USER MOD reduce.3.24.130724 H: found=0, std=0, add=1016, rem=0, adj=24 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 -136:sc= 0 (180deg=-0.695) USER MOD Single : A 57 THR OG1 : rot -42:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 166:sc= -0.0188 (180deg=-0.216) USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0227) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.0983 (180deg=-0.471) USER MOD Single : A 82 LYS NZ :NH3+ -117:sc= -0.21 (180deg=-1.76) USER MOD Single : A 83 LYS NZ :NH3+ 173:sc= -0.0025 (180deg=-0.0365) USER MOD Single : A 85 LYS NZ :NH3+ -144:sc=-0.00751 (180deg=-1.51!) USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= -1.05! (180deg=-3.44!) USER MOD Single : A 91 MET CE :methyl -172:sc= -0.544 (180deg=-0.603) USER MOD Single : A 96 ASN : amide:sc= -0.254 K(o=-0.25,f=-2.8!) USER MOD Single : B 46 MET CE :methyl -135:sc= 0 (180deg=-0.703) USER MOD Single : B 57 THR OG1 : rot -45:sc= 1.22 USER MOD Single : B 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 71 SER OG : rot 180:sc= 0 USER MOD Single : B 74 LYS NZ :NH3+ 167:sc= -0.0171 (180deg=-0.201) USER MOD Single : B 75 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0255) USER MOD Single : B 78 MET CE :methyl 162:sc= -0.0686 (180deg=-0.496) USER MOD Single : B 82 LYS NZ :NH3+ -115:sc= -0.225 (180deg=-1.78) USER MOD Single : B 83 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0388) USER MOD Single : B 85 LYS NZ :NH3+ -144:sc= -0.0108 (180deg=-1.54!) USER MOD Single : B 86 LYS NZ :NH3+ -144:sc= -1.19! (180deg=-3.55!) USER MOD Single : B 91 MET CE :methyl -173:sc= -0.534 (180deg=-0.62) USER MOD Single : B 96 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 100 N GLY A 42 -8.981 -9.720 5.764 1.00 0.00 N ATOM 101 CA GLY A 42 -8.576 -8.681 6.683 1.00 0.00 C ATOM 102 C GLY A 42 -9.675 -7.664 6.893 1.00 0.00 C ATOM 103 O GLY A 42 -10.565 -7.535 6.046 1.00 0.00 O ATOM 0 HA2 GLY A 42 -8.304 -9.127 7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.686 -8.182 6.300 1.00 0.00 H new ATOM 107 N PRO A 43 -9.661 -6.944 8.023 1.00 0.00 N ATOM 108 CA PRO A 43 -10.634 -5.884 8.295 1.00 0.00 C ATOM 109 C PRO A 43 -10.436 -4.683 7.371 1.00 0.00 C ATOM 110 O PRO A 43 -9.491 -4.653 6.586 1.00 0.00 O ATOM 111 CB PRO A 43 -10.359 -5.511 9.753 1.00 0.00 C ATOM 112 CG PRO A 43 -8.939 -5.896 9.980 1.00 0.00 C ATOM 113 CD PRO A 43 -8.704 -7.115 9.132 1.00 0.00 C ATOM 0 HA PRO A 43 -11.661 -6.207 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.513 -4.446 9.925 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.027 -6.043 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.265 -5.087 9.698 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.756 -6.111 11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.676 -7.164 8.773 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.891 -8.034 9.687 1.00 0.00 H new ATOM 121 N ILE A 44 -11.315 -3.691 7.492 1.00 0.00 N ATOM 122 CA ILE A 44 -11.371 -2.557 6.559 1.00 0.00 C ATOM 123 C ILE A 44 -10.000 -1.923 6.271 1.00 0.00 C ATOM 124 O ILE A 44 -9.671 -1.649 5.113 1.00 0.00 O ATOM 125 CB ILE A 44 -12.350 -1.471 7.055 1.00 0.00 C ATOM 126 CG1 ILE A 44 -12.041 -1.074 8.502 1.00 0.00 C ATOM 127 CG2 ILE A 44 -13.787 -1.961 6.929 1.00 0.00 C ATOM 128 CD1 ILE A 44 -12.949 0.009 9.042 1.00 0.00 C ATOM 0 H ILE A 44 -12.010 -3.646 8.237 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.732 -2.977 5.620 1.00 0.00 H new ATOM 0 HB ILE A 44 -12.226 -0.586 6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -12.124 -1.956 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.007 -0.733 8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -14.468 -1.186 7.282 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -14.004 -2.187 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -13.919 -2.861 7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.671 0.238 10.071 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.849 0.906 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.983 -0.335 9.014 1.00 0.00 H new ATOM 140 N ARG A 45 -9.194 -1.705 7.305 1.00 0.00 N ATOM 141 CA ARG A 45 -7.886 -1.081 7.120 1.00 0.00 C ATOM 142 C ARG A 45 -6.956 -1.997 6.339 1.00 0.00 C ATOM 143 O ARG A 45 -6.232 -1.555 5.444 1.00 0.00 O ATOM 144 CB ARG A 45 -7.267 -0.709 8.466 1.00 0.00 C ATOM 145 CG ARG A 45 -8.053 0.364 9.194 1.00 0.00 C ATOM 146 CD ARG A 45 -7.392 0.772 10.494 1.00 0.00 C ATOM 147 NE ARG A 45 -8.094 1.894 11.113 1.00 0.00 N ATOM 148 CZ ARG A 45 -7.785 2.420 12.294 1.00 0.00 C ATOM 149 NH1 ARG A 45 -6.759 1.947 12.996 1.00 0.00 N ATOM 150 NH2 ARG A 45 -8.501 3.433 12.763 1.00 0.00 N ATOM 0 H ARG A 45 -9.419 -1.947 8.270 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.027 -0.166 6.544 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.208 -1.599 9.093 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.246 -0.362 8.308 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.155 1.238 8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.060 -0.001 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.378 -0.075 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.354 1.047 10.307 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.877 2.303 10.603 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.203 1.175 12.629 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.529 2.356 13.901 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.281 3.802 12.219 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.272 3.844 13.668 1.00 0.00 H new ATOM 164 N MET A 46 -6.991 -3.276 6.669 1.00 0.00 N ATOM 165 CA MET A 46 -6.204 -4.262 5.947 1.00 0.00 C ATOM 166 C MET A 46 -6.724 -4.433 4.525 1.00 0.00 C ATOM 167 O MET A 46 -5.965 -4.782 3.630 1.00 0.00 O ATOM 168 CB MET A 46 -6.195 -5.603 6.678 1.00 0.00 C ATOM 169 CG MET A 46 -5.237 -5.643 7.858 1.00 0.00 C ATOM 170 SD MET A 46 -5.270 -7.223 8.726 1.00 0.00 S ATOM 171 CE MET A 46 -4.171 -6.872 10.095 1.00 0.00 C ATOM 0 H MET A 46 -7.554 -3.656 7.430 1.00 0.00 H new ATOM 0 HA MET A 46 -5.178 -3.897 5.898 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.203 -5.823 7.031 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.925 -6.390 5.974 1.00 0.00 H new ATOM 0 HG2 MET A 46 -4.224 -5.448 7.506 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.492 -4.845 8.555 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.492 -7.712 10.241 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.595 -5.973 9.878 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.757 -6.718 11.001 1.00 0.00 H new ATOM 181 N VAL A 47 -8.014 -4.174 4.318 1.00 0.00 N ATOM 182 CA VAL A 47 -8.597 -4.219 2.979 1.00 0.00 C ATOM 183 C VAL A 47 -7.894 -3.225 2.068 1.00 0.00 C ATOM 184 O VAL A 47 -7.462 -3.577 0.975 1.00 0.00 O ATOM 185 CB VAL A 47 -10.113 -3.919 2.989 1.00 0.00 C ATOM 186 CG1 VAL A 47 -10.670 -3.860 1.572 1.00 0.00 C ATOM 187 CG2 VAL A 47 -10.855 -4.966 3.799 1.00 0.00 C ATOM 0 H VAL A 47 -8.673 -3.932 5.058 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.459 -5.234 2.605 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.259 -2.944 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.738 -3.647 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.163 -3.073 1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.508 -4.818 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -11.921 -4.740 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.691 -5.950 3.359 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.486 -4.961 4.825 1.00 0.00 H new ATOM 197 N LEU A 48 -7.762 -1.988 2.537 1.00 0.00 N ATOM 198 CA LEU A 48 -7.066 -0.957 1.771 1.00 0.00 C ATOM 199 C LEU A 48 -5.592 -1.312 1.587 1.00 0.00 C ATOM 200 O LEU A 48 -4.988 -0.982 0.565 1.00 0.00 O ATOM 201 CB LEU A 48 -7.203 0.417 2.438 1.00 0.00 C ATOM 202 CG LEU A 48 -8.468 1.204 2.072 1.00 0.00 C ATOM 203 CD1 LEU A 48 -9.721 0.471 2.520 1.00 0.00 C ATOM 204 CD2 LEU A 48 -8.423 2.596 2.681 1.00 0.00 C ATOM 0 H LEU A 48 -8.125 -1.675 3.438 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.534 -0.908 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.181 0.281 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.333 1.018 2.174 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.502 1.297 0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.601 1.054 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.766 -0.504 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.697 0.336 3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.328 3.141 2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.357 2.516 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.552 3.131 2.303 1.00 0.00 H new ATOM 216 N ALA A 49 -5.019 -1.990 2.574 1.00 0.00 N ATOM 217 CA ALA A 49 -3.635 -2.443 2.484 1.00 0.00 C ATOM 218 C ALA A 49 -3.478 -3.527 1.417 1.00 0.00 C ATOM 219 O ALA A 49 -2.590 -3.450 0.567 1.00 0.00 O ATOM 220 CB ALA A 49 -3.154 -2.950 3.832 1.00 0.00 C ATOM 0 H ALA A 49 -5.489 -2.238 3.444 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.020 -1.592 2.192 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.120 -3.284 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.217 -2.147 4.566 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.779 -3.784 4.152 1.00 0.00 H new ATOM 226 N ILE A 50 -4.350 -4.532 1.464 1.00 0.00 N ATOM 227 CA ILE A 50 -4.339 -5.607 0.474 1.00 0.00 C ATOM 228 C ILE A 50 -4.709 -5.051 -0.898 1.00 0.00 C ATOM 229 O ILE A 50 -4.244 -5.535 -1.932 1.00 0.00 O ATOM 230 CB ILE A 50 -5.318 -6.746 0.852 1.00 0.00 C ATOM 231 CG1 ILE A 50 -5.028 -7.256 2.267 1.00 0.00 C ATOM 232 CG2 ILE A 50 -5.220 -7.890 -0.151 1.00 0.00 C ATOM 233 CD1 ILE A 50 -5.990 -8.323 2.744 1.00 0.00 C ATOM 0 H ILE A 50 -5.073 -4.624 2.177 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.332 -6.023 0.448 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.332 -6.348 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.014 -7.655 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.061 -6.415 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.915 -8.681 0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.471 -7.524 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.204 -8.284 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.719 -8.632 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.004 -7.923 2.747 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.941 -9.182 2.075 1.00 0.00 H new ATOM 245 N LEU A 51 -5.549 -4.025 -0.890 1.00 0.00 N ATOM 246 CA LEU A 51 -5.918 -3.314 -2.101 1.00 0.00 C ATOM 247 C LEU A 51 -4.679 -2.728 -2.767 1.00 0.00 C ATOM 248 O LEU A 51 -4.427 -2.977 -3.940 1.00 0.00 O ATOM 249 CB LEU A 51 -6.900 -2.193 -1.770 1.00 0.00 C ATOM 250 CG LEU A 51 -7.359 -1.355 -2.958 1.00 0.00 C ATOM 251 CD1 LEU A 51 -8.433 -2.086 -3.754 1.00 0.00 C ATOM 252 CD2 LEU A 51 -7.856 -0.004 -2.480 1.00 0.00 C ATOM 0 H LEU A 51 -5.992 -3.665 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.392 -4.017 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.778 -2.630 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.437 -1.532 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.510 -1.194 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.745 -1.469 -4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.032 -3.030 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.291 -2.283 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.182 0.587 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.693 -0.145 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.051 0.518 -1.964 1.00 0.00 H new ATOM 264 N ALA A 52 -3.906 -1.958 -2.001 1.00 0.00 N ATOM 265 CA ALA A 52 -2.674 -1.356 -2.507 1.00 0.00 C ATOM 266 C ALA A 52 -1.707 -2.432 -2.977 1.00 0.00 C ATOM 267 O ALA A 52 -1.013 -2.267 -3.983 1.00 0.00 O ATOM 268 CB ALA A 52 -2.018 -0.497 -1.443 1.00 0.00 C ATOM 0 H ALA A 52 -4.112 -1.737 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.933 -0.722 -3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.103 -0.059 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.701 0.299 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.778 -1.112 -0.576 1.00 0.00 H new ATOM 274 N PHE A 53 -1.674 -3.532 -2.239 1.00 0.00 N ATOM 275 CA PHE A 53 -0.890 -4.693 -2.621 1.00 0.00 C ATOM 276 C PHE A 53 -1.291 -5.136 -4.023 1.00 0.00 C ATOM 277 O PHE A 53 -0.490 -5.094 -4.948 1.00 0.00 O ATOM 278 CB PHE