.00 0.00 C ATOM 0 H ILE A 95 -13.033 4.951 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 95 -15.048 3.224 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 95 -13.632 5.297 -1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.162 3.714 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.948 3.691 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.148 3.715 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.633 4.320 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -15.040 2.684 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.949 1.422 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.349 1.665 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.565 1.689 -2.280 1.00 0.00 H new ATOM 1010 N ASN A 96 -15.746 6.452 -2.512 1.00 0.00 N ATOM 1011 CA ASN A 96 -16.821 7.435 -2.457 1.00 0.00 C ATOM 1012 C ASN A 96 -17.860 7.138 -3.536 1.00 0.00 C ATOM 1013 O ASN A 96 -19.068 7.235 -3.303 1.00 0.00 O ATOM 1014 CB ASN A 96 -16.266 8.854 -2.656 1.00 0.00 C ATOM 1015 CG ASN A 96 -15.425 9.345 -1.489 1.00 0.00 C ATOM 1016 OD1 ASN A 96 -15.934 9.980 -0.570 1.00 0.00 O ATOM 1017 ND2 ASN A 96 -14.133 9.060 -1.513 1.00 0.00 N ATOM 0 H ASN A 96 -14.818 6.854 -2.646 1.00 0.00 H new ATOM 0 HA ASN A 96 -17.291 7.374 -1.475 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -15.662 8.876 -3.563 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -17.097 9.542 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -13.528 9.370 -0.752 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -13.742 8.530 -2.292 1.00 0.00 H new ATOM 1024 N ALA A 97 -17.372 6.749 -4.708 1.00 0.00 N ATOM 1025 CA ALA A 97 -18.226 6.477 -5.860 1.00 0.00 C ATOM 1026 C ALA A 97 -18.905 5.108 -5.777 1.00 0.00 C ATOM 1027 O ALA A 97 -19.770 4.793 -6.594 1.00 0.00 O ATOM 1028 CB ALA A 97 -17.414 6.580 -7.142 1.00 0.00 C ATOM 0 H ALA A 97 -16.377 6.613 -4.887 1.00 0.00 H new ATOM 0 HA ALA A 97 -19.017 7.227 -5.861 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -18.058 6.376 -7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.000 7.584 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -16.602 5.854 -7.118 1.00 0.00 H new ATOM 1034 N ARG A 98 -18.521 4.291 -4.802 1.00 0.00 N ATOM 1035 CA ARG A 98 -19.134 2.975 -4.642 1.00 0.00 C ATOM 1036 C ARG A 98 -20.457 3.096 -3.899 1.00 0.00 C ATOM 1037 O ARG A 98 -21.240 2.148 -3.841 1.00 0.00 O ATOM 1038 CB ARG A 98 -18.206 2.007 -3.896 1.00 0.00 C ATOM 1039 CG ARG A 98 -16.865 1.774 -4.579 1.00 0.00 C ATOM 1040 CD ARG A 98 -17.025 1.301 -6.017 1.00 0.00 C ATOM 1041 NE ARG A 98 -17.657 -0.015 -6.106 1.00 0.00 N ATOM 1042 CZ ARG A 98 -18.117 -0.547 -7.238 1.00 0.00 C ATOM 1043 NH1 ARG A 98 -18.030 0.124 -8.379 1.00 0.00 N ATOM 1044 NH2 ARG A 98 -18.658 -1.757 -7.227 1.00 0.00 N ATOM 0 H ARG A 98 -17.797 4.512 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 98 -19.313 2.572 -5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -18.027 2.394 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -18.714 1.049 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -16.287 2.698 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -16.297 1.034 -4.016 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -17.622 2.026 -6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -16.046 1.264 -6.495 1.00 0.00 H new ATOM 0 HE ARG A 98 -17.752 -0.559 -5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -17.609 1.053 -8.394 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -18.384 -0.289 -9.242 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -18.722 -2.279 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -19.011 -2.166 -8.092 1.00 0.00 H new ATOM 1288 N GLY B 42 -9.511 -10.819 5.887 1.00 0.00 N ATOM 1289 CA GLY B 42 -9.049 -9.486 6.194 1.00 0.00 C ATOM 1290 C GLY B 42 -10.187 -8.498 6.344 1.00 0.00 C ATOM 1291 O GLY B 42 -11.068 -8.434 5.484 1.00 0.00 O ATOM 0 HA2 GLY B 42 -8.469 -9.510 7.116 1.00 0.00 H new ATOM 0 HA3 GLY B 42 -8.379 -9.146 5.404 1.00 0.00 H new ATOM 1295 N PRO B 43 -10.204 -7.725 7.441 1.00 0.00 N ATOM 1296 CA PRO B 43 -11.199 -6.670 7.648 1.00 0.00 C ATOM 1297 C PRO B 43 -11.008 -5.511 6.672 1.00 0.00 C ATOM 1298 O PRO B 43 -10.025 -5.488 5.933 1.00 0.00 O ATOM 1299 CB PRO B 43 -10.946 -6.212 9.086 1.00 0.00 C ATOM 1300 CG PRO B 43 -9.526 -6.571 9.352 1.00 0.00 C ATOM 1301 CD PRO B 43 -9.268 -7.829 8.574 1.00 0.00 C ATOM 0 HA PRO B 43 -12.216 -7.025 7.481 1.00 0.00 H new ATOM 0 HB2 PRO B 43 -11.111 -5.140 9.195 1.00 0.00 H new ATOM 0 HB3 PRO B 43 -11.618 -6.710 9.785 1.00 0.00 H new ATOM 0 HG2 PRO B 43 -8.855 -5.772 9.036 1.00 0.00 H new ATOM 0 HG3 PRO B 43 -9.356 -6.728 10.417 1.00 0.00 H new ATOM 0 HD2 PRO B 43 -8.233 -7.888 8.237 1.00 0.00 H new ATOM 0 HD3 PRO B 43 -9.459 -8.719 9.173 1.00 0.00 H new ATOM 1309 N ILE B 44 -11.928 -4.551 6.683 1.00 0.00 N ATOM 1310 CA ILE B 44 -11.937 -3.466 5.694 1.00 0.00 C ATOM 1311 C ILE B 44 -10.570 -2.784 5.536 1.00 0.00 C ATOM 1312 O ILE B 44 -10.151 -2.467 4.418 1.00 0.00 O ATOM 1313 CB ILE B 44 -13.008 -2.408 6.034 1.00 0.00 C ATOM 1314 CG1 ILE B 44 -12.821 -1.876 7.459 1.00 0.00 C ATOM 1315 CG2 ILE B 44 -14.400 -3.000 5.856 1.00 0.00 C ATOM 1316 CD1 ILE B 44 -13.853 -0.845 7.863 1.00 0.00 C ATOM 0 H ILE B 44 -12.682 -4.498 7.367 1.00 0.00 H new ATOM 0 HA ILE B 44 -12.181 -3.936 4.741 1.00 0.00 H new ATOM 0 HB ILE B 44 -12.895 -1.568 5.349 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -12.862 -2.712 8.158 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -11.827 -1.436 7.546 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -15.150 -2.247 6.098 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -14.529 -3.321 4.823 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -14.519 -3.856 6.520 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -13.657 -0.514 8.883 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -13.798 0.009 7.188 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -14.848 -1.286 7.809 1.00 0.00 H new ATOM 1328 N ARG B 45 -9.867 -2.588 6.648 1.00 0.00 N ATOM 1329 CA ARG B 45 -8.549 -1.957 6.622 1.00 0.00 C ATOM 1330 C ARG B 45 -7.556 -2.811 5.848 1.00 0.00 C ATOM 1331 O ARG B 45 -6.797 -2.312 5.014 1.00 0.00 O ATOM 1332 CB ARG B 45 -8.043 -1.726 8.045 1.00 0.00 C ATOM 1333 CG ARG B 45 -8.910 -0.758 8.836 1.00 0.00 C ATOM 1334 CD ARG B 45 -8.356 -0.490 10.224 1.00 0.00 C ATOM 1335 NE ARG B 45 -9.139 0.528 10.927 1.00 0.00 N ATOM 1336 CZ ARG B 45 -9.082 0.746 12.240 1.00 0.00 C ATOM 1337 NH1 ARG B 45 -8.259 0.038 13.004 1.00 0.00 N ATOM 1338 NH2 ARG B 45 -9.843 1.687 12.782 1.00 0.00 N ATOM 0 H ARG B 45 -10.187 -2.857 7.579 1.00 0.00 H new ATOM 0 HA ARG B 45 -8.643 -0.995 6.119 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -8.003 -2.681 8.570 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -7.024 -1.342 8.004 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -8.990 0.183 8.291 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -9.918 -1.164 8.922 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -8.357 -1.414 10.802 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -7.319 -0.163 10.146 1.00 0.00 H new ATOM 0 HE ARG B 45 -9.770 1.109 10.375 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -7.665 -0.678 12.586 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -8.221 0.210 14.009 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -10.468 2.239 12.194 