A 53 -1.113 -5.823 -1.607 1.00 0.00 C ATOM 279 CG PHE A 53 -0.383 -7.104 -1.909 1.00 0.00 C ATOM 280 CD1 PHE A 53 0.943 -7.268 -1.545 1.00 0.00 C ATOM 281 CD2 PHE A 53 -1.033 -8.154 -2.538 1.00 0.00 C ATOM 282 CE1 PHE A 53 1.606 -8.453 -1.804 1.00 0.00 C ATOM 283 CE2 PHE A 53 -0.374 -9.339 -2.803 1.00 0.00 C ATOM 284 CZ PHE A 53 0.947 -9.488 -2.435 1.00 0.00 C ATOM 0 H PHE A 53 -2.187 -3.643 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 53 0.170 -4.439 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.807 -5.472 -0.622 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.181 -6.036 -1.552 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.465 -6.461 -1.053 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.068 -8.044 -2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.639 -8.569 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.892 -10.147 -3.297 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.465 -10.413 -2.640 1.00 0.00 H new ATOM 294 N LEU A 54 -2.554 -5.494 -4.184 1.00 0.00 N ATOM 295 CA LEU A 54 -3.078 -5.971 -5.465 1.00 0.00 C ATOM 296 C LEU A 54 -3.209 -4.841 -6.478 1.00 0.00 C ATOM 297 O LEU A 54 -3.629 -5.058 -7.615 1.00 0.00 O ATOM 298 CB LEU A 54 -4.435 -6.648 -5.261 1.00 0.00 C ATOM 299 CG LEU A 54 -4.432 -7.840 -4.301 1.00 0.00 C ATOM 300 CD1 LEU A 54 -5.854 -8.283 -3.997 1.00 0.00 C ATOM 301 CD2 LEU A 54 -3.631 -8.995 -4.886 1.00 0.00 C ATOM 0 H LEU A 54 -3.248 -5.465 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.366 -6.695 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.141 -5.905 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.805 -6.983 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.960 -7.529 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.832 -9.131 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.401 -7.460 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.350 -8.576 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.640 -9.834 -4.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.076 -9.304 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.603 -8.675 -5.056 1.00 0.00 H new ATOM 313 N ARG A 55 -2.854 -3.640 -6.069 1.00 0.00 N ATOM 314 CA ARG A 55 -2.872 -2.507 -6.937 1.00 0.00 C ATOM 315 C ARG A 55 -1.520 -2.356 -7.632 1.00 0.00 C ATOM 316 O ARG A 55 -1.445 -1.963 -8.797 1.00 0.00 O ATOM 317 CB ARG A 55 -3.203 -1.273 -6.109 1.00 0.00 C ATOM 318 CG ARG A 55 -3.061 0.000 -6.879 1.00 0.00 C ATOM 319 CD ARG A 55 -4.002 0.027 -8.068 1.00 0.00 C ATOM 320 NE ARG A 55 -3.935 1.297 -8.785 1.00 0.00 N ATOM 321 CZ ARG A 55 -4.829 1.702 -9.683 1.00 0.00 C ATOM 322 NH1 ARG A 55 -5.871 0.940 -9.993 1.00 0.00 N ATOM 323 NH2 ARG A 55 -4.678 2.883 -10.264 1.00 0.00 N ATOM 0 H ARG A 55 -2.545 -3.434 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.628 -2.635 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -4.224 -1.355 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.548 -1.240 -5.238 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.270 0.848 -6.227 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.032 0.108 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.752 -0.788 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -5.023 -0.144 -7.727 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.149 1.916 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.992 0.034 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -6.550 1.261 -10.683 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.882 3.473 -10.022 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.358 3.203 -10.954 1.00 0.00 H new ATOM 337 N PHE A 56 -0.455 -2.686 -6.916 1.00 0.00 N ATOM 338 CA PHE A 56 0.893 -2.516 -7.441 1.00 0.00 C ATOM 339 C PHE A 56 1.582 -3.853 -7.726 1.00 0.00 C ATOM 340 O PHE A 56 2.505 -3.914 -8.539 1.00 0.00 O ATOM 341 CB PHE A 56 1.728 -1.673 -6.473 1.00 0.00 C ATOM 342 CG PHE A 56 1.421 -0.203 -6.546 1.00 0.00 C ATOM 343 CD1 PHE A 56 2.140 0.624 -7.394 1.00 0.00 C ATOM 344 CD2 PHE A 56 0.413 0.351 -5.773 1.00 0.00 C ATOM 345 CE1 PHE A 56 1.860 1.975 -7.470 1.00 0.00 C ATOM 346 CE2 PHE A 56 0.128 1.701 -5.845 1.00 0.00 C ATOM 347 CZ PHE A 56 0.853 2.514 -6.695 1.00 0.00 C ATOM 0 H PHE A 56 -0.497 -3.072 -5.973 1.00 0.00 H new ATOM 0 HA PHE A 56 0.810 -1.996 -8.395 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.555 -2.023 -5.455 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.786 -1.827 -6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.929 0.208 -8.003 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.156 -0.280 -5.107 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.428 2.608 -8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.660 2.120 -5.238 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.632 3.570 -6.753 1.00 0.00 H new ATOM 357 N THR A 57 1.137 -4.921 -7.071 1.00 0.00 N ATOM 358 CA THR A 57 1.733 -6.242 -7.272 1.00 0.00 C ATOM 359 C THR A 57 0.931 -7.046 -8.288 1.00 0.00 C ATOM 360 O THR A 57 1.328 -8.137 -8.700 1.00 0.00 O ATOM 361 CB THR A 57 1.809 -7.045 -5.954 1.00 0.00 C ATOM 362 OG1 THR A 57 0.493 -7.402 -5.519 1.00 0.00 O ATOM 363 CG2 THR A 57 2.486 -6.237 -4.859 1.00 0.00 C ATOM 0 H THR A 57 0.370 -4.901 -6.399 1.00 0.00 H new ATOM 0 HA THR A 57 2.745 -6.077 -7.642 1.00 0.00 H new ATOM 0 HB THR A 57 2.395 -7.944 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.111 -6.641 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.526 -6.827 -3.943 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.499 -5.981 -5.169 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.920 -5.323 -4.678 1.00 0.00 H new ATOM 371 N ALA A 58 -0.190 -6.483 -8.702 1.00 0.00 N ATOM 372 CA ALA A 58 -1.115 -7.176 -9.582 1.00 0.00 C ATOM 373 C ALA A 58 -1.691 -6.215 -10.610 1.00 0.00 C ATOM 374 O ALA A 58 -1.548 -4.996 -10.484 1.00 0.00 O ATOM 375 CB ALA A 58 -2.229 -7.822 -8.770 1.00 0.00 C ATOM 0 H ALA A 58 -0.483 -5.542 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.573 -7.959 -10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.916 -8.338 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.800 -8.538 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.770 -7.053 -8.218 1.00 0.00 H new ATOM 381 N ILE A 59 -2.348 -6.768 -11.620 1.00 0.00 N ATOM 382 CA ILE A 59 -2.886 -5.972 -12.715 1.00 0.00 C ATOM 383 C ILE A 59 -4.308 -5.547 -12.404 1.00 0.00 C ATOM 384 O ILE A 59 -4.799 -4.522 -12.876 1.00 0.00 O ATOM 385 CB ILE A 59 -2.852 -6.739 -14.066 1.00 0.00 C ATOM 386 CG1 ILE A 59 -1.421 -7.150 -14.440 1.00 0.00 C ATOM 387 CG2 ILE A 59 -3.459 -5.900 -15.182 1.00 0.00 C ATOM 388 CD1 ILE A 59 -0.922 -8.384 -13.716 1.00 0.00 C ATOM 0 H ILE A 59 -2.522 -7.770 -11.704 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.252 -5.091 -12.816 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.448 -7.643 -13.941 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.375 -7.329 -15.514 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.748 -6.319 -14.226 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.424 -6.458 -16.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.495 -5.665 -14.938 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.893 -4.975 -15.290 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.096 -8.607 -14.036 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.933 -8.204 -12.641 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.569 -9.229 -13.949 1.00 0.00 H new ATOM 400 N LYS A 60 -4.939 -6.333 -11.574 1.00 0.00 N ATOM 401 CA LYS A 60 -6.311 -6.086 -11.166 1.00 0.00 C ATOM 402 C LYS A 60 -6.542 -6.576 -9.741 1.00 0.00 C ATOM 403 O LYS A 60 -6.285 -7.741 -9.432 1.00 0.00 O ATOM 404 CB LYS A 60 -7.288 -6.779 -12.117 1.00 0.00 C ATOM 405 CG LYS A 60 -8.746 -6.519 -11.777 1.00 0.00 C ATOM 406 CD LYS A 60 -9.680 -7.237 -12.730 1.00 0.00 C ATOM 407 CE LYS A 60 -11.133 -6.948 -12.400 1.00 0.00 C ATOM 408 NZ LYS A 60 -12.059 -7.582 -13.371 1.00 0.00 N ATOM 0 H LYS A 60 -4.523 -7.166 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.487 -5.011 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.094 -6.441 -13.135 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.104 -7.853 -12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.946 -6.846 -10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.943 -5.447 -11.813 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.468 -6.926 -13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.500 -8.311 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.356 -7.310 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.296 -5.870 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.041 -7.360 -13.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.864 -7.218 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.922 -8.613 -13.359 1.00 0.00 H new ATOM 422 N PRO A 61 -7.008 -5.686 -8.852 1.00 0.00 N ATOM 423 CA PRO A 61 -7.360 -6.051 -7.478 1.00 0.00 C ATOM 424 C PRO A 61 -8.500 -7.068 -7.432 1.00 0.00 C ATOM 425 O PRO A 61 -9.456 -6.983 -8.206 1.00 0.00 O ATOM 426 CB PRO A 61 -7.799 -4.725 -6.845 1.00 0.00 C ATOM 427 CG PRO A 61 -7.237 -3.665 -7.728 1.00 0.00 C ATOM 428 CD PRO A 61 -7.217 -4.253 -9.109 1.00 0.00 C ATOM 0 HA PRO A 61 -6.527 -6.523 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.885 -4.656 -6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.421 -4.631 -5.827 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.849 -2.764 -7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.234 -3.381 -7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.151 -4.070 -9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.417 -3.830 -9.717 1.00 0.00 H new ATOM 436 N SER A 62 -8.378 -8.030 -6.526 1.00 0.00 N ATOM 437 CA SER A 62 -9.368 -9.087 -6.367 1.00 0.00 C ATOM 438 C SER A 62 -10.724 -8.510 -5.973 1.00 0.00 C ATOM 439 O SER A 62 -10.814 -7.621 -5.121 1.00 0.00 O ATOM 440 CB SER A 62 -8.888 -10.083 -5.308 1.00 0.00 C ATOM 441 OG SER A 62 -9.814 -11.140 -5.122 1.00 0.00 O ATOM 0 H SER A 62 -7.591 -8.099 -5.881 1.00 0.00 H new ATOM 0 HA SER A 62 -9.486 -9.601 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.923 -10.493 -5.606 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.735 -9.563 -4.362 1.00 0.00 H new ATOM 0 HG SER A 62 -9.474 -11.757 -4.441 1.00 0.00 H new ATOM 447 N LEU A 63 -11.775 -9.045 -6.591 1.00 0.00 N ATOM 448 CA LEU A 63 -13.130 -8.544 -6.401 1.00 0.00 C ATOM 449 C LEU A 63 -13.613 -8.762 -4.974 1.00 0.00 C ATOM 450 O LEU A 63 -14.543 -8.098 -4.526 1.00 0.00 O ATOM 451 CB LEU A 63 -14.092 -9.209 -7.385 1.00 0.00 C ATOM 452 CG LEU A 63 -13.805 -8.941 -8.863 1.00 0.00 C ATOM 453 CD1 LEU A 63 -14.807 -9.677 -9.734 1.00 0.00 C ATOM 454 CD2 LEU A 63 -13.839 -7.448 -9.158 1.00 0.00 C ATOM 0 H LEU A 63 -11.710 -9.834 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.110 -7.471 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -14.070 -10.286 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -15.104 -8.872 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.805 -9.310 -9.092 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -14.592 -9.478 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.735 -10.748 -9.546 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.815 -9.334 -9.499 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -13.632 -7.281 -10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.825 -7.051 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -13.085 -6.941 -8.556 1.00 0.00 H new ATOM 466 N GLY A 64 -12.986 -9.696 -4.267 1.00 0.00 N ATOM 467 CA GLY A 64 -13.298 -9.888 -2.865 1.00 0.00 C ATOM 468 C GLY A 64 -12.956 -8.656 -2.057 1.00 0.00 C ATOM 469 O GLY A 64 -13.751 -8.187 -1.238 1.00 0.00 O ATOM 0 H GLY A 64 -12.270 -10.321 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.358 -10.117 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.744 -10.744 -2.480 1.00 0.00 H new ATOM 473 N LEU A 65 -11.776 -8.110 -2.317 1.00 0.00 N ATOM 474 CA LEU A 65 -11.335 -6.892 -1.663 1.00 0.00 C ATOM 475 C LEU A 65 -12.137 -5.703 -2.174 1.00 0.00 C ATOM 476 O LEU A 65 -12.361 -4.749 -1.447 1.00 0.00 O ATOM 477 CB LEU A 65 -9.835 -6.656 -1.890 1.00 0.00 C ATOM 478 CG LEU A 65 -8.880 -7.533 -1.063 1.00 0.00 C ATOM 479 CD1 LEU A 65 -9.138 -7.358 0.426 1.00 0.00 C ATOM 480 CD2 LEU A 65 -8.990 -9.000 -1.454 1.00 0.00 C ATOM 0 H LEU A 65 -11.105 -8.497 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.503 -7.001 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.619 -6.815 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.615 -5.611 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.863 -7.205 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.451 -7.988 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.984 -6.315 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.164 -7.646 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.301 -9.590 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.010 -9.346 -1.285 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.738 -9.115 -2.508 1.00 0.00 H new ATOM 492 N ILE A 66 -12.579 -5.783 -3.427 1.00 0.00 N ATOM 493 CA ILE A 66 -13.406 -4.736 -4.028 1.00 0.00 C ATOM 494 C ILE A 66 -14.802 -4.729 -3.402 1.00 0.00 C ATOM 495 O ILE A 66 -15.453 -3.684 -3.299 1.00 0.00 O ATOM 496 CB ILE A 66 -13.525 -4.932 -5.557 1.00 0.00 C ATOM 497 CG1 ILE A 66 -12.138 -4.896 -6.200 1.00 0.00 C ATOM 498 CG2 ILE A 66 -14.429 -3.873 -6.178 1.00 0.00 C ATOM 499 CD1 ILE A 66 -11.422 -3.570 -6.041 1.00 0.00 C ATOM 0 H ILE A 66 -12.378 -6.566 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 66 -12.921 -3.779 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 66 -13.976 -5.907 -5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.525 -5.684 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.235 -5.121 -7.262 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.494 -4.036 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -15.425 -3.942 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -14.015 -2.883 -5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -10.446 -3.623 -6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.013 -2.780 -6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.292 -3.352 -4.981 1.00 0.00 H new ATOM 511 N ASN A 67 -15.253 -5.902 -2.987 1.00 0.00 N ATOM 512 CA ASN A 67 -16.543 -6.042 -2.321 1.00 0.00 C ATOM 513 C ASN A 67 -16.488 -5.435 -0.922 1.00 0.00 C ATOM 514 O ASN A 67 -17.393 -4.711 -0.509 1.00 0.00 O ATOM 515 CB ASN A 67 -16.938 -7.521 -2.242 1.00 0.00 C ATOM 516 CG ASN A 67 -18.282 -7.745 -1.569 1.00 0.00 C ATOM 517 OD1 ASN A 67 -19.177 -6.901 -1.633 1.00 0.00 O ATOM 518 ND2 ASN A 67 -18.433 -8.891 -0.922 1.00 0.00 N ATOM 0 H ASN A 67 -14.743 -6.778 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 67 -17.295 -5.508 -2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.969 -7.937 -3.249 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.169 -8.067 -1.695 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -19.315 -9.100 -0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -17.668 -9.564 -0.892 1.00 0.00 H new ATOM 525 N ARG A 68 -15.400 -5.702 -0.210 1.00 0.00 N ATOM 526 CA ARG A 68 -15.246 -5.208 1.157 1.00 0.00 C ATOM 527 C ARG A 68 -14.651 -3.801 1.138 1.00 0.00 C ATOM 528 O ARG A 68 -14.564 -3.123 2.159 1.00 0.00 O ATOM 529 CB ARG A 68 -14.364 -6.163 1.963 1.00 0.00 C ATOM 530 CG ARG A 68 -14.419 -5.937 3.466 1.00 0.00 C ATOM 531 CD ARG A 68 -13.690 -7.041 4.209 1.00 0.00 C ATOM 532 NE ARG A 68 -14.277 -8.353 3.937 1.00 0.00 N ATOM 533 CZ ARG A 68 -13.588 -9.411 3.513 1.00 0.00 C ATOM 534 NH1 ARG A 68 -12.273 -9.334 3.345 1.00 0.00 N ATOM 535 NH2 ARG A 68 -14.219 -10.551 3.262 1.00 0.00 N ATOM 0 H ARG A 68 -14.614 -6.255 -0.552 1.00 0.00 H new ATOM 0 HA ARG A 68 -16.224 -5.161 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.666 -7.188 1.749 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.332 -6.058 1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.971 -4.973 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.458 -5.898 3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.640 -7.044 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.723 -6.842 5.280 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.280 -8.465 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.784 -8.461 3.541 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.752 -10.148 3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.228 -10.615 3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.695 -11.363 2.937 1.00 0.00 H new ATOM 549 N TRP A 69 -14.266 -3.383 -0.054 1.00 0.00 N ATOM 550 CA TRP A 69 -13.726 -2.055 -0.309 1.00 0.00 C ATOM 551 C TRP A 69 -14.749 -0.992 0.076 1.00 0.00 C ATOM 552 O TRP A 69 -14.427 -0.008 0.739 1.00 0.00 O ATOM 553 CB TRP A 69 -13.393 -1.979 -1.798 1.00 0.00 C ATOM 554 CG TRP A 69 -12.484 -0.871 -2.219 1.00 0.00 C ATOM 555 CD1 TRP A 69 -11.492 -0.286 -1.492 1.00 0.00 C ATOM 556 CD2 TRP A 69 -12.459 -0.254 -3.506 1.00 0.00 C ATOM 557 NE1 TRP A 69 -10.860 0.671 -2.252 1.00 0.00 N ATOM 558 CE2 TRP A 69 -11.434 0.704 -3.494 1.00 0.00 C ATOM 559 CE3 TRP A 69 -13.210 -0.424 -4.667 1.00 0.00 C ATOM 560 CZ2 TRP A 69 -11.142 1.492 -4.604 1.00 0.00 C ATOM 561 CZ3 TRP A 69 -12.920 0.356 -5.767 1.00 0.00 C ATOM 562 CH2 TRP A 69 -11.891 1.301 -5.730 1.00 0.00 C ATOM 0 H TRP A 69 -14.320 -3.966 -0.889 1.00 0.00 H new ATOM 0 HA TRP A 69 -12.830 -1.876 0.286 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -12.940 -2.925 -2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -14.327 -1.885 -2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -11.239 -0.536 -0.472 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.088 1.261 -1.940 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -14.005 -1.154 -4.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -10.352 2.228 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -13.497 0.235 -6.672 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -11.684 1.892 -6.610 1.00 0.00 H new ATOM 573 N GLY A 70 -15.994 -1.225 -0.320 1.00 0.00 N ATOM 574 CA GLY A 70 -17.064 -0.307 0.013 1.00 0.00 C ATOM 575 C GLY A 70 -17.581 -0.513 1.422 1.00 0.00 C ATOM 576 O GLY A 70 -18.334 0.311 1.939 1.00 0.00 O ATOM 0 H GLY A 70 -16.282 -2.036 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -16.707 0.717 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.883 -0.435 -0.695 1.00 0.00 H new ATOM 580 N SER A 71 -17.163 -1.606 2.050 1.00 0.00 N ATOM 581 CA SER A 71 -17.569 -1.907 3.416 1.00 0.00 C ATOM 582 C SER A 71 -16.924 -0.921 4.380 1.00 0.00 C ATOM 583 O SER A 71 -17.343 -0.790 5.532 1.00 0.00 O ATOM 584 CB SER A 71 -17.190 -3.344 3.787 1.00 0.00 C ATOM 585 OG SER A 71 -17.563 -3.652 5.120 1.00 0.00 O ATOM 0 H SER A 71 -16.542 -2.299 1.633 1.00 0.00 H new ATOM 0 HA SER A 71 -18.652 -1.811 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 71 -17.677 -4.038 3.102 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.115 -3.480 3.668 1.00 0.00 H new ATOM 0 HG SER A 71 -17.309 -4.576 5.326 1.00 0.00 H new ATOM 591 N VAL A 72 -15.892 -0.241 3.902 1.00 0.00 N ATOM 592 CA VAL A 72 -15.258 0.817 4.661 1.00 0.00 C ATOM 593 C VAL A 72 -16.161 2.047 4.645 1.00 0.00 C ATOM 594 O VAL A 72 -16.683 2.419 3.595 1.00 0.00 O ATOM 595 CB VAL A 72 -13.874 1.175 4.076 1.00 0.00 C ATOM 596 CG1 VAL A 72 -13.100 2.072 5.029 1.00 0.00 C ATOM 597 CG2 VAL A 72 -13.082 -0.085 3.752 1.00 0.00 C ATOM 0 H VAL A 72 -15.477 -0.408 2.985 1.00 0.00 H new ATOM 0 HA VAL A 72 -15.108 0.473 5.684 1.00 0.00 H new ATOM 0 HB VAL A 72 -14.030 1.724 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.129 2.311 4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -13.659 2.993 5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.957 1.556 5.979 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -12.111 0.191 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -12.939 -0.669 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -13.629 -0.681 3.021 1.00 0.00 H new ATOM 607 N GLY A 73 -16.336 2.679 5.801 1.00 0.00 N ATOM 608 CA GLY A 73 -17.287 3.779 5.928 1.00 0.00 C ATOM 609 C GLY A 73 -16.844 5.070 5.251 1.00 0.00 C ATOM 610 O GLY A 73 -17.361 6.136 5.573 1.00 0.00 O ATOM 0 H GLY A 73 -15.835 2.450 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.242 3.469 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.457 3.977 6.986 1.00 0.00 H new ATOM 614 N LYS A 74 -15.892 4.946 4.320 1.00 0.00 N ATOM 615 CA LYS A 74 -15.327 6.046 3.512 1.00 0.00 C ATOM 616 C LYS A 74 -14.631 7.135 4.346 1.00 0.00 C ATOM 617 O LYS A 74 -13.534 7.559 3.991 1.00 0.00 O ATOM 618 CB LYS A 74 -16.352 6.638 2.517 1.00 0.00 C ATOM 619 CG LYS A 74 -17.413 7.555 3.104 1.00 0.00 C ATOM 620 CD LYS A 74 -18.402 7.998 2.036 1.00 0.00 C ATOM 621 CE LYS A 74 -19.274 6.847 1.555 1.00 0.00 C ATOM 622 NZ LYS A 74 -20.171 6.342 2.627 1.00 0.00 N ATOM 0 H LYS A 74 -15.474 4.043 4.096 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.538 5.585 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -15.806 7.192 1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -16.855 5.813 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -17.943 7.038 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.938 8.429 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -19.035 8.791 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -17.858 8.419 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.873 7.176 0.706 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -18.639 6.035 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.903 5.733 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -19.616 5.793 3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.622 7.145 3.109 1.00 0.00 H new ATOM 636 N LYS A 75 -15.228 7.572 5.448 1.00 0.00 N ATOM 637 CA LYS A 75 -14.570 8.532 6.327 1.00 0.00 C ATOM 638 C LYS A 75 -13.368 7.871 6.993 1.00 0.00 C ATOM 639 O LYS A 75 -12.288 8.460 7.088 1.00 0.00 O ATOM 640 CB LYS A 75 -15.539 9.070 7.387 1.00 0.00 C ATOM 641 CG LYS A 75 -14.889 10.026 8.380 1.00 0.00 C ATOM 642 CD LYS A 75 -14.339 11.266 7.690 1.00 0.00 C ATOM 643 CE LYS A 75 -13.483 12.100 8.630 1.00 0.00 C ATOM 644 NZ LYS A 75 -14.246 12.584 9.811 1.00 0.00 N ATOM 0 H LYS A 75 -16.157 7.281 5.753 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.234 9.378 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.362 9.582 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.970 8.230 7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.620 10.322 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.082 9.513 8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.746 10.968 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.165 11.871 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.634 11.506 8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.078 12.954 8.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.645 13.216 10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.089 13.102 9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.539 11.772 10.392 1.00 0.00 H new ATOM 658 N GLU A 76 -13.563 6.634 7.437 1.00 0.00 N ATOM 659 CA GLU A 76 -12.475 5.837 7.981 1.00 0.00 C ATOM 660 C GLU A 76 -11.388 5.674 6.928 1.00 0.00 C ATOM 661 O GLU A 76 -10.204 5.770 7.231 1.00 0.00 O ATOM 662 CB GLU A 76 -12.987 4.463 8.428 1.00 0.00 C ATOM 663 CG GLU A 76 -11.936 3.592 9.108 1.00 0.00 C ATOM 664 CD GLU A 76 -11.485 4.140 10.449 1.00 0.00 C ATOM 665 OE1 GLU A 76 -10.262 4.285 10.660 1.00 0.00 O ATOM 666 OE2 GLU A 76 -12.353 4.425 11.300 1.00 0.00 O ATOM 0 H GLU A 76 -14.468 6.163 7.430 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.062 6.348 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -13.823 4.605 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.374 3.932 7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.340 2.589 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.071 3.498 8.451 1.00 0.00 H new ATOM 673 N ALA A 77 -11.806 5.467 5.678 1.00 0.00 N ATOM 674 CA ALA A 77 -10.872 5.300 4.576 1.00 0.00 C ATOM 675 C ALA A 77 -10.010 6.544 4.410 1.00 0.00 C ATOM 676 O ALA A 77 -8.813 6.443 4.166 1.00 0.00 O ATOM 677 CB ALA A 77 -11.618 4.990 3.287 1.00 0.00 C ATOM 0 H ALA A 77 -12.788 5.412 5.409 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.218 4.459 4.805 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.903 4.868 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.189 4.070 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.297 5.810 3.054 1.00 0.00 H new ATOM 683 N MET A 78 -10.625 7.713 4.565 1.00 0.00 N ATOM 684 CA MET A 78 -9.904 8.979 4.476 1.00 0.00 C ATOM 685 C MET A 78 -8.807 9.031 5.529 1.00 0.00 C ATOM 686 O MET A 78 -7.684 9.466 5.257 1.00 0.00 O ATOM 687 CB MET A 78 -10.858 10.163 4.663 1.00 0.00 C