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -9.804 1.859 13.787 1.00 0.00 H new ATOM 1352 N MET B 46 -7.584 -4.105 6.115 1.00 0.00 N ATOM 1353 CA MET B 46 -6.698 -5.041 5.447 1.00 0.00 C ATOM 1354 C MET B 46 -7.114 -5.245 3.995 1.00 0.00 C ATOM 1355 O MET B 46 -6.297 -5.628 3.161 1.00 0.00 O ATOM 1356 CB MET B 46 -6.673 -6.372 6.193 1.00 0.00 C ATOM 1357 CG MET B 46 -5.696 -6.393 7.360 1.00 0.00 C ATOM 1358 SD MET B 46 -5.830 -7.885 8.361 1.00 0.00 S ATOM 1359 CE MET B 46 -5.525 -9.132 7.116 1.00 0.00 C ATOM 0 H MET B 46 -8.214 -4.533 6.793 1.00 0.00 H new ATOM 0 HA MET B 46 -5.692 -4.622 5.451 1.00 0.00 H new ATOM 0 HB2 MET B 46 -7.674 -6.591 6.563 1.00 0.00 H new ATOM 0 HB3 MET B 46 -6.410 -7.167 5.495 1.00 0.00 H new ATOM 0 HG2 MET B 46 -4.679 -6.309 6.977 1.00 0.00 H new ATOM 0 HG3 MET B 46 -5.872 -5.522 7.991 1.00 0.00 H new ATOM 0 HE1 MET B 46 -5.361 -10.095 7.599 1.00 0.00 H new ATOM 0 HE2 MET B 46 -6.386 -9.201 6.452 1.00 0.00 H new ATOM 0 HE3 MET B 46 -4.642 -8.861 6.538 1.00 0.00 H new ATOM 1369 N VAL B 47 -8.383 -4.983 3.701 1.00 0.00 N ATOM 1370 CA VAL B 47 -8.881 -5.039 2.331 1.00 0.00 C ATOM 1371 C VAL B 47 -8.187 -3.991 1.473 1.00 0.00 C ATOM 1372 O VAL B 47 -7.708 -4.290 0.384 1.00 0.00 O ATOM 1373 CB VAL B 47 -10.409 -4.825 2.266 1.00 0.00 C ATOM 1374 CG1 VAL B 47 -10.895 -4.777 0.824 1.00 0.00 C ATOM 1375 CG2 VAL B 47 -11.130 -5.922 3.027 1.00 0.00 C ATOM 0 H VAL B 47 -9.087 -4.729 4.394 1.00 0.00 H new ATOM 0 HA VAL B 47 -8.660 -6.035 1.947 1.00 0.00 H new ATOM 0 HB VAL B 47 -10.634 -3.866 2.732 1.00 0.00 H new ATOM 0 HG11 VAL B 47 -11.974 -4.625 0.809 1.00 0.00 H new ATOM 0 HG12 VAL B 47 -10.406 -3.955 0.302 1.00 0.00 H new ATOM 0 HG13 VAL B 47 -10.654 -5.717 0.327 1.00 0.00 H new ATOM 0 HG21 VAL B 47 -12.206 -5.757 2.972 1.00 0.00 H new ATOM 0 HG22 VAL B 47 -10.888 -6.889 2.587 1.00 0.00 H new ATOM 0 HG23 VAL B 47 -10.814 -5.909 4.070 1.00 0.00 H new ATOM 1385 N LEU B 48 -8.121 -2.763 1.975 1.00 0.00 N ATOM 1386 CA LEU B 48 -7.444 -1.692 1.253 1.00 0.00 C ATOM 1387 C LEU B 48 -5.943 -1.958 1.177 1.00 0.00 C ATOM 1388 O LEU B 48 -5.289 -1.601 0.194 1.00 0.00 O ATOM 1389 CB LEU B 48 -7.709 -0.335 1.912 1.00 0.00 C ATOM 1390 CG LEU B 48 -9.171 0.124 1.901 1.00 0.00 C ATOM 1391 CD1 LEU B 48 -9.291 1.523 2.481 1.00 0.00 C ATOM 1392 CD2 LEU B 48 -9.739 0.085 0.490 1.00 0.00 C ATOM 0 H LEU B 48 -8.524 -2.486 2.870 1.00 0.00 H new ATOM 0 HA LEU B 48 -7.845 -1.666 0.240 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -7.367 -0.379 2.946 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -7.105 0.419 1.408 1.00 0.00 H new ATOM 0 HG LEU B 48 -9.749 -0.562 2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -10.335 1.835 2.466 1.00 0.00 H new ATOM 0 HD12 LEU B 48 -8.927 1.523 3.508 1.00 0.00 H new ATOM 0 HD13 LEU B 48 -8.697 2.216 1.885 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -10.778 0.415 0.507 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -9.159 0.746 -0.154 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -9.688 -0.934 0.105 1.00 0.00 H new ATOM 1404 N ALA B 49 -5.406 -2.594 2.213 1.00 0.00 N ATOM 1405 CA ALA B 49 -3.994 -2.957 2.240 1.00 0.00 C ATOM 1406 C ALA B 49 -3.665 -3.977 1.151 1.00 0.00 C ATOM 1407 O ALA B 49 -2.739 -3.778 0.362 1.00 0.00 O ATOM 1408 CB ALA B 49 -3.613 -3.500 3.608 1.00 0.00 C ATOM 0 H ALA B 49 -5.928 -2.869 3.045 1.00 0.00 H new ATOM 0 HA ALA B 49 -3.411 -2.057 2.044 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -2.556 -3.767 3.612 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -3.798 -2.739 4.366 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -4.211 -4.384 3.828 1.00 0.00 H new ATOM 1414 N ILE B 50 -4.433 -5.063 1.101 1.00 0.00 N ATOM 1415 CA ILE B 50 -4.209 -6.101 0.101 1.00 0.00 C ATOM 1416 C ILE B 50 -4.624 -5.602 -1.283 1.00 0.00 C ATOM 1417 O ILE B 50 -4.135 -6.086 -2.305 1.00 0.00 O ATOM 1418 CB ILE B 50 -4.959 -7.413 0.446 1.00 0.00 C ATOM 1419 CG1 ILE B 50 -4.544 -8.538 -0.510 1.00 0.00 C ATOM 1420 CG2 ILE B 50 -6.464 -7.208 0.404 1.00 0.00 C ATOM 1421 CD1 ILE B 50 -5.181 -9.875 -0.196 1.00 0.00 C ATOM 0 H ILE B 50 -5.210 -5.245 1.736 1.00 0.00 H new ATOM 0 HA ILE B 50 -3.142 -6.326 0.098 1.00 0.00 H new ATOM 0 HB ILE B 50 -4.685 -7.701 1.461 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -4.807 -8.252 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -3.460 -8.647 -0.479 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -6.966 -8.144 0.650 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -6.747 -6.443 1.127 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -6.760 -6.889 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.839 -10.619 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.898 -10.186 0.810 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -6.266 -9.784 -0.256 1.00 0.00 H new ATOM 1433 N LEU B 51 -5.520 -4.624 -1.307 1.00 0.00 N ATOM 1434 CA LEU B 51 -5.918 -3.984 -2.549 1.00 0.00 C ATOM 1435 C LEU B 51 -4.709 -3.336 -3.206 1.00 0.00 C ATOM 1436 O LEU B 51 -4.371 -3.661 -4.341 1.00 0.00 O ATOM 1437 CB LEU B 51 -6.987 -2.925 -2.293 1.00 0.00 C ATOM 1438 CG LEU B 51 -7.505 -2.214 -3.541 1.00 0.00 C ATOM 1439 CD1 LEU B 51 -8.536 -3.071 -4.265 1.00 0.00 C ATOM 1440 CD2 LEU B 51 -8.082 -0.861 -3.170 1.00 0.00 C ATOM 0 H LEU B 51 -5.985 -4.257 -0.476 1.00 0.00 H new ATOM 0 HA LEU B 51 -6.331 -4.745 -3.211 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -7.829 -3.396 -1.786 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -6.581 -2.178 -1.610 1.00 0.00 H new ATOM 0 HG LEU B 51 -6.670 -2.056 -4.224 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -8.890 -2.543 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -8.080 -4.015 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -9.377 -3.269 -3.600 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -8.448 -0.363 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -8.905 -0.996 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -7.308 -0.250 -2.707 1.00 0.00 H new ATOM 1452 N ALA B 52 -4.052 -2.434 -2.475 1.00 0.00 N ATOM 1453 CA ALA B 52 -2.858 -1.758 -2.975 1.00 0.00 C ATOM 1454 C ALA B 52 -1.782 -2.770 -3.323 1.00 0.00 C ATOM 1455 O ALA B 52 -1.059 -2.612 -4.308 1.00 0.00 O ATOM 1456 CB ALA B 52 -2.325 -0.769 -1.956 1.00 0.00 C ATOM 0 H ALA B 52 -4.329 -2.156 -1.534 1.00 0.00 H new ATOM 0 HA ALA B 52 -3.136 -1.210 -3.875 1.00 0.00 H new ATOM 0 HB1 ALA B 52 -1.436 -0.280 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA B 52 -3.087 -0.019 -1.743 1.00 0.00 H new ATOM 0 HB3 ALA B 52 -2.068 -1.296 -1.037 1.00 0.00 H new ATOM 1462 N PHE B 53 -1.683 -3.808 -2.502 1.00 0.00 N ATOM 1463 CA PHE B 53 -0.797 -4.925 -2.779 1.00 0.00 C ATOM 1464 C PHE B 53 -1.042 -5.441 -4.190 1.00 0.00 C ATOM 1465 O PHE B 53 -0.164 -5.375 -5.044 1.00 0.00 O ATOM 1466 CB PHE B 53 -1.030 -6.037 -1.751 1.00 0.00 C ATOM 1467 CG PHE B 53 -0.305 -7.323 -2.044 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -1.017 -8.489 -2.276 1.00 0.00 C ATOM 1469 CD2 PHE B 53 1.078 -7.369 -2.086 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -0.365 -9.675 -2.545 1.00 0.00 C ATOM 1471 CE2 PHE B 53 1.736 -8.555 -2.355 1.00 0.00 C ATOM 1472 CZ PHE B 53 1.014 -9.708 -2.584 1.00 0.00 C ATOM 0 H PHE B 53 -2.211 -3.897 -1.634 1.00 0.00 H new ATOM 0 HA PHE B 53 0.239 -4.593 -2.706 1.00 0.00 H new ATOM 0 HB2 PHE B 53 -0.722 -5.677 -0.770 1.00 0.00 H new ATOM 0 HB3 PHE B 53 -2.099 -6.243 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -2.096 -8.469 -2.246 1.00 0.00 H new ATOM 0 HD2 PHE B 53 1.649 -6.470 -1.907 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -0.933 -10.576 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE B 53 2.815 -8.579 -2.386 1.00 0.00 H new ATOM 0 HZ PHE B 53 1.527 -10.635 -2.793 1.00 0.00 H new ATOM 1482 N LEU B 54 -2.257 -5.898 -4.440 1.00 0.00 N ATOM 1483 CA LEU B 54 -2.624 -6.467 -5.733 1.00 0.00 C ATOM 1484 C LEU B 54 -2.641 -5.408 -6.839 1.00 0.00 C ATOM 1485 O LEU B 54 -2.629 -5.740 -8.020 1.00 0.00 O ATOM 1486 CB LEU B 54 -3.989 -7.148 -5.631 1.00 0.00 C ATOM 1487 CG LEU B 54 -4.063 -8.327 -4.654 1.00 0.00 C ATOM 1488 CD1 LEU B 54 -5.497 -8.815 -4.504 1.00 0.00 C ATOM 1489 CD2 LEU B 54 -3.163 -9.462 -5.119 1.00 0.00 C ATOM 0 H LEU B 54 -3.016 -5.887 -3.759 1.00 0.00 H new ATOM 0 HA LEU B 54 -1.867 -7.205 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -4.727 -6.403 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -4.276 -7.500 -6.622 1.00 0.00 H new ATOM 0 HG LEU B 54 -3.714 -7.984 -3.680 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -5.525 -9.652 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -6.119 -8.005 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -5.875 -9.138 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -3.228 -10.290 -4.414 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -3.483 -9.799 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -2.132 -9.111 -5.172 1.00 0.00 H new ATOM 1501 N ARG B 55 -2.667 -4.141 -6.454 1.00 0.00 N ATOM 1502 CA ARG B 55 -2.634 -3.044 -7.416 1.00 0.00 C ATOM 1503 C ARG B 55 -1.241 -2.855 -7.988 1.00 0.00 C ATOM 1504 O ARG B 55 -1.069 -2.703 -9.197 1.00 0.00 O ATOM 1505 CB ARG B 55 -3.085 -1.741 -6.761 1.00 0.00 C ATOM 1506 CG ARG B 55 -4.579 -1.657 -6.554 1.00 0.00 C ATOM 1507 CD ARG B 55 -5.296 -1.420 -7.868 1.00 0.00 C ATOM 1508 NE ARG B 55 -4.974 -0.106 -8.432 1.00 0.00 N ATOM 1509 CZ ARG B 55 -5.120 0.217 -9.716 1.00 0.00 C ATOM 1510 NH1 ARG B 55 -5.546 -0.684 -10.588 1.00 0.00 N ATOM 1511 NH2 ARG B 55 -4.833 1.443 -10.127 1.00 0.00 N ATOM 0 H ARG B 55 -2.711 -3.844 -5.479 1.00 0.00 H new ATOM 0 HA ARG B 55 -3.317 -3.302 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG B 55 -2.586 -1.636 -5.798 1.00 0.00 H new ATOM 0 HB3 ARG B 55 -2.764 -0.903 -7.379 1.00 0.00 H new ATOM 0 HG2 ARG B 55 -4.939 -2.580 -6.100 1.00 0.00 H new ATOM 0 HG3 ARG B 55 -4.809 -0.849 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG B 55 -5.020 -2.199 -8.579 1.00 0.00 H new ATOM 0 HD3 ARG B 55 -6.372 -1.496 -7.714 1.00 0.00 H new ATOM 0 HE ARG B 55 -4.614 0.609 -7.799 1.00 0.00 H new ATOM 0 HH11 ARG B 55 -5.764 -1.631 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG B 55 -5.656 -0.431 -11.570 1.00 0.00 H new ATOM 0 HH21 ARG B 55 -4.500 2.140 -9.460 1.00 0.00 H new ATOM 0 HH22 ARG B 55 -4.945 1.691 -11.110 1.00 0.00 H new ATOM 1525 N PHE B 56 -0.251 -2.855 -7.115 1.00 0.00 N ATOM 1526 CA PHE B 56 1.112 -2.571 -7.524 1.00 0.00 C ATOM 1527 C PHE B 56 1.897 -3.848 -7.780 1.00 0.00 C ATOM 1528 O PHE B 56 3.035 -3.802 -8.246 1.00 0.00 O ATOM 1529 CB PHE B 56 1.800 -1.698 -6.475 1.00 0.00 C ATOM 1530 CG PHE B 56 1.228 -0.312 -6.417 1.00 0.00 C ATOM 1531 CD1 PHE B 56 1.800 0.716 -7.146 1.00 0.00 C ATOM 1532 CD2 PHE B 56 0.105 -0.041 -5.652 1.00 0.00 C ATOM 1533 CE1 PHE B 56 1.263 1.987 -7.113 1.00 0.00 C ATOM 1534 CE2 PHE B 56 -0.434 1.228 -5.612 1.00 0.00 C ATOM 1535 CZ PHE B 56 0.145 2.243 -6.345 1.00 0.00 C ATOM 0 H PHE B 56 -0.365 -3.048 -6.120 1.00 0.00 H new ATOM 0 HA PHE B 56 1.080 -2.024 -8.466 1.00 0.00 H new ATOM 0 HB2 PHE B 56 1.705 -2.168 -5.496 1.00 0.00 H new ATOM 0 HB3 PHE B 56 2.865 -1.639 -6.698 1.00 0.00 H new ATOM 0 HD1 PHE B 56 2.676 0.522 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE B 56 -0.354 -0.834 -5.080 1.00 0.00 H new ATOM 0 HE1 PHE B 56 1.717 2.781 -7.688 1.00 0.00 H new ATOM 0 HE2 PHE B 56 -1.307 1.426 -5.008 1.00 0.00 H new ATOM 0 HZ PHE B 56 -0.276 3.237 -6.318 1.00 0.00 H new ATOM 1545 N THR B 57 1.294 -4.988 -7.476 1.00 0.00 N ATOM 1546 CA THR B 57 1.926 -6.266 -7.787 1.00 0.00 C ATOM 1547 C THR B 57 1.310 -6.898 -9.031 1.00 0.00 C ATOM 1548 O THR B 57 2.000 -7.529 -9.833 1.00 0.00 O ATOM 1549 CB THR B 57 1.829 -7.270 -6.615 1.00 0.00 C ATOM 1550 OG1 THR B 57 0.458 -7.548 -6.313 1.00 0.00 O ATOM 1551 CG2 THR B 57 2.519 -6.737 -5.367 1.00 0.00 C ATOM 0 H THR B 57 0.383 -5.057 -7.022 1.00 0.00 H new ATOM 0 HA THR B 57 2.978 -6.046 -7.969 1.00 0.00 H new ATOM 0 HB THR B 57 2.332 -8.186 -6.925 1.00 0.00 H new ATOM 0 HG1 THR B 57 0.013 -6.724 -6.023 1.00 0.00 H new ATOM 0 HG21 THR B 57 2.432 -7.468 -4.563 1.00 0.00 H new ATOM 0 HG22 THR B 57 3.573 -6.558 -5.582 1.00 0.00 H new ATOM 0 HG23 THR B 57 2.047 -5.803 -5.061 1.00 0.00 H new ATOM 1559 N ALA B 58 0.017 -6.693 -9.200 1.00 0.00 N ATOM 1560 CA ALA B 58 -0.741 -7.384 -10.232 1.00 0.00 C ATOM 1561 C ALA B 58 -1.672 -6.432 -10.973 1.00 0.00 C ATOM 1562 O ALA B 58 -1.675 -5.223 -10.727 1.00 0.00 O ATOM 1563 CB ALA B 58 -1.538 -8.520 -9.605 1.00 0.00 C ATOM 0 H ALA B 58 -0.535 -6.050 -8.633 1.00 0.00 H new ATOM 0 HA ALA B 58 -0.038 -7.789 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.105 -9.037 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.856 -9.222 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.224 -8.116 -8.861 1.00 0.00 H new ATOM 1569 N ILE B 59 -2.450 -6.987 -11.891 1.00 0.00 N ATOM 1570 CA ILE B 59 -3.416 -6.221 -12.664 1.00 0.00 C ATOM 1571 C ILE B 59 -4.829 -6.700 -12.348 1.00 0.00 C ATOM 1572 O ILE B 59 -5.109 -7.898 -12.421 1.00 0.00 O ATOM 1573 CB ILE B 59 -3.154 -6.357 -14.181 1.00 0.00 C ATOM 1574 CG1 ILE B 59 -1.737 -5.882 -14.518 1.00 0.00 C ATOM 1575 CG2 ILE B 59 -4.188 -5.568 -14.974 1.00 0.00 C ATOM 1576 CD1 ILE B 59 -1.365 -6.054 -15.976 1.00 0.00 C ATOM 0 H ILE B 59 -2.429 -7.981 -12.121 1.00 0.00 H new ATOM 0 HA ILE B 59 -3.311 -5.171 -12.389 1.00 0.00 H new ATOM 0 HB ILE B 59 -3.242 -7.408 -14.457 1.00 0.00 H new ATOM 0 HG12 ILE B 59 -1.644 -4.829 -14.251 1.00 0.00 H new ATOM 0 HG13 ILE B 59 -1.024 -6.432 -13.904 1.00 0.00 H new ATOM 0 HG21 ILE B 59 -3.988 -5.675 -16.040 1.00 0.00 H new ATOM 0 HG22 ILE B 59 -5.185 -5.949 -14.752 1.00 0.00 H new ATOM 0 HG23 ILE B 59 -4.132 -4.515 -14.698 1.00 0.00 H new ATOM 0 HD11 ILE B 59 -0.348 -5.696 -16.137 1.00 0.00 H new ATOM 0 HD12 ILE B 59 -1.425 -7.109 -16.245 1.00 0.00 H new ATOM 0 HD13 ILE B 59 -2.054 -5.482 -16.597 1.00 0.00 H new ATOM 1588 N LYS B 60 -5.704 -5.758 -11.991 1.00 0.00 N ATOM 1589 CA LYS B 60 -7.084 -6.061 -11.604 1.00 0.00 C ATOM 1590 C LYS B 60 -7.101 -7.042 -10.432 1.00 0.00 C ATOM 1591 O LYS B 60 -7.230 -8.252 -10.627 1.00 0.00 O ATOM 1592 CB LYS B 60 -7.880 -6.622 -12.790 1.00 0.00 C ATOM 1593 CG LYS B 60 -9.368 -6.776 -12.510 1.00 0.00 C ATOM 1594 CD LYS B 60 -10.102 -7.360 -13.705 1.00 0.00 C ATOM 1595 CE LYS B 60 -11.597 -7.464 -13.449 1.00 0.00 C ATOM 1596 NZ LYS B 60 -12.316 -8.076 -14.596 1.00 0.00 N ATOM 0 H LYS B 60 -5.477 -4.764 -11.962 1.00 0.00 H new ATOM 0 HA LYS B 60 -7.562 -5.133 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -7.747 -5.964 -13.649 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -7.469 -7.593 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -9.511 -7.421 -11.643 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -9.794 -5.805 -12.259 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -9.925 -6.736 -14.581 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -9.702 -8.348 -13.931 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -11.771 -8.059 -12.553 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -12.002 -6.471 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -13.332 -8.128 -14.