ATOM 688 CG MET A 78 -11.964 10.235 3.623 1.00 0.00 C ATOM 689 SD MET A 78 -13.099 11.608 3.904 1.00 0.00 S ATOM 690 CE MET A 78 -12.008 13.005 3.648 1.00 0.00 C ATOM 0 H MET A 78 -11.623 7.810 4.753 1.00 0.00 H new ATOM 0 HA MET A 78 -9.456 9.047 3.485 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.308 10.101 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.283 11.088 4.632 1.00 0.00 H new ATOM 0 HG2 MET A 78 -11.519 10.334 2.633 1.00 0.00 H new ATOM 0 HG3 MET A 78 -12.524 9.300 3.629 1.00 0.00 H new ATOM 0 HE1 MET A 78 -12.601 13.902 3.469 1.00 0.00 H new ATOM 0 HE2 MET A 78 -11.389 13.150 4.533 1.00 0.00 H new ATOM 0 HE3 MET A 78 -11.369 12.815 2.786 1.00 0.00 H new ATOM 700 N GLU A 79 -9.137 8.575 6.731 1.00 0.00 N ATOM 701 CA GLU A 79 -8.173 8.523 7.818 1.00 0.00 C ATOM 702 C GLU A 79 -7.088 7.491 7.529 1.00 0.00 C ATOM 703 O GLU A 79 -5.903 7.750 7.748 1.00 0.00 O ATOM 704 CB GLU A 79 -8.869 8.201 9.140 1.00 0.00 C ATOM 705 CG GLU A 79 -9.894 9.236 9.552 1.00 0.00 C ATOM 706 CD GLU A 79 -10.205 9.186 11.031 1.00 0.00 C ATOM 707 OE1 GLU A 79 -9.490 9.848 11.810 1.00 0.00 O ATOM 708 OE2 GLU A 79 -11.162 8.484 11.426 1.00 0.00 O ATOM 0 H GLU A 79 -10.067 8.236 6.976 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.704 9.504 7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.358 7.230 9.057 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -8.118 8.113 9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.526 10.229 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.812 9.079 8.985 1.00 0.00 H new ATOM 715 N ILE A 80 -7.500 6.331 7.029 1.00 0.00 N ATOM 716 CA ILE A 80 -6.568 5.266 6.670 1.00 0.00 C ATOM 717 C ILE A 80 -5.583 5.747 5.614 1.00 0.00 C ATOM 718 O ILE A 80 -4.380 5.537 5.734 1.00 0.00 O ATOM 719 CB ILE A 80 -7.306 4.020 6.132 1.00 0.00 C ATOM 720 CG1 ILE A 80 -8.293 3.492 7.173 1.00 0.00 C ATOM 721 CG2 ILE A 80 -6.310 2.932 5.747 1.00 0.00 C ATOM 722 CD1 ILE A 80 -9.220 2.422 6.638 1.00 0.00 C ATOM 0 H ILE A 80 -8.480 6.103 6.862 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.032 4.993 7.579 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.863 4.310 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.736 3.089 8.019 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -8.889 4.323 7.551 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.849 2.062 5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.641 3.308 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.727 2.646 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.893 2.094 7.431 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.804 2.827 5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.632 1.574 6.287 1.00 0.00 H new ATOM 734 N ILE A 81 -6.105 6.406 4.588 1.00 0.00 N ATOM 735 CA ILE A 81 -5.283 6.921 3.504 1.00 0.00 C ATOM 736 C ILE A 81 -4.287 7.961 4.015 1.00 0.00 C ATOM 737 O ILE A 81 -3.127 7.976 3.598 1.00 0.00 O ATOM 738 CB ILE A 81 -6.155 7.529 2.382 1.00 0.00 C ATOM 739 CG1 ILE A 81 -7.033 6.447 1.740 1.00 0.00 C ATOM 740 CG2 ILE A 81 -5.297 8.213 1.329 1.00 0.00 C ATOM 741 CD1 ILE A 81 -6.258 5.282 1.157 1.00 0.00 C ATOM 0 H ILE A 81 -7.102 6.597 4.485 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.726 6.080 3.091 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.802 8.284 2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.728 6.068 2.489 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.632 6.902 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.938 8.631 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.720 9.013 1.793 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.617 7.486 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.953 4.563 0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.582 5.646 0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.681 4.798 1.945 1.00 0.00 H new ATOM 753 N LYS A 82 -4.731 8.816 4.931 1.00 0.00 N ATOM 754 CA LYS A 82 -3.846 9.816 5.521 1.00 0.00 C ATOM 755 C LYS A 82 -2.734 9.131 6.313 1.00 0.00 C ATOM 756 O LYS A 82 -1.567 9.529 6.247 1.00 0.00 O ATOM 757 CB LYS A 82 -4.630 10.779 6.420 1.00 0.00 C ATOM 758 CG LYS A 82 -3.777 11.908 6.979 1.00 0.00 C ATOM 759 CD LYS A 82 -4.601 12.968 7.706 1.00 0.00 C ATOM 760 CE LYS A 82 -5.247 12.439 8.980 1.00 0.00 C ATOM 761 NZ LYS A 82 -6.559 11.787 8.725 1.00 0.00 N ATOM 0 H LYS A 82 -5.690 8.838 5.279 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.398 10.397 4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.457 11.205 5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.067 10.219 7.247 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.039 11.494 7.666 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.226 12.378 6.165 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.960 13.814 7.953 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.377 13.340 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.575 11.723 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.384 13.261 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.310 12.315 9.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.750 11.780 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.536 10.810 9.080 1.00 0.00 H new ATOM 775 N LYS A 83 -3.109 8.091 7.052 1.00 0.00 N ATOM 776 CA LYS A 83 -2.147 7.273 7.783 1.00 0.00 C ATOM 777 C LYS A 83 -1.178 6.600 6.820 1.00 0.00 C ATOM 778 O LYS A 83 0.035 6.622 7.028 1.00 0.00 O ATOM 779 CB LYS A 83 -2.875 6.204 8.602 1.00 0.00 C ATOM 780 CG LYS A 83 -3.584 6.744 9.832 1.00 0.00 C ATOM 781 CD LYS A 83 -4.461 5.686 10.490 1.00 0.00 C ATOM 782 CE LYS A 83 -3.664 4.461 10.921 1.00 0.00 C ATOM 783 NZ LYS A 83 -2.637 4.788 11.945 1.00 0.00 N ATOM 0 H LYS A 83 -4.079 7.794 7.161 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.587 7.924 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.605 5.707 7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.155 5.447 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.845 7.101 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.197 7.601 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.958 6.118 11.359 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.243 5.382 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.345 3.709 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.178 4.021 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.202 3.910 12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.905 5.393 11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.085 5.291 12.738 1.00 0.00 H new ATOM 797 N PHE A 84 -1.739 6.019 5.768 1.00 0.00 N ATOM 798 CA PHE A 84 -0.976 5.302 4.757 1.00 0.00 C ATOM 799 C PHE A 84 0.095 6.201 4.148 1.00 0.00 C ATOM 800 O PHE A 84 1.269 5.838 4.102 1.00 0.00 O ATOM 801 CB PHE A 84 -1.923 4.803 3.663 1.00 0.00 C ATOM 802 CG PHE A 84 -1.593 3.435 3.140 1.00 0.00 C ATOM 803 CD1 PHE A 84 -0.479 3.228 2.343 1.00 0.00 C ATOM 804 CD2 PHE A 84 -2.407 2.355 3.441 1.00 0.00 C ATOM 805 CE1 PHE A 84 -0.185 1.970 1.856 1.00 0.00 C ATOM 806 CE2 PHE A 84 -2.118 1.095 2.958 1.00 0.00 C ATOM 807 CZ PHE A 84 -1.005 0.901 2.165 1.00 0.00 C ATOM 0 H PHE A 84 -2.744 6.032 5.592 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.481 4.453 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -2.940 4.794 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -1.907 5.510 2.834 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.166 4.059 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.279 2.501 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.685 1.821 1.234 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.762 0.262 3.200 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.775 -0.084 1.787 1.00 0.00 H new ATOM 817 N LYS A 85 -0.316 7.384 3.699 1.00 0.00 N ATOM 818 CA LYS A 85 0.605 8.329 3.077 1.00 0.00 C ATOM 819 C LYS A 85 1.698 8.757 4.050 1.00 0.00 C ATOM 820 O LYS A 85 2.850 8.947 3.656 1.00 0.00 O ATOM 821 CB LYS A 85 -0.141 9.562 2.565 1.00 0.00 C ATOM 822 CG LYS A 85 -1.146 9.263 1.465 1.00 0.00 C ATOM 823 CD LYS A 85 -1.756 10.544 0.923 1.00 0.00 C ATOM 824 CE LYS A 85 -2.800 10.264 -0.145 1.00 0.00 C ATOM 825 NZ LYS A 85 -3.451 11.513 -0.620 1.00 0.00 N ATOM 0 H LYS A 85 -1.281 7.710 3.755 1.00 0.00 H new ATOM 0 HA LYS A 85 1.070 7.821 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.661 10.032 3.400 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.585 10.285 2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.656 8.719 0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.933 8.617 1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.212 11.103 1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.969 11.173 0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.331 9.755 -0.987 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.557 9.589 0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.454 11.327 -0.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.376 12.245 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.979 11.843 -1.486 1.00 0.00 H new ATOM 839 N LYS A 86 1.332 8.903 5.320 1.00 0.00 N ATOM 840 CA LYS A 86 2.289 9.288 6.350 1.00 0.00 C ATOM 841 C LYS A 86 3.363 8.220 6.500 1.00 0.00 C ATOM 842 O LYS A 86 4.558 8.520 6.511 1.00 0.00 O ATOM 843 CB LYS A 86 1.584 9.497 7.692 1.00 0.00 C ATOM 844 CG LYS A 86 2.531 9.899 8.814 1.00 0.00 C ATOM 845 CD LYS A 86 1.833 9.966 10.166 1.00 0.00 C ATOM 846 CE LYS A 86 1.653 8.590 10.805 1.00 0.00 C ATOM 847 NZ LYS A 86 0.694 7.724 10.065 1.00 0.00 N ATOM 0 H LYS A 86 0.381 8.761 5.659 1.00 0.00 H new ATOM 0 HA LYS A 86 2.754 10.226 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.820 10.266 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.070 8.577 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.352 9.184 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.969 10.871 8.586 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.411 10.601 10.838 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.857 10.436 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.620 8.090 10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.304 8.715 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 0.178 7.123 10.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.019 8.320 9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.215 7.123 9.394 1.00 0.00 H new ATOM 861 N ASP A 87 2.924 6.974 6.604 1.00 0.00 N ATOM 862 CA ASP A 87 3.835 5.849 6.757 1.00 0.00 C ATOM 863 C ASP A 87 4.708 5.697 5.522 1.00 0.00 C ATOM 864 O ASP A 87 5.893 5.383 5.627 1.00 0.00 O ATOM 865 CB ASP A 87 3.057 4.559 7.022 1.00 0.00 C ATOM 866 CG ASP A 87 2.540 4.472 8.445 1.00 0.00 C ATOM 867 OD1 ASP A 87 1.954 5.460 8.943 1.00 0.00 O ATOM 868 OD2 ASP A 87 2.710 3.409 9.078 1.00 0.00 O ATOM 0 H ASP A 87 1.937 6.716 6.585 1.00 0.00 H new ATOM 0 HA ASP A 87 4.480 6.045 7.614 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.217 4.497 6.330 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.701 3.703 6.820 1.00 0.00 H new ATOM 873 N LEU A 88 4.121 5.936 4.354 1.00 0.00 N ATOM 874 CA LEU A 88 4.865 5.902 3.101 1.00 0.00 C ATOM 875 C LEU A 88 5.979 6.940 3.117 1.00 0.00 C ATOM 876 O LEU A 88 7.117 6.649 2.750 1.00 0.00 O ATOM 877 CB LEU A 88 3.936 6.163 1.913 1.00 0.00 C ATOM 878 CG LEU A 88 2.896 5.077 1.633 1.00 0.00 C ATOM 879 CD1 LEU A 88 2.007 5.494 0.475 1.00 0.00 C ATOM 880 CD2 LEU A 88 3.570 3.746 1.332 1.00 0.00 C ATOM 0 H LEU A 88 3.130 6.156 4.249 1.00 0.00 H new ATOM 0 HA LEU A 88 5.302 4.909 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.414 7.105 2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.547 6.294 1.020 1.00 0.00 H new ATOM 0 HG LEU A 88 2.280 4.951 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.270 4.714 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.496 6.423 0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.617 5.644 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.810 2.989 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.210 3.852 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.173 3.442 2.188 1.00 0.00 H new ATOM 892 N ALA A 89 5.640 8.144 3.561 1.00 0.00 N ATOM 893 CA ALA A 89 6.603 9.233 3.650 1.00 0.00 C ATOM 894 C ALA A 89 7.727 8.886 4.620 1.00 0.00 C ATOM 895 O ALA A 89 8.903 9.114 4.334 1.00 0.00 O ATOM 896 CB ALA A 89 5.904 10.510 4.086 1.00 0.00 C ATOM 0 H ALA A 89 4.699 8.391 3.867 1.00 0.00 H new ATOM 0 HA ALA A 89 