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -12.172 -7.495 -15.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -11.948 -9.034 -14.765 1.00 0.00 H new ATOM 1610 N PRO B 61 -6.967 -6.506 -9.202 1.00 0.00 N ATOM 1611 CA PRO B 61 -6.732 -7.293 -7.983 1.00 0.00 C ATOM 1612 C PRO B 61 -7.539 -8.591 -7.891 1.00 0.00 C ATOM 1613 O PRO B 61 -7.033 -9.667 -8.225 1.00 0.00 O ATOM 1614 CB PRO B 61 -7.126 -6.322 -6.870 1.00 0.00 C ATOM 1615 CG PRO B 61 -6.789 -4.981 -7.420 1.00 0.00 C ATOM 1616 CD PRO B 61 -7.041 -5.060 -8.904 1.00 0.00 C ATOM 0 HA PRO B 61 -5.701 -7.645 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -8.187 -6.399 -6.631 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -6.576 -6.525 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -7.404 -4.206 -6.961 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -5.749 -4.726 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -8.015 -4.648 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -6.295 -4.498 -9.466 1.00 0.00 H new ATOM 1624 N SER B 62 -8.785 -8.484 -7.448 1.00 0.00 N ATOM 1625 CA SER B 62 -9.654 -9.640 -7.256 1.00 0.00 C ATOM 1626 C SER B 62 -11.087 -9.166 -7.068 1.00 0.00 C ATOM 1627 O SER B 62 -11.339 -8.208 -6.339 1.00 0.00 O ATOM 1628 CB SER B 62 -9.215 -10.449 -6.030 1.00 0.00 C ATOM 1629 OG SER B 62 -7.944 -11.048 -6.221 1.00 0.00 O ATOM 0 H SER B 62 -9.223 -7.594 -7.211 1.00 0.00 H new ATOM 0 HA SER B 62 -9.587 -10.280 -8.136 1.00 0.00 H new ATOM 0 HB2 SER B 62 -9.182 -9.797 -5.157 1.00 0.00 H new ATOM 0 HB3 SER B 62 -9.954 -11.223 -5.822 1.00 0.00 H new ATOM 0 HG SER B 62 -7.651 -10.907 -7.146 1.00 0.00 H new ATOM 1635 N LEU B 63 -12.016 -9.845 -7.729 1.00 0.00 N ATOM 1636 CA LEU B 63 -13.422 -9.452 -7.717 1.00 0.00 C ATOM 1637 C LEU B 63 -14.023 -9.565 -6.320 1.00 0.00 C ATOM 1638 O LEU B 63 -14.917 -8.801 -5.964 1.00 0.00 O ATOM 1639 CB LEU B 63 -14.236 -10.293 -8.709 1.00 0.00 C ATOM 1640 CG LEU B 63 -14.138 -9.870 -10.182 1.00 0.00 C ATOM 1641 CD1 LEU B 63 -14.613 -8.436 -10.363 1.00 0.00 C ATOM 1642 CD2 LEU B 63 -12.719 -10.028 -10.704 1.00 0.00 C ATOM 0 H LEU B 63 -11.820 -10.677 -8.285 1.00 0.00 H new ATOM 0 HA LEU B 63 -13.467 -8.407 -8.023 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -13.913 -11.331 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -15.284 -10.260 -8.410 1.00 0.00 H new ATOM 0 HG LEU B 63 -14.788 -10.526 -10.761 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -14.535 -8.157 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -15.651 -8.353 -10.042 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -13.993 -7.769 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -12.680 -9.721 -11.749 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -12.044 -9.405 -10.117 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -12.415 -11.071 -10.620 1.00 0.00 H new ATOM 1654 N GLY B 64 -13.528 -10.513 -5.534 1.00 0.00 N ATOM 1655 CA GLY B 64 -13.989 -10.655 -4.164 1.00 0.00 C ATOM 1656 C GLY B 64 -13.554 -9.486 -3.304 1.00 0.00 C ATOM 1657 O GLY B 64 -14.320 -8.980 -2.477 1.00 0.00 O ATOM 0 H GLY B 64 -12.816 -11.186 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -15.076 -10.731 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -13.599 -11.582 -3.743 1.00 0.00 H new ATOM 1661 N LEU B 65 -12.321 -9.048 -3.509 1.00 0.00 N ATOM 1662 CA LEU B 65 -11.793 -7.896 -2.798 1.00 0.00 C ATOM 1663 C LEU B 65 -12.519 -6.631 -3.239 1.00 0.00 C ATOM 1664 O LEU B 65 -12.813 -5.763 -2.425 1.00 0.00 O ATOM 1665 CB LEU B 65 -10.283 -7.762 -3.030 1.00 0.00 C ATOM 1666 CG LEU B 65 -9.389 -8.660 -2.159 1.00 0.00 C ATOM 1667 CD1 LEU B 65 -9.569 -8.321 -0.687 1.00 0.00 C ATOM 1668 CD2 LEU B 65 -9.677 -10.137 -2.394 1.00 0.00 C ATOM 0 H LEU B 65 -11.666 -9.475 -4.164 1.00 0.00 H new ATOM 0 HA LEU B 65 -11.959 -8.039 -1.730 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -10.075 -7.981 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -9.999 -6.724 -2.859 1.00 0.00 H new ATOM 0 HG LEU B 65 -8.355 -8.470 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -8.929 -8.966 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -9.297 -7.279 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -10.610 -8.475 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -9.026 -10.740 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -10.718 -10.348 -2.149 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -9.494 -10.381 -3.440 1.00 0.00 H new ATOM 1680 N ILE B 66 -12.827 -6.551 -4.530 1.00 0.00 N ATOM 1681 CA ILE B 66 -13.584 -5.428 -5.075 1.00 0.00 C ATOM 1682 C ILE B 66 -15.010 -5.431 -4.523 1.00 0.00 C ATOM 1683 O ILE B 66 -15.620 -4.380 -4.323 1.00 0.00 O ATOM 1684 CB ILE B 66 -13.622 -5.479 -6.620 1.00 0.00 C ATOM 1685 CG1 ILE B 66 -12.200 -5.437 -7.181 1.00 0.00 C ATOM 1686 CG2 ILE B 66 -14.457 -4.337 -7.189 1.00 0.00 C ATOM 1687 CD1 ILE B 66 -11.442 -4.164 -6.859 1.00 0.00 C ATOM 0 H ILE B 66 -12.563 -7.253 -5.221 1.00 0.00 H new ATOM 0 HA ILE B 66 -13.083 -4.509 -4.772 1.00 0.00 H new ATOM 0 HB ILE B 66 -14.093 -6.415 -6.920 1.00 0.00 H new ATOM 0 HG12 ILE B 66 -11.642 -6.288 -6.790 1.00 0.00 H new ATOM 0 HG13 ILE B 66 -12.245 -5.556 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE B 66 -14.465 -4.399 -8.277 1.00 0.00 H new ATOM 0 HG22 ILE B 66 -15.478 -4.411 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE B 66 -14.026 -3.384 -6.883 1.00 0.00 H new ATOM 0 HD11 ILE B 66 -10.443 -4.215 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE B 66 -11.975 -3.308 -7.274 1.00 0.00 H new ATOM 0 HD13 ILE B 66 -11.362 -4.052 -5.778 1.00 0.00 H new ATOM 1699 N ASN B 67 -15.528 -6.623 -4.266 1.00 0.00 N ATOM 1700 CA ASN B 67 -16.851 -6.775 -3.668 1.00 0.00 C ATOM 1701 C ASN B 67 -16.891 -6.150 -2.278 1.00 0.00 C ATOM 1702 O ASN B 67 -17.833 -5.439 -1.934 1.00 0.00 O ATOM 1703 CB ASN B 67 -17.238 -8.256 -3.585 1.00 0.00 C ATOM 1704 CG ASN B 67 -18.584 -8.474 -2.916 1.00 0.00 C ATOM 1705 OD1 ASN B 67 -18.669 -8.642 -1.698 1.00 0.00 O ATOM 1706 ND2 ASN B 67 -19.644 -8.476 -3.707 1.00 0.00 N ATOM 0 H ASN B 67 -15.052 -7.504 -4.462 1.00 0.00 H new ATOM 0 HA ASN B 67 -17.569 -6.258 -4.304 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -17.264 -8.677 -4.590 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -16.470 -8.797 -3.032 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -20.574 -8.620 -3.313 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -19.532 -8.333 -4.711 1.00 0.00 H new ATOM 1713 N ARG B 68 -15.854 -6.395 -1.487 1.00 0.00 N ATOM 1714 CA ARG B 68 -15.804 -5.865 -0.126 1.00 0.00 C ATOM 1715 C ARG B 68 -15.245 -4.442 -0.126 1.00 0.00 C ATOM 1716 O ARG B 68 -15.379 -3.704 0.847 1.00 0.00 O ATOM 1717 CB ARG B 68 -14.966 -6.777 0.775 1.00 0.00 C ATOM 1718 CG ARG B 68 -14.936 -6.335 2.231 1.00 0.00 C ATOM 1719 CD ARG B 68 -14.264 -7.368 3.117 1.00 0.00 C ATOM 1720 NE ARG B 68 -15.033 -8.607 3.186 1.00 0.00 N ATOM 1721 CZ ARG B 68 -14.650 -9.685 3.863 1.00 0.00 C ATOM 1722 NH1 ARG B 68 -13.496 -9.691 4.523 1.00 0.00 N ATOM 1723 NH2 ARG B 68 -15.425 -10.762 3.880 1.00 0.00 N ATOM 0 H ARG B 68 -15.043 -6.951 -1.758 1.00 0.00 H new ATOM 0 HA ARG B 68 -16.819 -5.833 0.270 1.00 0.00 H new ATOM 0 HB2 ARG B 68 -15.362 -7.791 0.720 1.00 0.00 H new ATOM 0 HB3 ARG B 68 -13.945 -6.812 0.394 1.00 0.00 H new ATOM 0 HG2 ARG B 68 -14.406 -5.386 2.312 1.00 0.00 H new ATOM 0 HG3 ARG B 68 -15.954 -6.163 2.580 1.00 0.00 H new ATOM 0 HD2 ARG B 68 -13.266 -7.581 2.734 1.00 0.00 H new ATOM 0 HD3 ARG B 68 -14.140 -6.961 4.120 1.00 0.00 H new ATOM 0 HE ARG B 68 -15.920 -8.648 2.683 1.00 0.00 H new ATOM 0 HH11 ARG B 68 -12.898 -8.865 4.512 1.00 0.00 H new ATOM 0 HH12 ARG B 68 -13.209 -10.522 5.040 1.00 0.00 H new ATOM 0 HH21 ARG B 68 -16.311 -10.761 3.375 1.00 0.00 H new ATOM 0 HH22 ARG B 68 -15.135 -11.591 4.398 1.00 0.00 H new ATOM 1737 N TRP B 69 -14.643 -4.070 -1.242 1.00 0.00 N ATOM 1738 CA TRP B 69 -14.060 -2.747 -1.431 1.00 0.00 C ATOM 1739 C TRP B 69 -15.106 -1.656 -1.216 1.00 0.00 C ATOM 1740 O TRP B 69 -14.883 -0.703 -0.473 1.00 0.00 O ATOM 1741 CB TRP B 69 -13.494 -2.682 -2.847 1.00 0.00 C ATOM 1742 CG TRP B 69 -12.624 -1.506 -3.144 1.00 0.00 C ATOM 1743 CD1 TRP B 69 -11.617 -1.009 -2.377 1.00 0.00 C ATOM 1744 CD2 TRP B 69 -12.656 -0.710 -4.329 1.00 0.00 C ATOM 1745 NE1 TRP B 69 -11.019 0.049 -3.015 1.00 0.00 N ATOM 1746 CE2 TRP B 69 -11.640 0.251 -4.216 1.00 0.00 C ATOM 1747 CE3 TRP B 69 -13.450 -0.720 -5.472 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 -11.391 1.190 -5.210 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 -13.206 0.211 -6.459 1.00 0.00 C ATOM 1750 CH2 TRP B 69 -12.181 1.153 -6.323 1.00 0.00 C ATOM 0 H TRP B 69 -14.543 -4.681 -2.052 1.00 0.00 H new ATOM 0 HA TRP B 69 -13.267 -2.580 -0.702 1.00 0.00 H new ATOM 0 HB2 TRP B 69 -12.920 -3.590 -3.031 1.00 0.00 H new ATOM 0 HB3 TRP B 69 -14.326 -2.682 -3.551 1.00 0.00 H new ATOM 0 HD1 TRP B 69 -11.330 -1.391 -1.408 1.00 0.00 H new ATOM 0 HE1 TRP B 69 -10.238 0.596 -2.652 1.00 0.00 H new ATOM 0 HE3 TRP B 69 -14.243 -1.444 -5.584 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 -10.603 1.921 -5.106 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 -13.815 0.213 -7.351 1.00 0.00 H new ATOM 0 HH2 TRP B 69 -12.011 1.867 -7.116 1.00 0.00 H new ATOM 1761 N GLY B 70 -16.262 -1.826 -1.845 1.00 0.00 N ATOM 1762 CA GLY B 70 -17.342 -0.868 -1.690 1.00 0.00 C ATOM 1763 C GLY B 70 -18.084 -1.042 -0.379 1.00 0.00 C ATOM 1764 O GLY B 70 -18.993 -0.274 -0.064 1.00 0.00 O ATOM 0 H GLY B 70 -16.472 -2.611 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY B 70 -16.938 0.143 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY B 70 -18.042 -0.977 -2.518 1.00 0.00 H new ATOM 1768 N SER B 71 -17.696 -2.052 0.388 1.00 0.00 N ATOM 1769 CA SER B 71 -18.303 -2.305 1.684 1.00 0.00 C ATOM 1770 C SER B 71 -17.517 -1.576 2.771 1.00 0.00 C ATOM 1771 O SER B 71 -17.985 -1.426 3.902 1.00 0.00 O ATOM 1772 CB SER B 71 -18.349 -3.812 1.960 1.00 0.00 C ATOM 1773 OG SER B 71 -19.115 -4.107 3.117 1.00 0.00 O ATOM 0 H SER B 71 -16.961 -2.711 0.132 1.00 0.00 H new ATOM 0 HA SER B 71 -19.326 -1.929 1.684 1.00 0.00 H new ATOM 0 HB2 SER B 71 -18.775 -4.327 1.099 1.00 0.00 H new ATOM 0 HB3 SER B 71 -17.335 -4.190 2.088 1.00 0.00 H new ATOM 0 HG SER B 71 -18.989 -3.398 3.782 1.00 0.00 H new ATOM 1779 N VAL B 72 -16.322 -1.121 2.414 1.00 0.00 N ATOM 1780 CA VAL B 72 -15.499 -0.331 3.315 1.00 0.00 C ATOM 1781 C VAL B 72 -16.145 1.029 3.535 1.00 0.00 C ATOM 1782 O VAL B 72 -16.549 1.689 2.575 1.00 0.00 O ATOM 1783 CB VAL B 72 -14.073 -0.124 2.749 1.00 0.00 C ATOM 1784 CG1 VAL B 72 -13.218 0.713 3.696 1.00 0.00 C ATOM 1785 CG2 VAL B 72 -13.405 -1.461 2.464 1.00 0.00 C ATOM 0 H VAL B 72 -15.901 -1.288 1.500 1.00 0.00 H new ATOM 0 HA VAL B 72 -15.421 -0.873 4.257 1.00 0.00 H new ATOM 0 HB VAL B 72 -14.165 0.421 1.810 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -12.223 0.841 3.271 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -13.681 1.690 3.837 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -13.139 0.207 4.658 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -12.404 -1.290 2.067 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -13.336 -2.037 3.387 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -13.995 -2.014 1.734 1.00 0.00 H new ATOM 1795 N GLY B 73 -16.272 1.429 4.793 1.00 0.00 N ATOM 1796 CA GLY B 73 -16.783 2.743 5.093 1.00 0.00 C ATOM 1797 C GLY B 73 -15.890 3.801 4.500 1.00 0.00 C ATOM 1798 O GLY B 73 -14.698 3.835 4.790 1.00 0.00 O ATOM 0 H GLY B 73 -16.029 0.865 5.607 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -17.793 2.847 4.697 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -16.849 2.877 6.173 1.00 0.00 H new ATOM 1802 N LYS B 74 -16.452 4.646 3.652 1.00 0.00 N ATOM 1803 CA LYS B 74 -15.669 5.653 2.952 1.00 0.00 C ATOM 1804 C LYS B 74 -14.972 6.590 3.933 1.00 0.00 C ATOM 1805 O LYS B 74 -13.879 7.074 3.661 1.00 0.00 O ATOM 1806 CB LYS B 74 -16.549 6.426 1.968 1.00 0.00 C ATOM 1807 CG LYS B 74 -17.867 6.900 2.557 1.00 0.00 C ATOM 1808 CD LYS B 74 -18.784 7.459 1.483 1.00 0.00 C ATOM 1809 CE LYS B 74 -18.203 8.701 0.837 1.00 0.00 C ATOM 1810 NZ LYS B 74 -18.018 9.809 1.813 1.00 0.00 N ATOM 0 H LYS B 74 -17.448 4.656 3.431 1.00 0.00 H new ATOM 0 HA LYS B 74 -14.891 5.146 2.382 1.00 0.00 H new ATOM 0 HB2 LYS B 74 -15.995 7.290 1.603 1.00 0.00 H new ATOM 0 HB3 LYS B 74 -16.755 5.792 1.106 1.00 0.00 H new ATOM 0 HG2 LYS B 74 -18.360 6.070 3.063 1.00 0.00 H new ATOM 0 HG3 LYS B 74 -17.677 7.665 3.310 1.00 0.00 H new ATOM 0 HD2 LYS B 74 -18.956 6.699 0.720 1.00 0.00 H new ATOM 0 HD3 LYS B 74 -19.754 7.697 1.921 1.00 0.00 H new ATOM 0 HE2 LYS B 74 -17.243 8.456 0.382 1.00 0.00 H new ATOM 0 HE3 LYS B 74 -18.861 9.033 0.034 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 -17.832 10.695 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 -18.880 9.915 2.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 -17.213 9.593 2.435 1.00 0.00 H new ATOM 1824 N LYS B 75 -15.598 6.821 5.080 1.00 0.00 N ATOM 1825 CA LYS B 75 -14.972 7.587 6.151 1.00 0.00 C ATOM 1826 C LYS B 75 -13.745 6.850 6.678 1.00 0.00 C ATOM 1827 O LYS B 75 -12.672 7.437 6.832 1.00 0.00 O ATOM 1828 CB LYS B 75 -15.972 7.822 7.283 1.00 0.00 C ATOM 1829 CG LYS B 75 -15.353 8.387 8.556 1.00 0.00 C ATOM 1830 CD LYS B 75 -14.760 9.773 8.344 1.00 0.00 C ATOM 1831 CE LYS B 75 -14.035 10.253 9.591 1.00 0.00 C ATOM 1832 NZ LYS B 75 -13.493 11.629 9.436 1.00 0.00 N ATOM 0 H LYS B 75 -16.539 6.489 5.293 1.00 0.00 H new ATOM 0 HA LYS B 75 -14.657 8.552 5.754 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -16.745 8.506 6.934 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -16.464 6.879 7.519 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -16.112 8.435 9.336 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -14.574 7.711 8.910 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -14.068 9.751 7.502 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -15.552 10.476 8.087 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -14.720 10.228 10.439 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -13.219 9.568 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -13.008 11.912 10.