7.042 9.387 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.631 11.319 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.135 10.770 3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.444 10.358 5.062 1.00 0.00 H new ATOM 902 N ALA A 90 7.354 8.324 5.763 1.00 0.00 N ATOM 903 CA ALA A 90 8.317 7.939 6.784 1.00 0.00 C ATOM 904 C ALA A 90 9.253 6.851 6.275 1.00 0.00 C ATOM 905 O ALA A 90 10.474 6.947 6.428 1.00 0.00 O ATOM 906 CB ALA A 90 7.595 7.469 8.036 1.00 0.00 C ATOM 0 H ALA A 90 6.384 8.124 6.006 1.00 0.00 H new ATOM 0 HA ALA A 90 8.919 8.814 7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.326 7.184 8.792 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.971 8.276 8.421 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.969 6.610 7.794 1.00 0.00 H new ATOM 912 N MET A 91 8.676 5.827 5.657 1.00 0.00 N ATOM 913 CA MET A 91 9.450 4.701 5.150 1.00 0.00 C ATOM 914 C MET A 91 10.356 5.133 4.002 1.00 0.00 C ATOM 915 O MET A 91 11.465 4.620 3.853 1.00 0.00 O ATOM 916 CB MET A 91 8.520 3.564 4.715 1.00 0.00 C ATOM 917 CG MET A 91 7.804 2.902 5.885 1.00 0.00 C ATOM 918 SD MET A 91 6.784 1.494 5.398 1.00 0.00 S ATOM 919 CE MET A 91 5.605 2.280 4.300 1.00 0.00 C ATOM 0 H MET A 91 7.672 5.754 5.495 1.00 0.00 H new ATOM 0 HA MET A 91 10.086 4.334 5.956 1.00 0.00 H new ATOM 0 HB2 MET A 91 7.780 3.954 4.017 1.00 0.00 H new ATOM 0 HB3 MET A 91 9.100 2.813 4.178 1.00 0.00 H new ATOM 0 HG2 MET A 91 8.544 2.570 6.613 1.00 0.00 H new ATOM 0 HG3 MET A 91 7.176 3.641 6.382 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.826 1.567 4.032 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.156 3.137 4.802 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.116 2.615 3.397 1.00 0.00 H new ATOM 929 N LEU A 92 9.887 6.088 3.210 1.00 0.00 N ATOM 930 CA LEU A 92 10.694 6.671 2.142 1.00 0.00 C ATOM 931 C LEU A 92 11.943 7.329 2.718 1.00 0.00 C ATOM 932 O LEU A 92 13.061 7.142 2.220 1.00 0.00 O ATOM 933 CB LEU A 92 9.870 7.705 1.375 1.00 0.00 C ATOM 934 CG LEU A 92 10.621 8.468 0.283 1.00 0.00 C ATOM 935 CD1 LEU A 92 11.188 7.508 -0.750 1.00 0.00 C ATOM 936 CD2 LEU A 92 9.704 9.484 -0.379 1.00 0.00 C ATOM 0 H LEU A 92 8.948 6.478 3.286 1.00 0.00 H new ATOM 0 HA LEU A 92 11.000 5.877 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.018 7.200 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.470 8.426 2.088 1.00 0.00 H new ATOM 0 HG LEU A 92 11.452 9.001 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.718 8.071 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.878 6.817 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.375 6.946 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.253 10.019 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.854 8.969 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.347 10.193 0.368 1.00 0.00 H new ATOM 948 N ARG A 93 11.743 8.091 3.783 1.00 0.00 N ATOM 949 CA ARG A 93 12.839 8.768 4.454 1.00 0.00 C ATOM 950 C ARG A 93 13.842 7.759 4.993 1.00 0.00 C ATOM 951 O ARG A 93 15.037 8.033 5.037 1.00 0.00 O ATOM 952 CB ARG A 93 12.308 9.648 5.584 1.00 0.00 C ATOM 953 CG ARG A 93 11.438 10.790 5.095 1.00 0.00 C ATOM 954 CD ARG A 93 10.848 11.572 6.251 1.00 0.00 C ATOM 955 NE ARG A 93 9.937 12.614 5.788 1.00 0.00 N ATOM 956 CZ ARG A 93 9.011 13.187 6.551 1.00 0.00 C ATOM 957 NH1 ARG A 93 8.870 12.822 7.820 1.00 0.00 N ATOM 958 NH2 ARG A 93 8.224 14.127 6.042 1.00 0.00 N ATOM 0 H ARG A 93 10.827 8.255 4.201 1.00 0.00 H new ATOM 0 HA ARG A 93 13.347 9.403 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.733 9.032 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.150 10.055 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.029 11.457 4.467 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.634 10.396 4.473 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.316 10.892 6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.652 12.023 6.833 1.00 0.00 H new ATOM 0 HE ARG A 93 10.016 12.922 4.819 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.473 12.100 8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.158 13.264 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.330 14.408 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 93 7.513 14.568 6.626 1.00 0.00 H new ATOM 972 N ILE A 94 13.352 6.588 5.388 1.00 0.00 N ATOM 973 CA ILE A 94 14.224 5.526 5.870 1.00 0.00 C ATOM 974 C ILE A 94 15.082 4.963 4.733 1.00 0.00 C ATOM 975 O ILE A 94 16.247 4.624 4.943 1.00 0.00 O ATOM 976 CB ILE A 94 13.425 4.386 6.533 1.00 0.00 C ATOM 977 CG1 ILE A 94 12.549 4.942 7.659 1.00 0.00 C ATOM 978 CG2 ILE A 94 14.373 3.323 7.076 1.00 0.00 C ATOM 979 CD1 ILE A 94 11.641 3.913 8.293 1.00 0.00 C ATOM 0 H ILE A 94 12.360 6.352 5.383 1.00 0.00 H new ATOM 0 HA ILE A 94 14.876 5.968 6.623 1.00 0.00 H new ATOM 0 HB ILE A 94 12.781 3.927 5.783 1.00 0.00 H new ATOM 0 HG12 ILE A 94 13.192 5.369 8.429 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.940 5.756 7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 94 13.796 2.524 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.967 2.913 6.259 1.00 0.00 H new ATOM 0 HG23 ILE A 94 15.036 3.771 7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.053 4.383 9.081 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.972 3.503 7.537 1.00 0.00 H new ATOM 0 HD13 ILE A 94 12.243 3.110 8.719 1.00 0.00 H new ATOM 991 N ILE A 95 14.512 4.880 3.527 1.00 0.00 N ATOM 992 CA ILE A 95 15.272 4.446 2.353 1.00 0.00 C ATOM 993 C ILE A 95 16.488 5.340 2.172 1.00 0.00 C ATOM 994 O ILE A 95 17.617 4.871 2.011 1.00 0.00 O ATOM 995 CB ILE A 95 14.441 4.498 1.048 1.00 0.00 C ATOM 996 CG1 ILE A 95 13.137 3.726 1.200 1.00 0.00 C ATOM 997 CG2 ILE A 95 15.251 3.911 -0.098 1.00 0.00 C ATOM 998 CD1 ILE A 95 13.341 2.236 1.260 1.00 0.00 C ATOM 0 H ILE A 95 13.535 5.106 3.340 1.00 0.00 H new ATOM 0 HA ILE A 95 15.561 3.411 2.534 1.00 0.00 H new ATOM 0 HB ILE A 95 14.201 5.540 0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 95 12.630 4.055 2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 95 12.480 3.964 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 95 14.664 3.949 -1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 95 16.167 4.488 -0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 95 15.504 2.875 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 95 12.376 1.741 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 95 13.822 1.897 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 95 13.973 1.989 2.113 1.00 0.00 H new ATOM 1010 N ASN A 96 16.248 6.639 2.229 1.00 0.00 N ATOM 1011 CA ASN A 96 17.311 7.615 2.045 1.00 0.00 C ATOM 1012 C ASN A 96 18.183 7.720 3.292 1.00 0.00 C ATOM 1013 O ASN A 96 19.332 8.151 3.222 1.00 0.00 O ATOM 1014 CB ASN A 96 16.712 8.980 1.678 1.00 0.00 C ATOM 1015 CG ASN A 96 17.761 10.058 1.458 1.00 0.00 C ATOM 1016 OD1 ASN A 96 18.298 10.200 0.359 1.00 0.00 O ATOM 1017 ND2 ASN A 96 18.043 10.838 2.490 1.00 0.00 N ATOM 0 H ASN A 96 15.327 7.043 2.401 1.00 0.00 H new ATOM 0 HA ASN A 96 17.949 7.282 1.226 1.00 0.00 H new ATOM 0 HB2 ASN A 96 16.114 8.875 0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 96 16.036 9.297 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 96 18.727 11.588 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 96 17.577 10.689 3.385 1.00 0.00 H new ATOM 1024 N ALA A 97 17.641 7.305 4.425 1.00 0.00 N ATOM 1025 CA ALA A 97 18.376 7.337 5.681 1.00 0.00 C ATOM 1026 C ALA A 97 19.473 6.290 5.696 1.00 0.00 C ATOM 1027 O ALA A 97 20.592 6.551 6.142 1.00 0.00 O ATOM 1028 CB ALA A 97 17.443 7.090 6.848 1.00 0.00 C ATOM 0 H ALA A 97 16.691 6.941 4.502 1.00 0.00 H new ATOM 0 HA ALA A 97 18.825 8.326 5.774 1.00 0.00 H new ATOM 0 HB1 ALA A 97 18.009 7.117 7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 97 16.674 7.862 6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 97 16.973 6.113 6.738 1.00 0.00 H new ATOM 1034 N ARG A 98 19.150 5.107 5.195 1.00 0.00 N ATOM 1035 CA ARG A 98 20.066 3.980 5.291 1.00 0.00 C ATOM 1036 C ARG A 98 21.194 4.121 4.282 1.00 0.00 C ATOM 1037 O ARG A 98 22.329 3.739 4.555 1.00 0.00 O ATOM 1038 CB ARG A 98 19.328 2.636 5.133 1.00 0.00 C ATOM 1039 CG ARG A 98 18.384 2.566 3.942 1.00 0.00 C ATOM 1040 CD ARG A 98 17.508 1.318 3.983 1.00 0.00 C ATOM 1041 NE ARG A 98 18.249 0.102 3.644 1.00 0.00 N ATOM 1042 CZ ARG A 98 17.804 -1.139 3.842 1.00 0.00 C ATOM 1043 NH1 ARG A 98 16.656 -1.355 4.470 1.00 0.00 N ATOM 1044 NH2 ARG A 98 18.526 -2.168 3.423 1.00 0.00 N ATOM 0 H ARG A 98 18.269 4.903 4.722 1.00 0.00 H new ATOM 0 HA ARG A 98 20.505 3.986 6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.067 1.840 5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.759 2.440 6.042 1.00 0.00 H new ATOM 0 HG2 ARG A 98 17.751 3.453 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.963 2.573 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 98 17.078 1.212 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.677 1.439 3.289 1.00 0.00 H new ATOM 0 HE ARG A 98 19.173 0.212 3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.103 -0.567 4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.326 -2.309 4.616 1.00 0.00 H new ATOM 0 HH21 ARG A 98 19.417 -2.008 2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 98 18.191 -3.120 3.571 1.00 0.00 H new ATOM 1288 N GLY B 42 9.073 -9.796 -5.672 1.00 0.00 N ATOM 1289 CA GLY B 42 8.684 -8.736 -6.573 1.00 0.00 C ATOM 1290 C GLY B 42 9.797 -7.730 -6.763 1.00 0.00 C ATOM 1291 O GLY B 42 10.677 -7.617 -5.905 1.00 0.00 O ATOM 0 HA2 GLY B 42 8.408 -9.161 -7.538 1.00 0.00 H new ATOM 0 HA3 GLY B 42 7.800 -8.232 -6.182 1.00 0.00 H new ATOM 1295 N PRO B 43 9.803 -7.000 -7.886 1.00 0.00 N ATOM 1296 CA PRO B 43 10.798 -5.956 -8.143 1.00 0.00 C ATOM 1297 C PRO B 43 10.623 -4.765 -7.200 1.00 0.00 C ATOM 1298 O PRO B 43 9.679 -4.731 -6.413 1.00 0.00 O ATOM 1299 CB PRO B 43 10.529 -5.555 -9.594 1.00 0.00 C ATOM 1300 CG PRO B 43 9.103 -5.910 -9.826 1.00 0.00 C ATOM 1301 CD PRO B 43 8.847 -7.137 -8.999 1.00 0.00 C ATOM 0 HA PRO B 43 11.818 -6.302 -7.978 1.00 0.00 H new ATOM 0 HB2 PRO B 43 10.702 -4.490 -9.749 1.00 0.00 H new ATOM 0 HB3 PRO B 43 11.187 -6.088 -10.281 1.00 0.00 H new ATOM 0 HG2 PRO B 43 8.444 -5.094 -9.530 1.00 0.00 H new ATOM 0 HG3 PRO B 43 8.915 -6.104 -10.882 1.00 0.00 H new ATOM 0 HD2 PRO B 43 7.818 -7.175 -8.643 1.00 0.00 H new ATOM 0 HD3 PRO B 43 9.021 -8.050 -9.569 1.00 0.00 H new ATOM 1309 N ILE B 44 11.520 -3.788 -7.306 1.00 0.00 N ATOM 1310 CA ILE B 44 11.596 -2.669 -6.357 1.00 0.00 C ATOM 1311 C ILE B 44 10.238 -2.012 -6.058 1.00 0.00 C ATOM 1312 O ILE B 44 9.916 -1.746 -4.896 1.00 0.00 O ATOM 1313 CB ILE B 44 12.594 -1.593 -6.840 1.00 0.00 C ATOM 1314 CG1 ILE B 44 12.290 -1.169 -8.281 1.00 0.00 C ATOM 1315 CG2 ILE B 44 14.022 -2.109 -6.721 1.00 0.00 C ATOM 1316 CD1 ILE B 44 13.217 -0.094 -8.802 1.00 0.00 C ATOM 0 H ILE B 44 12.216 -3.745 -8.050 1.00 0.00 H new ATOM 0 HA ILE B 44 11.948 -3.111 -5.425 1.00 0.00 H new ATOM 0 HB ILE B 44 12.486 -0.715 -6.204 1.00 0.00 H new ATOM 0 HG12 ILE B 44 12.358 -2.042 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE B 44 11.262 -0.810 -8.336 1.00 0.00 H new ATOM 0 HG21 ILE B 44 14.716 -1.342 -7.064 1.00 0.00 H new ATOM 0 HG22 ILE B 44 14.236 -2.352 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE B 44 14.138 -3.003 -7.333 1.00 0.00 H new ATOM 0 HD11 ILE B 44 12.944 0.157 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE B 44 13.132 0.794 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE B 44 14.244 -0.457 -8.779 1.00 0.00 H new ATOM 1328 N ARG B 45 9.436 -1.763 -7.088 1.00 0.00 N ATOM 1329 CA ARG B 45 8.140 -1.118 -6.893 1.00 0.00 C ATOM 1330 C ARG B 45 7.193 -2.027 -6.126 1.00 0.00 C ATOM 1331 O ARG B 45 6.480 -1.586 -5.222 1.00 0.00 O ATOM 1332 CB ARG B 45 7.527 -0.713 -8.231 1.00 0.00 C ATOM 1333 CG ARG B 45 8.333 0.353 -8.945 1.00 0.00 C ATOM 1334 CD ARG B 45 7.679 0.793 -10.239 1.00 0.00 C ATOM 1335 NE ARG B 45 8.404 1.909 -10.845 1.00 0.00 N ATOM 1336 CZ ARG B 45 8.101 2.460 -12.016 1.00 0.00 C ATOM 1337 NH1 ARG B 45 7.062 2.022 -12.721 1.00 0.00 N ATOM 1338 NH2 ARG B 45 8.837 3.465 -12.471 1.00 0.00 N ATOM 0 H ARG B 45 9.656 -1.995 -8.057 1.00 0.00 H new ATOM 0 HA ARG B 45 8.300 -0.215 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG B 45 7.448 -1.592 -8.871 1.00 0.00 H new ATOM 0 HB3 ARG B 45 6.514 -0.347 -8.066 1.00 0.00 H new ATOM 0 HG2 ARG B 45 