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -12.819 11.649 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -14.273 12.290 9.244 1.00 0.00 H new ATOM 1846 N GLU B 76 -13.916 5.559 6.937 1.00 0.00 N ATOM 1847 CA GLU B 76 -12.824 4.714 7.396 1.00 0.00 C ATOM 1848 C GLU B 76 -11.714 4.698 6.354 1.00 0.00 C ATOM 1849 O GLU B 76 -10.541 4.839 6.686 1.00 0.00 O ATOM 1850 CB GLU B 76 -13.328 3.290 7.650 1.00 0.00 C ATOM 1851 CG GLU B 76 -12.299 2.368 8.290 1.00 0.00 C ATOM 1852 CD GLU B 76 -11.951 2.766 9.709 1.00 0.00 C ATOM 1853 OE1 GLU B 76 -12.876 3.085 10.483 1.00 0.00 O ATOM 1854 OE2 GLU B 76 -10.750 2.747 10.064 1.00 0.00 O ATOM 0 H GLU B 76 -14.807 5.073 6.836 1.00 0.00 H new ATOM 0 HA GLU B 76 -12.432 5.116 8.330 1.00 0.00 H new ATOM 0 HB2 GLU B 76 -14.207 3.337 8.293 1.00 0.00 H new ATOM 0 HB3 GLU B 76 -13.649 2.856 6.703 1.00 0.00 H new ATOM 0 HG2 GLU B 76 -12.682 1.348 8.288 1.00 0.00 H new ATOM 0 HG3 GLU B 76 -11.392 2.369 7.685 1.00 0.00 H new ATOM 1861 N ALA B 77 -12.107 4.552 5.089 1.00 0.00 N ATOM 1862 CA ALA B 77 -11.167 4.554 3.977 1.00 0.00 C ATOM 1863 C ALA B 77 -10.355 5.845 3.957 1.00 0.00 C ATOM 1864 O ALA B 77 -9.143 5.819 3.767 1.00 0.00 O ATOM 1865 CB ALA B 77 -11.907 4.373 2.660 1.00 0.00 C ATOM 0 H ALA B 77 -13.081 4.430 4.811 1.00 0.00 H new ATOM 0 HA ALA B 77 -10.478 3.720 4.109 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -11.192 4.376 1.837 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -12.443 3.424 2.671 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -12.617 5.189 2.527 1.00 0.00 H new ATOM 1871 N MET B 78 -11.038 6.970 4.171 1.00 0.00 N ATOM 1872 CA MET B 78 -10.389 8.280 4.231 1.00 0.00 C ATOM 1873 C MET B 78 -9.289 8.288 5.287 1.00 0.00 C ATOM 1874 O MET B 78 -8.198 8.820 5.063 1.00 0.00 O ATOM 1875 CB MET B 78 -11.418 9.369 4.557 1.00 0.00 C ATOM 1876 CG MET B 78 -12.438 9.614 3.455 1.00 0.00 C ATOM 1877 SD MET B 78 -11.812 10.660 2.129 1.00 0.00 S ATOM 1878 CE MET B 78 -11.677 12.223 2.992 1.00 0.00 C ATOM 0 H MET B 78 -12.049 7.000 4.307 1.00 0.00 H new ATOM 0 HA MET B 78 -9.945 8.483 3.256 1.00 0.00 H new ATOM 0 HB2 MET B 78 -11.946 9.093 5.470 1.00 0.00 H new ATOM 0 HB3 MET B 78 -10.891 10.301 4.763 1.00 0.00 H new ATOM 0 HG2 MET B 78 -12.749 8.656 3.038 1.00 0.00 H new ATOM 0 HG3 MET B 78 -13.325 10.077 3.886 1.00 0.00 H new ATOM 0 HE1 MET B 78 -11.741 13.041 2.275 1.00 0.00 H new ATOM 0 HE2 MET B 78 -12.488 12.311 3.715 1.00 0.00 H new ATOM 0 HE3 MET B 78 -10.720 12.270 3.512 1.00 0.00 H new ATOM 1888 N GLU B 79 -9.583 7.685 6.434 1.00 0.00 N ATOM 1889 CA GLU B 79 -8.631 7.622 7.533 1.00 0.00 C ATOM 1890 C GLU B 79 -7.513 6.631 7.227 1.00 0.00 C ATOM 1891 O GLU B 79 -6.342 6.895 7.511 1.00 0.00 O ATOM 1892 CB GLU B 79 -9.342 7.236 8.831 1.00 0.00 C ATOM 1893 CG GLU B 79 -10.444 8.208 9.218 1.00 0.00 C ATOM 1894 CD GLU B 79 -11.061 7.892 10.564 1.00 0.00 C ATOM 1895 OE1 GLU B 79 -11.875 6.953 10.647 1.00 0.00 O ATOM 1896 OE2 GLU B 79 -10.733 8.585 11.553 1.00 0.00 O ATOM 0 H GLU B 79 -10.477 7.232 6.625 1.00 0.00 H new ATOM 0 HA GLU B 79 -8.187 8.610 7.656 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -9.767 6.238 8.723 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -8.611 7.185 9.638 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -10.039 9.220 9.238 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -11.222 8.191 8.454 1.00 0.00 H new ATOM 1903 N ILE B 80 -7.883 5.497 6.641 1.00 0.00 N ATOM 1904 CA ILE B 80 -6.918 4.473 6.255 1.00 0.00 C ATOM 1905 C ILE B 80 -5.926 5.029 5.240 1.00 0.00 C ATOM 1906 O ILE B 80 -4.719 4.913 5.418 1.00 0.00 O ATOM 1907 CB ILE B 80 -7.613 3.233 5.649 1.00 0.00 C ATOM 1908 CG1 ILE B 80 -8.551 2.590 6.672 1.00 0.00 C ATOM 1909 CG2 ILE B 80 -6.579 2.219 5.168 1.00 0.00 C ATOM 1910 CD1 ILE B 80 -9.463 1.540 6.077 1.00 0.00 C ATOM 0 H ILE B 80 -8.851 5.263 6.422 1.00 0.00 H new ATOM 0 HA ILE B 80 -6.392 4.171 7.161 1.00 0.00 H new ATOM 0 HB ILE B 80 -8.204 3.557 4.792 1.00 0.00 H new ATOM 0 HG12 ILE B 80 -7.956 2.136 7.464 1.00 0.00 H new ATOM 0 HG13 ILE B 80 -9.159 3.367 7.135 1.00 0.00 H new ATOM 0 HG21 ILE B 80 -7.088 1.353 4.745 1.00 0.00 H new ATOM 0 HG22 ILE B 80 -5.947 2.677 4.407 1.00 0.00 H new ATOM 0 HG23 ILE B 80 -5.962 1.902 6.009 1.00 0.00 H new ATOM 0 HD11 ILE B 80 -10.100 1.126 6.859 1.00 0.00 H new ATOM 0 HD12 ILE B 80 -10.084 1.993 5.304 1.00 0.00 H new ATOM 0 HD13 ILE B 80 -8.863 0.743 5.639 1.00 0.00 H new ATOM 1922 N ILE B 81 -6.448 5.645 4.189 1.00 0.00 N ATOM 1923 CA ILE B 81 -5.617 6.198 3.129 1.00 0.00 C ATOM 1924 C ILE B 81 -4.712 7.310 3.664 1.00 0.00 C ATOM 1925 O ILE B 81 -3.558 7.435 3.248 1.00 0.00 O ATOM 1926 CB ILE B 81 -6.484 6.730 1.964 1.00 0.00 C ATOM 1927 CG1 ILE B 81 -7.293 5.589 1.334 1.00 0.00 C ATOM 1928 CG2 ILE B 81 -5.628 7.419 0.912 1.00 0.00 C ATOM 1929 CD1 ILE B 81 -6.447 4.460 0.779 1.00 0.00 C ATOM 0 H ILE B 81 -7.450 5.775 4.047 1.00 0.00 H new ATOM 0 HA ILE B 81 -4.987 5.393 2.751 1.00 0.00 H new ATOM 0 HB ILE B 81 -7.176 7.468 2.369 1.00 0.00 H new ATOM 0 HG12 ILE B 81 -7.973 5.184 2.083 1.00 0.00 H new ATOM 0 HG13 ILE B 81 -7.909 5.995 0.531 1.00 0.00 H new ATOM 0 HG21 ILE B 81 -6.265 7.783 0.106 1.00 0.00 H new ATOM 0 HG22 ILE B 81 -5.101 8.259 1.365 1.00 0.00 H new ATOM 0 HG23 ILE B 81 -4.904 6.710 0.511 1.00 0.00 H new ATOM 0 HD11 ILE B 81 -7.096 3.695 0.352 1.00 0.00 H new ATOM 0 HD12 ILE B 81 -5.785 4.848 0.005 1.00 0.00 H new ATOM 0 HD13 ILE B 81 -5.851 4.024 1.581 1.00 0.00 H new ATOM 1941 N LYS B 82 -5.230 8.097 4.602 1.00 0.00 N ATOM 1942 CA LYS B 82 -4.450 9.165 5.217 1.00 0.00 C ATOM 1943 C LYS B 82 -3.233 8.580 5.935 1.00 0.00 C ATOM 1944 O LYS B 82 -2.092 8.972 5.674 1.00 0.00 O ATOM 1945 CB LYS B 82 -5.328 9.962 6.197 1.00 0.00 C ATOM 1946 CG LYS B 82 -4.735 11.298 6.646 1.00 0.00 C ATOM 1947 CD LYS B 82 -3.681 11.139 7.736 1.00 0.00 C ATOM 1948 CE LYS B 82 -4.288 10.682 9.057 1.00 0.00 C ATOM 1949 NZ LYS B 82 -5.233 11.686 9.619 1.00 0.00 N ATOM 0 H LYS B 82 -6.185 8.015 4.952 1.00 0.00 H new ATOM 0 HA LYS B 82 -4.098 9.843 4.439 1.00 0.00 H new ATOM 0 HB2 LYS B 82 -6.294 10.148 5.729 1.00 0.00 H new ATOM 0 HB3 LYS B 82 -5.514 9.348 7.078 1.00 0.00 H new ATOM 0 HG2 LYS B 82 -4.290 11.800 5.787 1.00 0.00 H new ATOM 0 HG3 LYS B 82 -5.535 11.941 7.012 1.00 0.00 H new ATOM 0 HD2 LYS B 82 -2.932 10.417 7.413 1.00 0.00 H new ATOM 0 HD3 LYS B 82 -3.166 12.088 7.883 1.00 0.00 H new ATOM 0 HE2 LYS B 82 -4.811 9.737 8.907 1.00 0.00 H new ATOM 0 HE3 LYS B 82 -3.490 10.494 9.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 -5.424 11.462 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 -4.812 12.635 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 -6.124 11.663 9.082 1.00 0.00 H new ATOM 1963 N LYS B 83 -3.478 7.620 6.819 1.00 0.00 N ATOM 1964 CA LYS B 83 -2.407 7.015 7.601 1.00 0.00 C ATOM 1965 C LYS B 83 -1.546 6.108 6.722 1.00 0.00 C ATOM 1966 O LYS B 83 -0.404 5.799 7.063 1.00 0.00 O ATOM 1967 CB LYS B 83 -2.984 6.233 8.790 1.00 0.00 C ATOM 1968 CG LYS B 83 -3.778 4.996 8.395 1.00 0.00 C ATOM 1969 CD LYS B 83 -4.533 4.400 9.578 1.00 0.00 C ATOM 1970 CE LYS B 83 -3.599 3.969 10.701 1.00 0.00 C ATOM 1971 NZ LYS B 83 -2.675 2.882 10.281 1.00 0.00 N ATOM 0 H LYS B 83 -4.407 7.245 7.012 1.00 0.00 H new ATOM 0 HA LYS B 83 -1.773 7.811 7.992 1.00 0.00 H new ATOM 0 HB2 LYS B 83 -2.166 5.932 9.445 1.00 0.00 H new ATOM 0 HB3 LYS B 83 -3.628 6.895 9.368 1.00 0.00 H new ATOM 0 HG2 LYS B 83 -4.485 5.255 7.607 1.00 0.00 H new ATOM 0 HG3 LYS B 83 -3.102 4.247 7.982 1.00 0.00 H new ATOM 0 HD2 LYS B 83 -5.243 5.134 9.960 1.00 0.00 H new ATOM 0 HD3 LYS B 83 -5.113 3.541 9.241 1.00 0.00 H new ATOM 0 HE2 LYS B 83 -3.017 4.828 11.037 1.00 0.00 H new ATOM 0 HE3 LYS B 83 -4.190 3.632 11.553 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 -2.130 2.552 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 -3.225 2.091 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 -2.023 3.242 9.555 1.00 0.00 H new ATOM 1985 N PHE B 84 -2.104 5.692 5.591 1.00 0.00 N ATOM 1986 CA PHE B 84 -1.383 4.869 4.632 1.00 0.00 C ATOM 1987 C PHE B 84 -0.262 5.683 3.999 1.00 0.00 C ATOM 1988 O PHE B 84 0.900 5.278 4.009 1.00 0.00 O ATOM 1989 CB PHE B 84 -2.337 4.359 3.549 1.00 0.00 C ATOM 1990 CG PHE B 84 -1.971 3.012 2.990 1.00 0.00 C ATOM 1991 CD1 PHE B 84 -0.842 2.849 2.204 1.00 0.00 C ATOM 1992 CD2 PHE B 84 -2.767 1.907 3.248 1.00 0.00 C ATOM 1993 CE1 PHE B 84 -0.514 1.610 1.686 1.00 0.00 C ATOM 1994 CE2 PHE B 84 -2.444 0.666 2.734 1.00 0.00 C ATOM 1995 CZ PHE B 84 -1.316 0.518 1.952 1.00 0.00 C ATOM 0 H PHE B 84 -3.061 5.914 5.316 1.00 0.00 H new ATOM 0 HA PHE B 84 -0.955 4.011 5.151 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -3.344 4.307 3.963 1.00 0.00 H new ATOM 0 HB3 PHE B 84 -2.364 5.083 2.734 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -0.211 3.700 1.993 1.00 0.00 H new ATOM 0 HD2 PHE B 84 -3.651 2.018 3.859 1.00 0.00 H new ATOM 0 HE1 PHE B 84 0.369 1.496 1.074 1.00 0.00 H new ATOM 0 HE2 PHE B 84 -3.073 -0.187 2.944 1.00 0.00 H new ATOM 0 HZ PHE B 84 -1.061 -0.451 1.549 1.00 0.00 H new ATOM 2005 N LYS B 85 -0.623 6.850 3.474 1.00 0.00 N ATOM 2006 CA LYS B 85 0.337 7.736 2.829 1.00 0.00 C ATOM 2007 C LYS B 85 1.408 8.190 3.814 1.00 0.00 C ATOM 2008 O LYS B 85 2.588 8.270 3.468 1.00 0.00 O ATOM 2009 CB LYS B 85 -0.372 8.955 2.239 1.00 0.00 C ATOM 2010 CG LYS B 85 -1.395 8.614 1.170 1.00 0.00 C ATOM 2011 CD LYS B 85 -2.063 9.866 0.631 1.00 0.00 C ATOM 2012 CE LYS B 85 -3.099 9.536 -0.430 1.00 0.00 C ATOM 2013 NZ LYS B 85 -3.835 10.746 -0.881 1.00 0.00 N ATOM 0 H LYS B 85 -1.579 7.204 3.484 1.00 0.00 H new ATOM 0 HA LYS B 85 0.818 7.179 2.025 1.00 0.00 H new ATOM 0 HB2 LYS B 85 -0.868 9.499 3.043 1.00 0.00 H new ATOM 0 HB3 LYS B 85 0.374 9.626 1.813 1.00 0.00 H new ATOM 0 HG2 LYS B 85 -0.908 8.078 0.355 1.00 0.00 H new ATOM 0 HG3 LYS B 85 -2.150 7.946 1.585 1.00 0.00 H new ATOM 0 HD2 LYS B 85 -2.539 10.406 1.449 1.00 0.00 H new ATOM 0 HD3 LYS B 85 -1.308 10.529 0.209 1.00 0.00 H new ATOM 0 HE2 LYS B 85 -2.608 9.070 -1.284 1.00 0.00 H new ATOM 0 HE3 LYS B 85 -3.806 8.808 -0.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 -4.803 10.482 -1.156 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 -3.872 11.439 -0.106 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 -3.346 11.166 -1.697 1.00 0.00 H new ATOM 2027 N LYS B 86 0.993 8.478 5.041 1.00 0.00 N ATOM 2028 CA LYS B 86 1.919 8.931 6.074 1.00 0.00 C ATOM 2029 C LYS B 86 2.936 7.849 6.428 1.00 0.00 C ATOM 2030 O LYS B 86 4.108 8.149 6.666 1.00 0.00 O ATOM 2031 CB LYS B 86 1.160 9.382 7.326 1.00 0.00 C ATOM 2032 CG LYS B 86 0.819 10.869 7.339 1.00 0.00 C ATOM 2033 CD LYS B 86 -0.028 11.277 6.143 1.00 0.00 C ATOM 2034 CE LYS B 86 -0.330 12.769 6.147 1.00 0.00 C ATOM 2035 NZ LYS B 86 0.899 13.591 5.986 1.00 0.00 N ATOM 0 H LYS B 86 0.022 8.406 5.346 1.00 0.00 H new ATOM 0 HA LYS B 86 2.465 9.784 5.672 1.00 0.00 H new ATOM 0 HB2 LYS B 86 0.238 8.807 7.407 1.00 0.00 H new ATOM 0 HB3 LYS B 86 1.759 9.149 8.206 1.00 0.00 H new ATOM 0 HG2 LYS B 86 0.285 11.109 8.258 1.00 0.00 H new ATOM 0 HG3 LYS B 86 1.741 11.451 7.344 1.00 0.00 H new ATOM 0 HD2 LYS B 86 0.493 11.014 5.222 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -0.963 10.717 6.152 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -1.027 12.999 5.341 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -0.824 13.036 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 0.634 14.581 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 1.469 13.536 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 1.454 13.232 5.183 1.00 0.00 H new ATOM 2049 N ASP B 87 2.498 6.595 6.451 1.00 0.00 N ATOM 2050 CA ASP B 87 3.403 5.489 6.752 1.00 0.00 C ATOM 2051 C ASP B 87 4.334 5.245 5.575 1.00 0.00 C ATOM 2052 O ASP B 87 5.515 4.947 5.754 1.00 0.00 O ATOM 2053 CB ASP B 87 2.626 4.215 7.083 1.00 0.00 C ATOM 2054 CG ASP B 87 3.508 3.135 7.684 1.00 0.00 C ATOM 2055 OD1 ASP B 87 4.302 3.451 8.597 1.00 0.00 O ATOM 2056 OD2 ASP B 87 3.377 1.959 7.291 1.00 0.00 O ATOM 0 H ASP B 87 1.533 6.319 6.267 1.00 0.00 H new ATOM 0 HA ASP B 87 3.994 5.760 7.627 1.00 0.00 H new ATOM 0 HB2 ASP B 87 1.823 4.454 7.781 1.00 0.00 H new ATOM 0 HB3 ASP B 87 2.157 3.833 6.176 1.00 0.00 H new ATOM 2061 N LEU B 88 3.795 5.396 4.367 1.00 0.00 N ATOM 2062 CA LEU B 88 4.594 5.298 3.151 1.00 0.00 C ATOM 2063 C LEU B 88 5.701 6.340 3.166 1.00 0.00 C ATOM 2064 O LEU B 88 6.847 6.050 2.831 1.00 0.00 O ATOM 2065 CB LEU B 88 3.723 5.502 1.909 1.00 0.00 C ATOM 2066 CG LEU B 88 2.667 4.427 1.653 1.00 0.00 C ATOM 2067 CD1 LEU B 88 1.834 4.796 0.437 1.00 0.00 C ATOM 2068 CD2 LEU B 88 3.320 3.067 1.457 1.00 0.00 C ATOM 0 H LEU B 88 2.806 5.587 4.206 1.00 0.00 H new ATOM 0 HA LEU B 88 5.032 4.300 3.115 1.00 0.00 H new ATOM 0 HB2 LEU B 88 3.220 6.465 1.995 1.00 0.00 H new ATOM 0 HB3 LEU B 88 4.374 5.560 1.037 1.00 0.00 H new ATOM 0 HG LEU B 88 2.014 4.367 2.523 1.00 0.00 H new ATOM 0 HD11 LEU B 88 1.084 4.025 0.262 1.00 0.00 H new ATOM 0 HD12 LEU B 88 1.338 5.751 0.612 1.00 0.00 H new ATOM 0 HD13 LEU B 88 2.481 4.878 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU B 88 2.550 2.317 1.276 1.00 0.00 H new ATOM 0 HD22 LEU B 88 3.995 3.107 0.602 1.00 0.00 H new ATOM 0 HD23 LEU B 88 3.883 2.801 2.352 1.00 0.00 H new ATOM 2080 N ALA B 89 5.342 7.555 3.566 1.00 0.00 N ATOM 2081 CA ALA B 89 6.297 8.647 3.668 1.00 0.00 C ATOM 2082 C ALA B 89 7.388 8.315 4.677 1.00 0.00 C ATOM 2083 O ALA B 89 8.573 8.510 4.415 1.00 0.00 O ATOM 2084 CB ALA B 89 5.585 9.929 4.063 1.00 0.00 C ATOM 0 H ALA B 89 4.389 7.807 3.826 1.00 0.00 H new ATOM 0 HA ALA B 89 6.764 8.790 2.694 1.00 0.00 H new ATOM 0 HB1 ALA B 89 6.310 10.740 4.136 1.00 0.00 H new ATOM 0 HB2 ALA B 89 4.838 10.177 3.309 1.00 0.00 H new ATOM 0 HB3 ALA B 89 5.096 9.791 5.027 1.00 0.00 H new ATOM 2090 N ALA B 90 6.975 7.800 5.829 1.00 0.00 N ATOM 2091 CA ALA B 90 7.911 7.414 6.874 1.00 0.00 C ATOM 2092 C ALA B 90 8.869 6.339 6.374 1.00 0.00 C ATOM 2093 O ALA B 90 10.088 6.479 6.489 1.00 0.00 O ATOM 2094 CB ALA B 90 7.159 6.928 8.103 1.00 0.00 C ATOM 0 H ALA B 90 5.995 7.640 6.062 1.00 0.00 H new ATOM 0 HA ALA B 90 8.498 8.290 7.148 1.00 0.00 H new ATOM 0 HB1 ALA B 90 7.872 6.643 8.877 1.00 0.00 H new ATOM 0 HB2 ALA B 90 6.518 7.727 8.477 1.00 0.00 H new ATOM 0 HB3 ALA B 90 6.547 6.066 7.838 1.00 0.00 H new ATOM 2100 N MET B 91 8.313 5.281 5.795 1.00 0.00 N ATOM 2101 CA MET B 91 9.114 4.174 5.285 1.00 0.00 C ATOM 2102 C MET B 91 10.031 4.639 4.158 1.00 0.00 C ATOM 2103 O MET B 91 11.163 4.172 4.037 1.00 0.00 O ATOM 2104 CB MET B 91 8.214 3.030 4.812 1.00 0.00 C ATOM 2105 CG MET B 91 7.468 2.344 5.947 1.00 0.00 C ATOM 2106 SD MET B 91 6.494 0.927 5.402 1.00 0.00 S ATOM 2107 CE MET B 91 5.306 1.716 4.317 1.00 0.00 C ATOM 0 H MET B 91 7.308 5.166 5.667 1.00 0.00 H new ATOM 0 HA MET B 91 9.739 3.805 6.099 1.00 0.00 H new ATOM 0 HB2 MET B 91 7.492 3.418 4.094 1.00 0.00 H new ATOM 0 HB3 MET B 91 8.821 