8.454 1.215 -8.289 1.00 0.00 H new ATOM 0 HG3 ARG B 45 9.332 -0.029 -9.156 1.00 0.00 H new ATOM 0 HD2 ARG B 45 7.646 -0.044 -10.936 1.00 0.00 H new ATOM 0 HD3 ARG B 45 6.647 1.088 -10.046 1.00 0.00 H new ATOM 0 HE ARG B 45 9.199 2.292 -10.333 1.00 0.00 H new ATOM 0 HH11 ARG B 45 6.490 1.257 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG B 45 6.837 2.451 -13.619 1.00 0.00 H new ATOM 0 HH21 ARG B 45 9.627 3.808 -11.924 1.00 0.00 H new ATOM 0 HH22 ARG B 45 8.614 3.895 -13.368 1.00 0.00 H new ATOM 1352 N MET B 46 7.203 -3.302 -6.478 1.00 0.00 N ATOM 1353 CA MET B 46 6.399 -4.285 -5.770 1.00 0.00 C ATOM 1354 C MET B 46 6.917 -4.489 -4.351 1.00 0.00 C ATOM 1355 O MET B 46 6.152 -4.838 -3.461 1.00 0.00 O ATOM 1356 CB MET B 46 6.366 -5.615 -6.522 1.00 0.00 C ATOM 1357 CG MET B 46 5.409 -5.618 -7.703 1.00 0.00 C ATOM 1358 SD MET B 46 5.409 -7.183 -8.596 1.00 0.00 S ATOM 1359 CE MET B 46 4.315 -6.791 -9.959 1.00 0.00 C ATOM 0 H MET B 46 7.757 -3.680 -7.247 1.00 0.00 H new ATOM 0 HA MET B 46 5.380 -3.901 -5.714 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.370 -5.848 -6.877 1.00 0.00 H new ATOM 0 HB3 MET B 46 6.080 -6.408 -5.831 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.400 -5.407 -7.348 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.681 -4.814 -8.387 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.608 -7.608 -10.105 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.769 -5.874 -9.735 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.901 -6.652 -10.867 1.00 0.00 H new ATOM 1369 N VAL B 47 8.211 -4.255 -4.141 1.00 0.00 N ATOM 1370 CA VAL B 47 8.793 -4.332 -2.804 1.00 0.00 C ATOM 1371 C VAL B 47 8.111 -3.339 -1.877 1.00 0.00 C ATOM 1372 O VAL B 47 7.674 -3.700 -0.788 1.00 0.00 O ATOM 1373 CB VAL B 47 10.315 -4.060 -2.809 1.00 0.00 C ATOM 1374 CG1 VAL B 47 10.870 -4.033 -1.391 1.00 0.00 C ATOM 1375 CG2 VAL B 47 11.036 -5.109 -3.635 1.00 0.00 C ATOM 0 H VAL B 47 8.874 -4.011 -4.877 1.00 0.00 H new ATOM 0 HA VAL B 47 8.635 -5.350 -2.447 1.00 0.00 H new ATOM 0 HB VAL B 47 10.482 -3.081 -3.258 1.00 0.00 H new ATOM 0 HG11 VAL B 47 11.942 -3.840 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL B 47 10.377 -3.245 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL B 47 10.689 -4.995 -0.911 1.00 0.00 H new ATOM 0 HG21 VAL B 47 12.107 -4.904 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL B 47 10.853 -6.096 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL B 47 10.667 -5.082 -4.660 1.00 0.00 H new ATOM 1385 N LEU B 48 8.000 -2.093 -2.326 1.00 0.00 N ATOM 1386 CA LEU B 48 7.323 -1.061 -1.543 1.00 0.00 C ATOM 1387 C LEU B 48 5.842 -1.390 -1.364 1.00 0.00 C ATOM 1388 O LEU B 48 5.245 -1.065 -0.336 1.00 0.00 O ATOM 1389 CB LEU B 48 7.486 0.320 -2.190 1.00 0.00 C ATOM 1390 CG LEU B 48 8.766 1.078 -1.812 1.00 0.00 C ATOM 1391 CD1 LEU B 48 10.005 0.329 -2.272 1.00 0.00 C ATOM 1392 CD2 LEU B 48 8.746 2.479 -2.400 1.00 0.00 C ATOM 0 H LEU B 48 8.367 -1.773 -3.222 1.00 0.00 H new ATOM 0 HA LEU B 48 7.791 -1.036 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU B 48 7.462 0.200 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU B 48 6.627 0.933 -1.918 1.00 0.00 H new ATOM 0 HG LEU B 48 8.803 1.153 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.895 0.891 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.032 -0.654 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU B 48 9.978 0.212 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.661 3.003 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU B 48 8.679 2.417 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU B 48 7.884 3.024 -2.014 1.00 0.00 H new ATOM 1404 N ALA B 49 5.256 -2.044 -2.361 1.00 0.00 N ATOM 1405 CA ALA B 49 3.864 -2.473 -2.277 1.00 0.00 C ATOM 1406 C ALA B 49 3.688 -3.570 -1.227 1.00 0.00 C ATOM 1407 O ALA B 49 2.803 -3.490 -0.373 1.00 0.00 O ATOM 1408 CB ALA B 49 3.375 -2.952 -3.633 1.00 0.00 C ATOM 0 H ALA B 49 5.722 -2.288 -3.235 1.00 0.00 H new ATOM 0 HA ALA B 49 3.264 -1.616 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA B 49 2.335 -3.269 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA B 49 3.453 -2.140 -4.356 1.00 0.00 H new ATOM 0 HB3 ALA B 49 3.986 -3.792 -3.964 1.00 0.00 H new ATOM 1414 N ILE B 50 4.540 -4.591 -1.290 1.00 0.00 N ATOM 1415 CA ILE B 50 4.509 -5.680 -0.316 1.00 0.00 C ATOM 1416 C ILE B 50 4.891 -5.151 1.064 1.00 0.00 C ATOM 1417 O ILE B 50 4.417 -5.641 2.090 1.00 0.00 O ATOM 1418 CB ILE B 50 5.468 -6.830 -0.711 1.00 0.00 C ATOM 1419 CG1 ILE B 50 5.168 -7.313 -2.134 1.00 0.00 C ATOM 1420 CG2 ILE B 50 5.349 -7.987 0.274 1.00 0.00 C ATOM 1421 CD1 ILE B 50 6.111 -8.390 -2.629 1.00 0.00 C ATOM 0 H ILE B 50 5.261 -4.687 -2.005 1.00 0.00 H new ATOM 0 HA ILE B 50 3.494 -6.078 -0.296 1.00 0.00 H new ATOM 0 HB ILE B 50 6.489 -6.451 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.147 -7.693 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE B 50 5.216 -6.462 -2.813 1.00 0.00 H new ATOM 0 HG21 ILE B 50 6.030 -8.786 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.606 -7.640 1.275 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.326 -8.363 0.272 1.00 0.00 H new ATOM 0 HD11 ILE B 50 5.833 -8.679 -3.643 1.00 0.00 H new ATOM 0 HD12 ILE B 50 7.132 -8.009 -2.627 1.00 0.00 H new ATOM 0 HD13 ILE B 50 6.047 -9.259 -1.974 1.00 0.00 H new ATOM 1433 N LEU B 51 5.749 -4.141 1.070 1.00 0.00 N ATOM 1434 CA LEU B 51 6.132 -3.454 2.292 1.00 0.00 C ATOM 1435 C LEU B 51 4.905 -2.855 2.968 1.00 0.00 C ATOM 1436 O LEU B 51 4.654 -3.112 4.141 1.00 0.00 O ATOM 1437 CB LEU B 51 7.134 -2.347 1.978 1.00 0.00 C ATOM 1438 CG LEU B 51 7.610 -1.534 3.179 1.00 0.00 C ATOM 1439 CD1 LEU B 51 8.670 -2.297 3.962 1.00 0.00 C ATOM 1440 CD2 LEU B 51 8.131 -0.185 2.720 1.00 0.00 C ATOM 0 H LEU B 51 6.197 -3.776 0.230 1.00 0.00 H new ATOM 0 HA LEU B 51 6.593 -4.176 2.966 1.00 0.00 H new ATOM 0 HB2 LEU B 51 8.003 -2.794 1.496 1.00 0.00 H new ATOM 0 HB3 LEU B 51 6.683 -1.666 1.256 1.00 0.00 H new ATOM 0 HG LEU B 51 6.765 -1.366 3.847 1.00 0.00 H new ATOM 0 HD11 LEU B 51 8.995 -1.699 4.813 1.00 0.00 H new ATOM 0 HD12 LEU B 51 8.252 -3.238 4.319 1.00 0.00 H new ATOM 0 HD13 LEU B 51 9.523 -2.501 3.315 1.00 0.00 H new ATOM 0 HD21 LEU B 51 8.468 0.388 3.584 1.00 0.00 H new ATOM 0 HD22 LEU B 51 8.965 -0.331 2.034 1.00 0.00 H new ATOM 0 HD23 LEU B 51 7.335 0.359 2.212 1.00 0.00 H new ATOM 1452 N ALA B 52 4.144 -2.061 2.213 1.00 0.00 N ATOM 1453 CA ALA B 52 2.925 -1.445 2.728 1.00 0.00 C ATOM 1454 C ALA B 52 1.939 -2.509 3.182 1.00 0.00 C ATOM 1455 O ALA B 52 1.248 -2.347 4.191 1.00 0.00 O ATOM 1456 CB ALA B 52 2.285 -0.557 1.676 1.00 0.00 C ATOM 0 H ALA B 52 4.353 -1.831 1.242 1.00 0.00 H new ATOM 0 HA ALA B 52 3.195 -0.829 3.585 1.00 0.00 H new ATOM 0 HB1 ALA B 52 1.378 -0.108 2.081 1.00 0.00 H new ATOM 0 HB2 ALA B 52 2.983 0.230 1.391 1.00 0.00 H new ATOM 0 HB3 ALA B 52 2.034 -1.154 0.800 1.00 0.00 H new ATOM 1462 N PHE B 53 1.886 -3.597 2.428 1.00 0.00 N ATOM 1463 CA PHE B 53 1.082 -4.750 2.793 1.00 0.00 C ATOM 1464 C PHE B 53 1.475 -5.221 4.189 1.00 0.00 C ATOM 1465 O PHE B 53 0.675 -5.178 5.115 1.00 0.00 O ATOM 1466 CB PHE B 53 1.282 -5.867 1.761 1.00 0.00 C ATOM 1467 CG PHE B 53 0.528 -7.139 2.045 1.00 0.00 C ATOM 1468 CD1 PHE B 53 -0.800 -7.273 1.677 1.00 0.00 C ATOM 1469 CD2 PHE B 53 1.158 -8.209 2.658 1.00 0.00 C ATOM 1470 CE1 PHE B 53 -1.485 -8.449 1.919 1.00 0.00 C ATOM 1471 CE2 PHE B 53 0.478 -9.385 2.905 1.00 0.00 C ATOM 1472 CZ PHE B 53 -0.845 -9.505 2.535 1.00 0.00 C ATOM 0 H PHE B 53 2.396 -3.704 1.551 1.00 0.00 H new ATOM 0 HA PHE B 53 0.027 -4.477 2.803 1.00 0.00 H new ATOM 0 HB2 PHE B 53 0.980 -5.495 0.782 1.00 0.00 H new ATOM 0 HB3 PHE B 53 2.345 -6.099 1.700 1.00 0.00 H new ATOM 0 HD1 PHE B 53 -1.306 -6.450 1.195 1.00 0.00 H new ATOM 0 HD2 PHE B 53 2.195 -8.122 2.947 1.00 0.00 H new ATOM 0 HE1 PHE B 53 -2.520 -8.541 1.626 1.00 0.00 H new ATOM 0 HE2 PHE B 53 0.982 -10.210 3.387 1.00 0.00 H new ATOM 0 HZ PHE B 53 -1.379 -10.424 2.727 1.00 0.00 H new ATOM 1482 N LEU B 54 2.731 -5.606 4.344 1.00 0.00 N ATOM 1483 CA LEU B 54 3.246 -6.111 5.619 1.00 0.00 C ATOM 1484 C LEU B 54 3.399 -4.998 6.649 1.00 0.00 C ATOM 1485 O LEU B 54 3.815 -5.238 7.782 1.00 0.00 O ATOM 1486 CB LEU B 54 4.590 -6.810 5.402 1.00 0.00 C ATOM 1487 CG LEU B 54 4.566 -7.986 4.424 1.00 0.00 C ATOM 1488 CD1 LEU B 54 5.979 -8.451 4.113 1.00 0.00 C ATOM 1489 CD2 LEU B 54 3.743 -9.134 4.991 1.00 0.00 C ATOM 0 H LEU B 54 3.425 -5.580 3.597 1.00 0.00 H new ATOM 0 HA LEU B 54 2.521 -6.826 6.008 1.00 0.00 H new ATOM 0 HB2 LEU B 54 5.309 -6.074 5.042 1.00 0.00 H new ATOM 0 HB3 LEU B 54 4.954 -7.167 6.365 1.00 0.00 H new ATOM 0 HG LEU B 54 4.101 -7.651 3.497 1.00 0.00 H new ATOM 0 HD11 LEU B 54 5.941 -9.288 3.416 1.00 0.00 H new ATOM 0 HD12 LEU B 54 6.542 -7.631 3.666 1.00 0.00 H new ATOM 0 HD13 LEU B 54 6.469 -8.768 5.034 1.00 0.00 H new ATOM 0 HD21 LEU B 54 3.737 -9.962 4.282 1.00 0.00 H new ATOM 0 HD22 LEU B 54 4.181 -9.466 5.932 1.00 0.00 H new ATOM 0 HD23 LEU B 54 2.721 -8.798 5.165 1.00 0.00 H new ATOM 1501 N ARG B 55 3.065 -3.785 6.257 1.00 0.00 N ATOM 1502 CA ARG B 55 3.102 -2.667 7.142 1.00 0.00 C ATOM 1503 C ARG B 55 1.752 -2.504 7.838 1.00 0.00 C ATOM 1504 O ARG B 55 1.681 -2.135 9.010 1.00 0.00 O ATOM 1505 CB ARG B 55 3.455 -1.425 6.334 1.00 0.00 C ATOM 1506 CG ARG B 55 3.333 -0.162 7.123 1.00 0.00 C ATOM 1507 CD ARG B 55 4.272 -0.169 8.312 1.00 0.00 C ATOM 1508 NE ARG B 55 4.232 1.094 9.045 1.00 0.00 N ATOM 1509 CZ ARG B 55 5.133 1.467 9.948 1.00 0.00 C ATOM 1510 NH1 ARG B 55 6.159 0.676 10.244 1.00 0.00 N ATOM 1511 NH2 ARG B 55 5.005 2.640 10.551 1.00 0.00 N ATOM 0 H ARG B 55 2.761 -3.559 5.310 1.00 0.00 H new ATOM 0 HA ARG B 55 3.855 -2.821 7.915 1.00 0.00 H new ATOM 0 HB2 ARG B 55 4.475 -1.518 5.962 1.00 0.00 H new ATOM 0 HB3 ARG B 55 2.803 -1.367 5.463 1.00 0.00 H new ATOM 0 HG2 ARG B 55 3.556 0.693 6.484 1.00 0.00 H new ATOM 0 HG3 ARG B 55 2.306 -0.043 7.468 1.00 0.00 H new ATOM 0 HD2 ARG B 55 4.004 -0.986 8.982 1.00 0.00 H new ATOM 0 HD3 ARG B 55 5.290 -0.358 7.970 1.00 0.00 H new ATOM 0 HE ARG B 55 3.461 1.733 8.851 1.00 0.00 H new ATOM 0 HH11 ARG B 55 6.260 -0.225 9.777 1.00 0.00 H new ATOM 0 HH12 ARG B 55 6.846 0.970 10.938 1.00 0.00 H new ATOM 0 HH21 ARG B 55 4.220 3.249 10.321 1.00 0.00 H new ATOM 0 HH22 ARG B 55 5.692 2.934 11.245 1.00 0.00 H new ATOM 1525 N PHE B 56 0.682 -2.799 7.114 1.00 0.00 N ATOM 1526 CA PHE B 56 -0.662 -2.613 7.641 1.00 0.00 C ATOM 1527 C PHE B 56 -1.373 -3.942 7.908 1.00 0.00 C ATOM 1528 O PHE B 56 -2.291 -4.001 8.726 1.00 0.00 O ATOM 1529 CB PHE B 56 -1.481 -1.740 6.688 1.00 0.00 C ATOM 1530 CG PHE B 56 -1.148 -0.277 6.785 1.00 0.00 C ATOM 1531 CD1 PHE B 56 -1.853 0.549 7.647 1.00 0.00 C ATOM 1532 CD2 PHE B 56 -0.130 0.272 6.022 1.00 0.00 C ATOM 1533 CE1 PHE B 56 -1.548 1.894 7.745 1.00 0.00 C ATOM 1534 CE2 PHE B 56 0.179 1.615 6.116 1.00 0.00 C ATOM 1535 CZ PHE B 56 -0.531 2.427 6.979 1.00 0.00 C ATOM 0 H PHE B 56 0.718 -3.167 6.163 1.00 0.00 H new ATOM 0 HA PHE B 56 -0.571 -2.108 8.603 1.00 0.00 H new ATOM 0 HB2 PHE B 56 -1.314 -2.076 5.665 1.00 0.00 H new ATOM 0 HB3 PHE B 56 -2.541 -1.879 6.900 1.00 0.00 H new ATOM 0 HD1 PHE B 56 -2.650 0.137 8.249 1.00 0.00 H new ATOM 0 HD2 PHE B 56 0.429 -0.358 5.346 1.00 0.00 H new ATOM 0 HE1 PHE B 56 -2.105 2.527 8.420 1.00 0.00 H new ATOM 0 HE2 PHE B 56 0.975 2.030 5.515 1.00 0.00 H new ATOM 0 HZ PHE B 56 -0.291 3.477 7.054 1.00 0.00 H new ATOM 1545 N THR B 57 -0.949 -5.007 7.236 1.00 0.00 N ATOM 1546 CA THR B 57 -1.569 -6.319 7.419 1.00 0.00 C ATOM 1547 C THR B 57 -0.781 -7.151 8.422 1.00 0.00 C ATOM 1548 O THR B 57 -1.200 -8.236 8.823 1.00 0.00 O ATOM 1549 CB THR B 57 -1.662 -7.101 6.090 1.00 0.00 C ATOM 1550 OG1 THR B 57 -0.354 -7.477 5.650 1.00 0.00 O ATOM 1551 CG2 THR B 57 -2.324 -6.264 5.007 1.00 0.00 C ATOM 0 H THR B 57 -0.183 -4.991 6.563 1.00 0.00 H new ATOM 0 HA THR B 57 -2.577 -6.141 7.793 1.00 0.00 H new ATOM 0 HB THR B 57 -2.266 -7.990 6.269 1.00 0.00 H new ATOM 0 HG1 THR B 57 0.255 -6.715 5.745 1.00 0.00 H new ATOM 0 HG21 THR B 57 -2.376 -6.840 4.083 1.00 0.00 H new ATOM 0 HG22 THR B 57 -3.331 -5.992 5.322 1.00 0.00 H new ATOM 0 HG23 THR B 57 -1.740 -5.359 4.838 1.00 0.00 H new ATOM 1559 N ALA B 58 0.350 -6.616 8.844 1.00 0.00 N ATOM 1560 CA ALA B 58 1.264 -7.337 9.713 1.00 0.00 C ATOM 1561 C ALA B 58 1.858 -6.400 10.753 1.00 0.00 C ATOM 1562 O ALA B 58 