2.292 4.287 1.00 0.00 H new ATOM 0 HG2 MET B 91 8.186 2.016 6.699 1.00 0.00 H new ATOM 0 HG3 MET B 91 6.809 3.066 6.429 1.00 0.00 H new ATOM 0 HE1 MET B 91 4.502 1.017 4.088 1.00 0.00 H new ATOM 0 HE2 MET B 91 4.892 2.596 4.809 1.00 0.00 H new ATOM 0 HE3 MET B 91 5.800 2.016 3.393 1.00 0.00 H new ATOM 2117 N LEU B 92 9.542 5.572 3.350 1.00 0.00 N ATOM 2118 CA LEU B 92 10.339 6.168 2.283 1.00 0.00 C ATOM 2119 C LEU B 92 11.585 6.835 2.856 1.00 0.00 C ATOM 2120 O LEU B 92 12.699 6.627 2.367 1.00 0.00 O ATOM 2121 CB LEU B 92 9.503 7.195 1.515 1.00 0.00 C ATOM 2122 CG LEU B 92 10.247 7.971 0.427 1.00 0.00 C ATOM 2123 CD1 LEU B 92 10.809 7.024 -0.623 1.00 0.00 C ATOM 2124 CD2 LEU B 92 9.324 8.995 -0.213 1.00 0.00 C ATOM 0 H LEU B 92 8.591 5.935 3.414 1.00 0.00 H new ATOM 0 HA LEU B 92 10.650 5.378 1.600 1.00 0.00 H new ATOM 0 HB2 LEU B 92 8.659 6.680 1.056 1.00 0.00 H new ATOM 0 HB3 LEU B 92 9.091 7.909 2.229 1.00 0.00 H new ATOM 0 HG LEU B 92 11.083 8.497 0.888 1.00 0.00 H new ATOM 0 HD11 LEU B 92 11.334 7.598 -1.387 1.00 0.00 H new ATOM 0 HD12 LEU B 92 11.503 6.328 -0.151 1.00 0.00 H new ATOM 0 HD13 LEU B 92 9.994 6.467 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU B 92 9.866 9.541 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 92 8.470 8.486 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU B 92 8.974 9.694 0.547 1.00 0.00 H new ATOM 2136 N ARG B 93 11.396 7.624 3.906 1.00 0.00 N ATOM 2137 CA ARG B 93 12.507 8.303 4.559 1.00 0.00 C ATOM 2138 C ARG B 93 13.502 7.287 5.108 1.00 0.00 C ATOM 2139 O ARG B 93 14.709 7.533 5.128 1.00 0.00 O ATOM 2140 CB ARG B 93 12.005 9.207 5.686 1.00 0.00 C ATOM 2141 CG ARG B 93 11.002 10.255 5.228 1.00 0.00 C ATOM 2142 CD ARG B 93 10.541 11.130 6.383 1.00 0.00 C ATOM 2143 NE ARG B 93 10.113 10.334 7.534 1.00 0.00 N ATOM 2144 CZ ARG B 93 9.092 10.646 8.333 1.00 0.00 C ATOM 2145 NH1 ARG B 93 8.361 11.731 8.104 1.00 0.00 N ATOM 2146 NH2 ARG B 93 8.804 9.864 9.363 1.00 0.00 N ATOM 0 H ARG B 93 10.484 7.809 4.323 1.00 0.00 H new ATOM 0 HA ARG B 93 13.009 8.923 3.816 1.00 0.00 H new ATOM 0 HB2 ARG B 93 11.545 8.590 6.458 1.00 0.00 H new ATOM 0 HB3 ARG B 93 12.857 9.708 6.145 1.00 0.00 H new ATOM 0 HG2 ARG B 93 11.453 10.878 4.456 1.00 0.00 H new ATOM 0 HG3 ARG B 93 10.140 9.763 4.777 1.00 0.00 H new ATOM 0 HD2 ARG B 93 11.352 11.793 6.682 1.00 0.00 H new ATOM 0 HD3 ARG B 93 9.717 11.763 6.053 1.00 0.00 H new ATOM 0 HE ARG B 93 10.632 9.480 7.740 1.00 0.00 H new ATOM 0 HH11 ARG B 93 8.578 12.334 7.311 1.00 0.00 H new ATOM 0 HH12 ARG B 93 7.582 11.961 8.721 1.00 0.00 H new ATOM 0 HH21 ARG B 93 9.362 9.029 9.541 1.00 0.00 H new ATOM 0 HH22 ARG B 93 8.024 10.097 9.978 1.00 0.00 H new ATOM 2160 N ILE B 94 12.998 6.134 5.534 1.00 0.00 N ATOM 2161 CA ILE B 94 13.864 5.088 6.046 1.00 0.00 C ATOM 2162 C ILE B 94 14.654 4.437 4.910 1.00 0.00 C ATOM 2163 O ILE B 94 15.789 4.026 5.114 1.00 0.00 O ATOM 2164 CB ILE B 94 13.090 4.009 6.826 1.00 0.00 C ATOM 2165 CG1 ILE B 94 12.134 4.657 7.828 1.00 0.00 C ATOM 2166 CG2 ILE B 94 14.071 3.097 7.556 1.00 0.00 C ATOM 2167 CD1 ILE B 94 11.245 3.668 8.548 1.00 0.00 C ATOM 0 H ILE B 94 12.004 5.905 5.534 1.00 0.00 H new ATOM 0 HA ILE B 94 14.552 5.567 6.742 1.00 0.00 H new ATOM 0 HB ILE B 94 12.505 3.418 6.121 1.00 0.00 H new ATOM 0 HG12 ILE B 94 12.715 5.212 8.564 1.00 0.00 H new ATOM 0 HG13 ILE B 94 11.508 5.380 7.304 1.00 0.00 H new ATOM 0 HG21 ILE B 94 13.519 2.335 8.106 1.00 0.00 H new ATOM 0 HG22 ILE B 94 14.729 2.616 6.832 1.00 0.00 H new ATOM 0 HG23 ILE B 94 14.667 3.687 8.252 1.00 0.00 H new ATOM 0 HD11 ILE B 94 10.595 4.201 9.242 1.00 0.00 H new ATOM 0 HD12 ILE B 94 10.637 3.130 7.821 1.00 0.00 H new ATOM 0 HD13 ILE B 94 11.862 2.959 9.101 1.00 0.00 H new ATOM 2179 N ILE B 95 14.063 4.356 3.712 1.00 0.00 N ATOM 2180 CA ILE B 95 14.798 3.883 2.533 1.00 0.00 C ATOM 2181 C ILE B 95 16.036 4.747 2.334 1.00 0.00 C ATOM 2182 O ILE B 95 17.138 4.248 2.096 1.00 0.00 O ATOM 2183 CB ILE B 95 13.955 3.927 1.237 1.00 0.00 C ATOM 2184 CG1 ILE B 95 12.662 3.129 1.396 1.00 0.00 C ATOM 2185 CG2 ILE B 95 14.767 3.359 0.083 1.00 0.00 C ATOM 2186 CD1 ILE B 95 12.877 1.635 1.370 1.00 0.00 C ATOM 0 H ILE B 95 13.091 4.608 3.534 1.00 0.00 H new ATOM 0 HA ILE B 95 15.062 2.842 2.720 1.00 0.00 H new ATOM 0 HB ILE B 95 13.694 4.965 1.031 1.00 0.00 H new ATOM 0 HG12 ILE B 95 12.186 3.405 2.337 1.00 0.00 H new ATOM 0 HG13 ILE B 95 11.973 3.404 0.598 1.00 0.00 H new ATOM 0 HG21 ILE B 95 14.173 3.390 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE B 95 15.671 3.952 -0.052 1.00 0.00 H new ATOM 0 HG23 ILE B 95 15.040 2.327 0.303 1.00 0.00 H new ATOM 0 HD11 ILE B 95 11.920 1.128 1.488 1.00 0.00 H new ATOM 0 HD12 ILE B 95 13.325 1.348 0.419 1.00 0.00 H new ATOM 0 HD13 ILE B 95 13.542 1.349 2.185 1.00 0.00 H new ATOM 2198 N ASN B 96 15.838 6.055 2.460 1.00 0.00 N ATOM 2199 CA ASN B 96 16.936 7.013 2.416 1.00 0.00 C ATOM 2200 C ASN B 96 17.968 6.680 3.491 1.00 0.00 C ATOM 2201 O ASN B 96 19.179 6.746 3.256 1.00 0.00 O ATOM 2202 CB ASN B 96 16.414 8.442 2.631 1.00 0.00 C ATOM 2203 CG ASN B 96 15.586 8.963 1.469 1.00 0.00 C ATOM 2204 OD1 ASN B 96 16.112 9.590 0.554 1.00 0.00 O ATOM 2205 ND2 ASN B 96 14.287 8.712 1.491 1.00 0.00 N ATOM 0 H ASN B 96 14.920 6.478 2.594 1.00 0.00 H new ATOM 0 HA ASN B 96 17.405 6.951 1.434 1.00 0.00 H new ATOM 0 HB2 ASN B 96 15.810 8.468 3.538 1.00 0.00 H new ATOM 0 HB3 ASN B 96 17.260 9.110 2.793 1.00 0.00 H new ATOM 0 HD21 ASN B 96 13.691 9.043 0.732 1.00 0.00 H new ATOM 0 HD22 ASN B 96 13.882 8.188 2.267 1.00 0.00 H new ATOM 2212 N ALA B 97 17.472 6.292 4.661 1.00 0.00 N ATOM 2213 CA ALA B 97 18.318 5.987 5.809 1.00 0.00 C ATOM 2214 C ALA B 97 18.960 4.602 5.712 1.00 0.00 C ATOM 2215 O ALA B 97 19.809 4.253 6.530 1.00 0.00 O ATOM 2216 CB ALA B 97 17.508 6.096 7.091 1.00 0.00 C ATOM 0 H ALA B 97 16.474 6.180 4.840 1.00 0.00 H new ATOM 0 HA ALA B 97 19.128 6.717 5.818 1.00 0.00 H new ATOM 0 HB1 ALA B 97 18.146 5.867 7.945 1.00 0.00 H new ATOM 0 HB2 ALA B 97 17.119 7.109 7.190 1.00 0.00 H new ATOM 0 HB3 ALA B 97 16.678 5.390 7.058 1.00 0.00 H new ATOM 2222 N ARG B 98 18.557 3.807 4.729 1.00 0.00 N ATOM 2223 CA ARG B 98 19.139 2.480 4.553 1.00 0.00 C ATOM 2224 C ARG B 98 20.462 2.579 3.807 1.00 0.00 C ATOM 2225 O ARG B 98 21.214 1.610 3.723 1.00 0.00 O ATOM 2226 CB ARG B 98 18.188 1.540 3.800 1.00 0.00 C ATOM 2227 CG ARG B 98 16.842 1.330 4.483 1.00 0.00 C ATOM 2228 CD ARG B 98 16.991 0.835 5.916 1.00 0.00 C ATOM 2229 NE ARG B 98 17.590 -0.498 5.987 1.00 0.00 N ATOM 2230 CZ ARG B 98 18.044 -1.051 7.112 1.00 0.00 C ATOM 2231 NH1 ARG B 98 17.976 -0.390 8.261 1.00 0.00 N ATOM 2232 NH2 ARG B 98 18.560 -2.273 7.087 1.00 0.00 N ATOM 0 H ARG B 98 17.838 4.052 4.048 1.00 0.00 H new ATOM 0 HA ARG B 98 19.311 2.063 5.545 1.00 0.00 H new ATOM 0 HB2 ARG B 98 18.017 1.940 2.801 1.00 0.00 H new ATOM 0 HB3 ARG B 98 18.675 0.572 3.677 1.00 0.00 H new ATOM 0 HG2 ARG B 98 16.286 2.268 4.481 1.00 0.00 H new ATOM 0 HG3 ARG B 98 16.256 0.610 3.912 1.00 0.00 H new ATOM 0 HD2 ARG B 98 17.607 1.537 6.478 1.00 0.00 H new ATOM 0 HD3 ARG B 98 16.012 0.816 6.395 1.00 0.00 H new ATOM 0 HE ARG B 98 17.665 -1.037 5.124 1.00 0.00 H new ATOM 0 HH11 ARG B 98 17.574 0.547 8.287 1.00 0.00 H new ATOM 0 HH12 ARG B 98 18.325 -0.819 9.118 1.00 0.00 H new ATOM 0 HH21 ARG B 98 18.609 -2.788 6.208 1.00 0.00 H new ATOM 0 HH22 ARG B 98 18.908 -2.697 7.947 1.00 0.00 H new