1.735 -5.177 10.642 1.00 0.00 O ATOM 1563 CB ALA B 58 2.364 -7.992 8.890 1.00 0.00 C ATOM 0 H ALA B 58 0.660 -5.676 8.597 1.00 0.00 H new ATOM 0 HA ALA B 58 0.710 -8.118 10.234 1.00 0.00 H new ATOM 0 HB1 ALA B 58 3.043 -8.529 9.552 1.00 0.00 H new ATOM 0 HB2 ALA B 58 1.921 -8.691 8.180 1.00 0.00 H new ATOM 0 HB3 ALA B 58 2.918 -7.226 8.347 1.00 0.00 H new ATOM 1569 N ILE B 59 2.499 -6.980 11.758 1.00 0.00 N ATOM 1570 CA ILE B 59 3.053 -6.214 12.866 1.00 0.00 C ATOM 1571 C ILE B 59 4.483 -5.814 12.561 1.00 0.00 C ATOM 1572 O ILE B 59 4.996 -4.808 13.057 1.00 0.00 O ATOM 1573 CB ILE B 59 3.004 -7.004 14.204 1.00 0.00 C ATOM 1574 CG1 ILE B 59 1.566 -7.395 14.573 1.00 0.00 C ATOM 1575 CG2 ILE B 59 3.625 -6.194 15.333 1.00 0.00 C ATOM 1576 CD1 ILE B 59 1.043 -8.609 13.832 1.00 0.00 C ATOM 0 H ILE B 59 2.649 -7.986 11.829 1.00 0.00 H new ATOM 0 HA ILE B 59 2.438 -5.322 12.983 1.00 0.00 H new ATOM 0 HB ILE B 59 3.582 -7.917 14.063 1.00 0.00 H new ATOM 0 HG12 ILE B 59 1.518 -7.589 15.645 1.00 0.00 H new ATOM 0 HG13 ILE B 59 0.908 -6.549 14.372 1.00 0.00 H new ATOM 0 HG21 ILE B 59 3.580 -6.767 16.259 1.00 0.00 H new ATOM 0 HG22 ILE B 59 4.665 -5.974 15.093 1.00 0.00 H new ATOM 0 HG23 ILE B 59 3.076 -5.261 15.456 1.00 0.00 H new ATOM 0 HD11 ILE B 59 0.022 -8.818 14.151 1.00 0.00 H new ATOM 0 HD12 ILE B 59 1.056 -8.414 12.760 1.00 0.00 H new ATOM 0 HD13 ILE B 59 1.675 -9.470 14.052 1.00 0.00 H new ATOM 1588 N LYS B 60 5.100 -6.599 11.719 1.00 0.00 N ATOM 1589 CA LYS B 60 6.476 -6.372 11.315 1.00 0.00 C ATOM 1590 C LYS B 60 6.698 -6.845 9.882 1.00 0.00 C ATOM 1591 O LYS B 60 6.423 -7.999 9.554 1.00 0.00 O ATOM 1592 CB LYS B 60 7.439 -7.100 12.256 1.00 0.00 C ATOM 1593 CG LYS B 60 8.902 -6.862 11.919 1.00 0.00 C ATOM 1594 CD LYS B 60 9.826 -7.612 12.861 1.00 0.00 C ATOM 1595 CE LYS B 60 11.284 -7.340 12.531 1.00 0.00 C ATOM 1596 NZ LYS B 60 12.203 -8.005 13.489 1.00 0.00 N ATOM 0 H LYS B 60 4.669 -7.417 11.289 1.00 0.00 H new ATOM 0 HA LYS B 60 6.673 -5.301 11.368 1.00 0.00 H new ATOM 0 HB2 LYS B 60 7.251 -6.775 13.279 1.00 0.00 H new ATOM 0 HB3 LYS B 60 7.234 -8.170 12.218 1.00 0.00 H new ATOM 0 HG2 LYS B 60 9.095 -7.177 10.893 1.00 0.00 H new ATOM 0 HG3 LYS B 60 9.118 -5.795 11.971 1.00 0.00 H new ATOM 0 HD2 LYS B 60 9.621 -7.314 13.889 1.00 0.00 H new ATOM 0 HD3 LYS B 60 9.628 -8.682 12.794 1.00 0.00 H new ATOM 0 HE2 LYS B 60 11.499 -7.689 11.521 1.00 0.00 H new ATOM 0 HE3 LYS B 60 11.464 -6.265 12.542 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 13.188 -7.794 13.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 12.016 -7.654 14.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 12.050 -9.033 13.460 1.00 0.00 H new ATOM 1610 N PRO B 61 7.181 -5.950 9.006 1.00 0.00 N ATOM 1611 CA PRO B 61 7.524 -6.300 7.625 1.00 0.00 C ATOM 1612 C PRO B 61 8.647 -7.332 7.564 1.00 0.00 C ATOM 1613 O PRO B 61 9.610 -7.268 8.336 1.00 0.00 O ATOM 1614 CB PRO B 61 7.986 -4.973 7.011 1.00 0.00 C ATOM 1615 CG PRO B 61 7.445 -3.917 7.913 1.00 0.00 C ATOM 1616 CD PRO B 61 7.414 -4.525 9.284 1.00 0.00 C ATOM 0 HA PRO B 61 6.682 -6.749 7.098 1.00 0.00 H new ATOM 0 HB2 PRO B 61 9.073 -4.923 6.954 1.00 0.00 H new ATOM 0 HB3 PRO B 61 7.607 -4.856 5.996 1.00 0.00 H new ATOM 0 HG2 PRO B 61 8.074 -3.027 7.894 1.00 0.00 H new ATOM 0 HG3 PRO B 61 6.448 -3.609 7.600 1.00 0.00 H new ATOM 0 HD2 PRO B 61 8.351 -4.365 9.818 1.00 0.00 H new ATOM 0 HD3 PRO B 61 6.621 -4.098 9.897 1.00 0.00 H new ATOM 1624 N SER B 62 8.505 -8.283 6.648 1.00 0.00 N ATOM 1625 CA SER B 62 9.477 -9.355 6.474 1.00 0.00 C ATOM 1626 C SER B 62 10.842 -8.798 6.088 1.00 0.00 C ATOM 1627 O SER B 62 10.947 -7.893 5.256 1.00 0.00 O ATOM 1628 CB SER B 62 8.984 -10.331 5.403 1.00 0.00 C ATOM 1629 OG SER B 62 9.908 -11.384 5.200 1.00 0.00 O ATOM 0 H SER B 62 7.714 -8.332 6.006 1.00 0.00 H new ATOM 0 HA SER B 62 9.583 -9.882 7.422 1.00 0.00 H new ATOM 0 HB2 SER B 62 8.020 -10.743 5.700 1.00 0.00 H new ATOM 0 HB3 SER B 62 8.827 -9.797 4.466 1.00 0.00 H new ATOM 0 HG SER B 62 9.565 -11.992 4.512 1.00 0.00 H new ATOM 1635 N LEU B 63 11.885 -9.365 6.692 1.00 0.00 N ATOM 1636 CA LEU B 63 13.248 -8.883 6.512 1.00 0.00 C ATOM 1637 C LEU B 63 13.729 -9.091 5.084 1.00 0.00 C ATOM 1638 O LEU B 63 14.680 -8.443 4.650 1.00 0.00 O ATOM 1639 CB LEU B 63 14.201 -9.578 7.485 1.00 0.00 C ATOM 1640 CG LEU B 63 13.918 -9.327 8.967 1.00 0.00 C ATOM 1641 CD1 LEU B 63 14.905 -10.094 9.830 1.00 0.00 C ATOM 1642 CD2 LEU B 63 13.979 -7.840 9.282 1.00 0.00 C ATOM 0 H LEU B 63 11.807 -10.168 7.317 1.00 0.00 H new ATOM 0 HA LEU B 63 13.243 -7.813 6.720 1.00 0.00 H new ATOM 0 HB2 LEU B 63 14.162 -10.652 7.301 1.00 0.00 H new ATOM 0 HB3 LEU B 63 15.218 -9.253 7.266 1.00 0.00 H new ATOM 0 HG LEU B 63 12.912 -9.682 9.190 1.00 0.00 H new ATOM 0 HD11 LEU B 63 14.691 -9.906 10.882 1.00 0.00 H new ATOM 0 HD12 LEU B 63 14.814 -11.161 9.627 1.00 0.00 H new ATOM 0 HD13 LEU B 63 15.919 -9.767 9.601 1.00 0.00 H new ATOM 0 HD21 LEU B 63 13.775 -7.684 10.341 1.00 0.00 H new ATOM 0 HD22 LEU B 63 14.972 -7.458 9.044 1.00 0.00 H new ATOM 0 HD23 LEU B 63 13.234 -7.311 8.687 1.00 0.00 H new ATOM 1654 N GLY B 64 13.080 -9.998 4.360 1.00 0.00 N ATOM 1655 CA GLY B 64 13.390 -10.174 2.954 1.00 0.00 C ATOM 1656 C GLY B 64 13.068 -8.924 2.164 1.00 0.00 C ATOM 1657 O GLY B 64 13.871 -8.455 1.352 1.00 0.00 O ATOM 0 H GLY B 64 12.349 -10.611 4.720 1.00 0.00 H new ATOM 0 HA2 GLY B 64 14.446 -10.418 2.839 1.00 0.00 H new ATOM 0 HA3 GLY B 64 12.823 -11.016 2.556 1.00 0.00 H new ATOM 1661 N LEU B 65 11.897 -8.361 2.433 1.00 0.00 N ATOM 1662 CA LEU B 65 11.480 -7.125 1.798 1.00 0.00 C ATOM 1663 C LEU B 65 12.305 -5.960 2.326 1.00 0.00 C ATOM 1664 O LEU B 65 12.551 -5.002 1.611 1.00 0.00 O ATOM 1665 CB LEU B 65 9.984 -6.864 2.028 1.00 0.00 C ATOM 1666 CG LEU B 65 9.013 -7.711 1.189 1.00 0.00 C ATOM 1667 CD1 LEU B 65 9.274 -7.518 -0.297 1.00 0.00 C ATOM 1668 CD2 LEU B 65 9.097 -9.185 1.558 1.00 0.00 C ATOM 0 H LEU B 65 11.219 -8.746 3.090 1.00 0.00 H new ATOM 0 HA LEU B 65 11.646 -7.221 0.725 1.00 0.00 H new ATOM 0 HB2 LEU B 65 9.764 -7.033 3.082 1.00 0.00 H new ATOM 0 HB3 LEU B 65 9.784 -5.812 1.826 1.00 0.00 H new ATOM 0 HG LEU B 65 8.002 -7.369 1.411 1.00 0.00 H new ATOM 0 HD11 LEU B 65 8.576 -8.127 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU B 65 9.139 -6.468 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU B 65 10.295 -7.821 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU B 65 8.397 -9.754 0.946 1.00 0.00 H new ATOM 0 HD22 LEU B 65 10.110 -9.547 1.383 1.00 0.00 H new ATOM 0 HD23 LEU B 65 8.844 -9.312 2.611 1.00 0.00 H new ATOM 1680 N ILE B 66 12.744 -6.065 3.577 1.00 0.00 N ATOM 1681 CA ILE B 66 13.591 -5.043 4.192 1.00 0.00 C ATOM 1682 C ILE B 66 14.985 -5.049 3.561 1.00 0.00 C ATOM 1683 O ILE B 66 15.647 -4.013 3.459 1.00 0.00 O ATOM 1684 CB ILE B 66 13.709 -5.264 5.718 1.00 0.00 C ATOM 1685 CG1 ILE B 66 12.324 -5.214 6.362 1.00 0.00 C ATOM 1686 CG2 ILE B 66 14.632 -4.232 6.355 1.00 0.00 C ATOM 1687 CD1 ILE B 66 11.631 -3.874 6.224 1.00 0.00 C ATOM 0 H ILE B 66 12.527 -6.851 4.189 1.00 0.00 H new ATOM 0 HA ILE B 66 13.123 -4.074 4.016 1.00 0.00 H new ATOM 0 HB ILE B 66 14.144 -6.249 5.888 1.00 0.00 H new ATOM 0 HG12 ILE B 66 11.697 -5.984 5.913 1.00 0.00 H new ATOM 0 HG13 ILE B 66 12.417 -5.456 7.421 1.00 0.00 H new ATOM 0 HG21 ILE B 66 14.695 -4.413 7.428 1.00 0.00 H new ATOM 0 HG22 ILE B 66 15.626 -4.312 5.915 1.00 0.00 H new ATOM 0 HG23 ILE B 66 14.236 -3.232 6.179 1.00 0.00 H new ATOM 0 HD11 ILE B 66 10.654 -3.918 6.706 1.00 0.00 H new ATOM 0 HD12 ILE B 66 12.235 -3.101 6.699 1.00 0.00 H new ATOM 0 HD13 ILE B 66 11.504 -3.637 5.168 1.00 0.00 H new ATOM 1699 N ASN B 67 15.416 -6.226 3.130 1.00 0.00 N ATOM 1700 CA ASN B 67 16.703 -6.381 2.463 1.00 0.00 C ATOM 1701 C ASN B 67 16.659 -5.749 1.076 1.00 0.00 C ATOM 1702 O ASN B 67 17.573 -5.029 0.680 1.00 0.00 O ATOM 1703 CB ASN B 67 17.072 -7.867 2.361 1.00 0.00 C ATOM 1704 CG ASN B 67 18.409 -8.108 1.678 1.00 0.00 C ATOM 1705 OD1 ASN B 67 19.322 -7.284 1.743 1.00 0.00 O ATOM 1706 ND2 ASN B 67 18.533 -9.248 1.018 1.00 0.00 N ATOM 0 H ASN B 67 14.890 -7.094 3.231 1.00 0.00 H new ATOM 0 HA ASN B 67 17.466 -5.872 3.052 1.00 0.00 H new ATOM 0 HB2 ASN B 67 17.100 -8.297 3.362 1.00 0.00 H new ATOM 0 HB3 ASN B 67 16.291 -8.392 1.811 1.00 0.00 H new ATOM 0 HD21 ASN B 67 19.407 -9.469 0.541 1.00 0.00 H new ATOM 0 HD22 ASN B 67 17.754 -9.906 0.986 1.00 0.00 H new ATOM 1713 N ARG B 68 15.569 -5.988 0.358 1.00 0.00 N ATOM 1714 CA ARG B 68 15.424 -5.470 -1.001 1.00 0.00 C ATOM 1715 C ARG B 68 14.855 -4.053 -0.961 1.00 0.00 C ATOM 1716 O ARG B 68 14.779 -3.359 -1.974 1.00 0.00 O ATOM 1717 CB ARG B 68 14.526 -6.398 -1.820 1.00 0.00 C ATOM 1718 CG ARG B 68 14.585 -6.151 -3.320 1.00 0.00 C ATOM 1719 CD ARG B 68 13.833 -7.230 -4.081 1.00 0.00 C ATOM 1720 NE ARG B 68 14.396 -8.556 -3.830 1.00 0.00 N ATOM 1721 CZ ARG B 68 13.689 -9.609 -3.420 1.00 0.00 C ATOM 1722 NH1 ARG B 68 12.374 -9.513 -3.247 1.00 0.00 N ATOM 1723 NH2 ARG B 68 14.300 -10.764 -3.188 1.00 0.00 N ATOM 0 H ARG B 68 14.774 -6.534 0.690 1.00 0.00 H new ATOM 0 HA ARG B 68 16.403 -5.432 -1.479 1.00 0.00 H new ATOM 0 HB2 ARG B 68 14.811 -7.431 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG B 68 13.496 -6.281 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG B 68 14.157 -5.175 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG B 68 15.624 -6.128 -3.647 1.00 0.00 H new ATOM 0 HD2 ARG B 68 12.783 -7.218 -3.788 1.00 0.00 H new ATOM 0 HD3 ARG B 68 13.868 -7.015 -5.149 1.00 0.00 H new ATOM 0 HE ARG B 68 15.397 -8.684 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG B 68 11.899 -8.629 -3.428 1.00 0.00 H new ATOM 0 HH12 ARG B 68 11.840 -10.324 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG B 68 15.308 -10.844 -3.323 1.00 0.00 H new ATOM 0 HH22 ARG B 68 13.762 -11.572 -2.874 1.00 0.00 H new ATOM 1737 N TRP B 69 14.477 -3.645 0.236 1.00 0.00 N ATOM 1738 CA TRP B 69 13.962 -2.311 0.512 1.00 0.00 C ATOM 1739 C TRP B 69 15.005 -1.261 0.144 1.00 0.00 C ATOM 1740 O TRP B 69 14.703 -0.261 -0.503 1.00 0.00 O ATOM 1741 CB TRP B 69 13.633 -2.253 2.003 1.00 0.00 C ATOM 1742 CG TRP B 69 12.744 -1.137 2.443 1.00 0.00 C ATOM 1743 CD1 TRP B 69 11.763 -0.522 1.728 1.00 0.00 C ATOM 1744 CD2 TRP B 69 12.731 -0.541 3.741 1.00 0.00 C ATOM 1745 NE1 TRP B 69 11.149 0.434 2.502 1.00 0.00 N ATOM 1746 CE2 TRP B 69 11.725 0.438 3.744 1.00 0.00 C ATOM 1747 CE3 TRP B 69 13.482 -0.739 4.899 1.00 0.00 C ATOM 1748 CZ2 TRP B 69 11.447 1.213 4.867 1.00 0.00 C ATOM 1749 CZ3 TRP B 69 13.205 0.028 6.012 1.00 0.00 C ATOM 1750 CH2 TRP B 69 12.194 0.993 5.989 1.00 0.00 C ATOM 0 H TRP B 69 14.519 -4.242 1.062 1.00 0.00 H new ATOM 0 HA TRP B 69 13.070 -2.105 -0.079 1.00 0.00 H new ATOM 0 HB2 TRP B 69 13.164 -3.195 2.287 1.00 0.00 H new ATOM 0 HB3 TRP B 69 14.569 -2.183 2.557 1.00 0.00 H new ATOM 0 HD1 TRP B 69 11.505 -0.751 0.705 1.00 0.00 H new ATOM 0 HE1 TRP B 69 10.388 1.042 2.200 1.00 0.00 H new ATOM 0 HE3 TRP B 69 14.267 -1.480 4.924 1.00 0.00 H new ATOM 0 HZ2 TRP B 69 10.668 1.961 4.851 1.00 0.00 H new ATOM 0 HZ3 TRP B 69 13.778 -0.120 6.915 1.00 0.00 H new ATOM 0 HH2 TRP B 69 12.000 1.577 6.877 1.00 0.00 H new ATOM 1761 N GLY B 70 16.245 -1.522 0.537 1.00 0.00 N ATOM 1762 CA GLY B 70 17.332 -0.619 0.219 1.00 0.00 C ATOM 1763 C GLY B 70 17.845 -0.813 -1.195 1.00 0.00 C ATOM 1764 O GLY B 70 18.617 0.003 -1.700 1.00 0.00 O ATOM 0 H GLY B 70 16.517 -2.346 1.072 1.00 0.00 H new ATOM 0 HA2 GLY B 70 16.995 0.410 0.343 1.00 0.00 H new ATOM 0 HA3 GLY B 70 18.149 -0.774 0.924 1.00 0.00 H new ATOM 1768 N SER B 71 17.406 -1.889 -1.840 1.00 0.00 N ATOM 1769 CA SER B 71 17.808 -2.176 -3.211 1.00 0.00 C ATOM 1770 C SER B 71 17.180 -1.161 -4.158 1.00 0.00 C ATOM 1771 O SER B 71 17.606 -1.011 -5.303 1.00 0.00 O ATOM 1772 CB SER B 71 17.403 -3.600 -3.604 1.00 0.00 C ATOM 1773 OG SER B 71 17.782 -3.896 -4.939 1.00 0.00 O ATOM 0 H SER B 71 16.771 -2.577 -1.434 1.00 0.00 H new ATOM 0 HA SER B 71 18.893 -2.100 -3.282 1.00 0.00 H new ATOM 0 HB2 SER B 71 17.870 -4.313 -2.925 1.00 0.00 H new ATOM 0 HB3 SER B 71 16.325 -3.716 -3.496 1.00 0.00 H new ATOM 0 HG SER B 71 17.512 -4.812 -5.160 1.00 0.00 H new ATOM 1779 N VAL B 72 16.159 -0.475 -3.670 1.00 0.00 N ATOM 1780 CA VAL B 72 15.546 0.605 -4.413 1.00 0.00 C ATOM 1781 C VAL B 72 16.472 1.816 -4.380 1.00 0.00 C ATOM 1782 O VAL B 72 17.008 2.159 -3.325 1.00 0.00 O ATOM 1783 CB VAL B 72 14.170 0.982 -3.822 1.00 0.00 C ATOM 1784 CG1 VAL B 72 13.411 1.908 -4.761 1.00 0.00 C ATOM 1785 CG2 VAL B 72 13.356 -0.269 -3.517 1.00 0.00 C ATOM 0 H VAL B 72 15.738 -0.651 -2.758 1.00 0.00 H new ATOM 0 HA VAL B 72 15.389 0.278 -5.441 1.00 0.00 H new ATOM 0 HB VAL B 72 14.336 1.516 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL B 72 12.445 2.159 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL B 72 13.987 2.820 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL B 72 13.256 1.409 -5.718 1.00 0.00 H new ATOM 0 HG21 VAL B 72 12.390 0.018 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL B 72 13.202 -0.836 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL B 72 13.893 -0.885 -2.796 1.00 0.00 H new ATOM 1795 N GLY B 73 16.653 2.466 -5.525 1.00 0.00 N ATOM 1796 CA GLY B 73 17.624 3.546 -5.636 1.00 0.00 C ATOM 1797 C GLY B 73 17.205 4.834 -4.940 1.00 0.00 C ATOM 1798 O GLY B 73 17.745 5.894 -5.247 1.00 0.00 O ATOM 0 H GLY B 73 16.142 2.264 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY B 73 18.573 3.211 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY B 73 17.798 3.756 -6.691 1.00 0.00 H new ATOM 1802 N LYS B 74 16.253 4.716 -4.007 1.00 0.00 N ATOM 1803 CA LYS B 74 15.712 5.816 -3.182 1.00 0.00 C ATOM 1804 C LYS B 74 15.036 6.930 -3.999 1.00 0.00 C ATOM 1805 O LYS B 74 13.949 7.373 -3.637 1.00 0.00 O ATOM 1806 CB LYS B 74 16.749 6.374 -2.179 1.00 0.00 C ATOM 1807 CG LYS B 74 17.826 7.280 -2.753 1.00 0.00 C ATOM 1808 CD LYS B 74 18.824 7.689 -1.680 1.00 0.00 C ATOM 1809 CE LYS B 74 19.676 6.514 -1.215 1.00 0.00 C ATOM 1810 NZ LYS B 74 20.555 5.996 -2.297 1.00 0.00 N ATOM 0 H LYS B 74 15.818 3.819 -3.793 1.00 0.00 H new ATOM 0 HA LYS B 74 14.915 5.361 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS B 74 16.214 6.927 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS B 74 17.237 5.532 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS B 74 18.346 6.766 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS B 74 17.366 8.169 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS B 74 19.472 8.475 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS B 74 18.289 8.108 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS B 74 20.289 6.824 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS B 74 19.026 5.713 -0.862 1.00 0.00 H new ATOM 0 HZ1 LYS B 74 21.266 5.355 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 74 19.981 5.479 -2.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 74 21.034 6.791 -2.766 1.00 0.00 H new ATOM 1824 N LYS B 75 15.642 7.372 -5.095 1.00 0.00 N ATOM 1825 CA LYS B 75 15.001 8.358 -5.959 1.00 0.00 C ATOM 1826 C LYS B 75 13.786 7.731 -6.633 1.00 0.00 C ATOM 1827 O LYS B 75 12.719 8.344 -6.718 1.00 0.00 O ATOM 1828 CB LYS B 75 15.980 8.895 -7.010 1.00 0.00 C ATOM 1829 CG LYS B 75 15.346 9.879 -7.988 1.00 0.00 C ATOM 1830 CD LYS B 75 14.818 11.120 -7.279 1.00 0.00 C ATOM 1831 CE LYS B 75 13.979 11.986 -8.209 1.00 0.00 C ATOM 1832 NZ LYS B 75 14.755 12.473 -9.379 1.00 0.00 N ATOM 0 H LYS B 75 16.565 7.068 -5.404 1.00 0.00 H new ATOM 0 HA LYS B 75 14.680 9.201 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS B 75 16.812 9.384 -6.503 1.00 0.00 H new ATOM 0 HB3 LYS B 75 16.396 8.057 -7.569 1.00 0.00 H new ATOM 0 HG2 LYS B 75 16.082 10.173 -8.736 1.00 0.00 H new ATOM 0 HG3 LYS B 75 14.530 9.389 -8.519 1.00 0.00 H new ATOM 0 HD2 LYS B 75 14.217 10.821 -6.420 1.00 0.00 H new ATOM 0 HD3 LYS B 75 15.655 11.703 -6.895 1.00 0.00 H new ATOM 0 HE2 LYS B 75 13.120 11.413 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS B 75 13.589 12.839 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 14.174 13.138 -9.928 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 15.615 12.955 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 15.019 11.667 -9.980 1.00 0.00 H new ATOM 1846 N GLU B 76 13.958 6.496 -7.095 1.00 0.00 N ATOM 1847 CA GLU B 76 12.854 5.728 -7.649 1.00 0.00 C ATOM 1848 C GLU B 76 11.765 5.568 -6.598 1.00 0.00 C ATOM 1849 O GLU B 76 10.583 5.689 -6.898 1.00 0.00 O ATOM 1850 CB GLU B 76 13.340 4.353 -8.117 1.00 0.00 C ATOM 1851 CG GLU B 76 12.273 3.513 -8.809 1.00 0.00 C ATOM 1852 CD GLU B 76 11.840 4.086 -10.144 1.00 0.00 C ATOM 1853 OE1 GLU B 76 10.622 4.247 -10.367 1.00 0.00 O ATOM 1854 OE2 GLU B 76 12.719 4.373 -10.985 1.00 0.00 O ATOM 0 H GLU B 76 14.853 6.008 -7.095 1.00 0.00 H new ATOM 0 HA GLU B 76 12.449 6.261 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU B 76 14.178 4.490 -8.801 1.00 0.00 H new ATOM 0 HB3 GLU B 76 13.718 3.802 -7.256 1.00 0.00 H new ATOM 0 HG2 GLU B 76 12.655 2.503 -8.960 1.00 0.00 H new ATOM 0 HG3 GLU B 76 11.404 3.431 -8.156 1.00 0.00 H new ATOM 1861 N ALA B 77 12.180 5.334 -5.353 1.00 0.00 N ATOM 1862 CA ALA B 77 11.243 5.168 -4.253 1.00 0.00 C ATOM 1863 C ALA B 77 10.403 6.425 -4.068 1.00 0.00 C ATOM 1864 O ALA B 77 9.204 6.341 -3.828 1.00 0.00 O ATOM 1865 CB ALA B 77 11.983 4.825 -2.970 1.00 0.00 C ATOM 0 H ALA B 77 13.161 5.256 -5.086 1.00 0.00 H new ATOM 0 HA ALA B 77 10.573 4.343 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA B 77 11.266 4.704 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA B 77 12.536 3.896 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA B 77 12.678 5.628 -2.725 1.00 0.00 H new ATOM 1871 N MET B 78 11.039 7.586 -4.205 1.00 0.00 N ATOM 1872 CA MET B 78 10.342 8.864 -4.094 1.00 0.00 C ATOM 1873 C MET B 78 9.243 8.953 -5.144 1.00 0.00 C ATOM 1874 O MET B 78 8.127 9.401 -4.863 1.00 0.00 O ATOM 1875 CB MET B 78 11.320 10.033 -4.267 1.00 0.00 C ATOM 1876 CG MET B 78 12.430 10.068 -3.228 1.00 0.00 C ATOM 1877 SD MET B 78 13.594 11.425 -3.487 1.00 0.00 S ATOM 1878 CE MET B 78 12.527 12.839 -3.213 1.00 0.00 C ATOM 0 H MET B 78 12.038 7.668 -4.393 1.00 0.00 H new ATOM 0 HA MET B 78 9.897 8.926 -3.101 1.00 0.00 H new ATOM 0 HB2 MET B 78 11.767 9.976 -5.260 1.00 0.00 H new ATOM 0 HB3 MET B 78 10.763 10.969 -4.221 1.00 0.00 H new ATOM 0 HG2 MET B 78 11.989 10.159 -2.235 1.00 0.00 H new ATOM 0 HG3 MET B 78 12.972 9.122 -3.250 1.00 0.00 H new ATOM 0 HE1 MET B 78 13.136 13.722 -3.020 1.00 0.00 H new ATOM 0 HE2 MET B 78 11.913 13.008 -4.097 1.00 0.00 H new ATOM 0 HE3 MET B 78 11.883 12.648 -2.355 1.00 0.00 H new ATOM 1888 N GLU B 79 9.566 8.507 -6.354 1.00 0.00 N ATOM 1889 CA GLU B 79 8.603 8.487 -7.444 1.00 0.00 C ATOM 1890 C GLU B 79 7.497 7.474 -7.169 1.00 0.00 C ATOM 1891 O GLU B 79 6.317 7.763 -7.373 1.00 0.00 O ATOM 1892 CB GLU B 79 9.293 8.164 -8.769 1.00 0.00 C ATOM 1893 CG GLU B 79 10.339 9.182 -9.175 1.00 0.00 C ATOM 1894 CD GLU B 79 10.633 9.146 -10.659 1.00 0.00 C ATOM 1895 OE1 GLU B 79 9.903 9.819 -11.424 1.00 0.00 O ATOM 1896 OE2 GLU B 79 11.580 8.446 -11.072 1.00 0.00 O ATOM 0 H GLU B 79 10.490 8.154 -6.602 1.00 0.00 H new ATOM 0 HA GLU B 79 8.156 9.479 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU B 79 9.763 7.183 -8.694 1.00 0.00 H new ATOM 0 HB3 GLU B 79 8.540 8.097 -9.554 1.00 0.00 H new ATOM 0 HG2 GLU B 79 9.998 10.180 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.259 8.995 -8.620 1.00 0.00 H new ATOM 1903 N ILE B 80 7.888 6.295 -6.693 1.00 0.00 N ATOM 1904 CA ILE B 80 6.938 5.242 -6.349 1.00 0.00 C ATOM 1905 C ILE B 80 5.962 5.725 -5.283 1.00 0.00 C ATOM 1906 O ILE B 80 4.756 5.535 -5.403 1.00 0.00 O ATOM 1907 CB ILE B 80 7.654 3.976 -5.829 1.00 0.00 C ATOM 1908 CG1 ILE B 80 8.630 3.444 -6.878 1.00 0.00 C ATOM 1909 CG2 ILE B 80 6.638 2.901 -5.461 1.00 0.00 C ATOM 1910 CD1 ILE B 80 9.540 2.350 -6.360 1.00 0.00 C ATOM 0 H ILE B 80 8.864 6.044 -6.536 1.00 0.00 H new ATOM 0 HA ILE B 80 6.397 4.992 -7.262 1.00 0.00 H new ATOM 0 HB ILE B 80 8.217 4.243 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.064 3.062 -7.728 1.00 0.00 H new ATOM 0 HG13 ILE B 80 9.240 4.269 -7.246 1.00 0.00 H new ATOM 0 HG21 ILE B 80 7.160 2.016 -5.097 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.976 3.278 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE B 80 6.051 2.639 -6.341 1.00 0.00 H new ATOM 0 HD11 ILE B 80 10.205 2.021 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE B 80 10.133 2.733 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE B 80 8.938 1.508 -6.019 1.00 0.00 H new ATOM 1922 N ILE B 81 6.498 6.358 -4.248 1.00 0.00 N ATOM 1923 CA ILE B 81 5.685 6.873 -3.156 1.00 0.00 C ATOM 1924 C ILE B 81 4.708 7.938 -3.652 1.00 0.00 C ATOM 1925 O ILE B 81 3.549 7.967 -3.234 1.00 0.00 O ATOM 1926 CB ILE B 81 6.569 7.449 -2.025 1.00 0.00 C ATOM 1927 CG1 ILE B 81 7.427 6.341 -1.402 1.00 0.00 C ATOM 1928 CG2 ILE B 81 5.725 8.133 -0.961 1.00 0.00 C ATOM 1929 CD1 ILE B 81 6.632 5.183 -0.834 1.00 0.00 C ATOM 0 H ILE B 81 7.498 6.527 -4.142 1.00 0.00 H new ATOM 0 HA ILE B 81 5.112 6.037 -2.755 1.00 0.00 H new ATOM 0 HB ILE B 81 7.229 8.199 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE B 81 8.113 5.960 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE B 81 8.037 6.772 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE B 81 6.374 8.528 -0.180 1.00 0.00 H new ATOM 0 HG22 ILE B 81 5.163 8.950 -1.413 1.00 0.00 H new ATOM 0 HG23 ILE B 81 5.032 7.412 -0.527 1.00 0.00 H new ATOM 0 HD11 ILE B 81 7.315 4.445 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE B 81 5.966 5.548 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE B 81 6.043 4.722 -1.627 1.00 0.00 H new ATOM 1941 N LYS B 82 5.168 8.798 -4.558 1.00 0.00 N ATOM 1942 CA LYS B 82 4.302 9.826 -5.130 1.00 0.00 C ATOM 1943 C LYS B 82 3.175 9.175 -5.929 1.00 0.00 C ATOM 1944 O LYS B 82 2.015 9.592 -5.848 1.00 0.00 O ATOM 1945 CB LYS B 82 5.104 10.787 -6.016 1.00 0.00 C ATOM 1946 CG LYS B 82 4.272 11.942 -6.555 1.00 0.00 C ATOM 1947 CD LYS B 82 5.115 12.996 -7.265 1.00 0.00 C ATOM 1948 CE LYS B 82 5.754 12.470 -8.544 1.00 0.00 C ATOM 1949 NZ LYS B 82 7.057 11.796 -8.293 1.00 0.00 N ATOM 0 H LYS B 82 6.126 8.804 -4.909 1.00 0.00 H new ATOM 0 HA LYS B 82 3.868 10.405 -4.315 1.00 0.00 H new ATOM 0 HB2 LYS B 82 5.940 11.187 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS B 82 5.528 10.231 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS B 82 3.525 11.554 -7.247 1.00 0.00 H new ATOM 0 HG3 LYS B 82 3.731 12.410 -5.732 1.00 0.00 H new ATOM 0 HD2 LYS B 82 4.490 13.857 -7.503 1.00 0.00 H new ATOM 0 HD3 LYS B 82 5.896 13.346 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS B 82 5.072 11.769 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS B 82 5.904 13.297 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 82 7.821 12.336 -8.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 82 7.230 11.746 -7.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 82 7.032 10.834 -8.687 1.00 0.00 H new ATOM 1963 N LYS B 83 3.529 8.140 -6.686 1.00 0.00 N ATOM 1964 CA LYS B 83 2.553 7.349 -7.427 1.00 0.00 C ATOM 1965 C LYS B 83 1.574 6.679 -6.474 1.00 0.00 C ATOM 1966 O LYS B 83 0.361 6.725 -6.679 1.00 0.00 O ATOM 1967 CB LYS B 83 3.259 6.281 -8.266 1.00 0.00 C ATOM 1968 CG LYS B 83 3.984 6.828 -9.485 1.00 0.00 C ATOM 1969 CD LYS B 83 4.840 5.762 -10.157 1.00 0.00 C ATOM 1970 CE LYS B 83 4.020 4.560 -10.608 1.00 0.00 C ATOM 1971 NZ LYS B 83 3.001 4.919 -11.630 1.00 0.00 N ATOM 0 H LYS B 83 4.493 7.828 -6.802 1.00 0.00 H new ATOM 0 HA LYS B 83 2.004 8.020 -8.088 1.00 0.00 H new ATOM 0 HB2 LYS B 83 3.976 5.755 -7.636 1.00 0.00 H new ATOM 0 HB3 LYS B 83 2.523 5.547 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS B 83 3.256 7.213 -10.199 1.00 0.00 H new ATOM 0 HG3 LYS B 83 4.614 7.667 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS B 83 5.347 6.197 -11.018 1.00 0.00 H new ATOM 0 HD3 LYS B 83 5.614 5.431 -9.465 1.00 0.00 H new ATOM 0 HE2 LYS B 83 4.687 3.801 -11.016 1.00 0.00 H new ATOM 0 HE3 LYS B 83 3.524 4.118 -9.744 1.00 0.00 H new ATOM 0 HZ1 LYS B 83 2.516 4.058 -11.954 1.00 0.00 H new ATOM 0 HZ2 LYS B 83 2.307 5.572 -11.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 83 3.467 5.379 -12.438 1.00 0.00 H new ATOM 1985 N PHE B 84 2.125 6.071 -5.432 1.00 0.00 N ATOM 1986 CA PHE B 84 1.349 5.353 -4.431 1.00 0.00 C ATOM 1987 C PHE B 84 0.295 6.263 -3.807 1.00 0.00 C ATOM 1988 O PHE B 84 -0.886 5.921 -3.764 1.00 0.00 O ATOM 1989 CB PHE B 84 2.288 4.821 -3.346 1.00 0.00 C ATOM 1990 CG PHE B 84 1.932 3.451 -2.843 1.00 0.00 C ATOM 1991 CD1 PHE B 84 0.817 3.253 -2.048 1.00 0.00 C ATOM 1992 CD2 PHE B 84 2.727 2.361 -3.161 1.00 0.00 C ATOM 1993 CE1 PHE B 84 0.499 1.994 -1.581 1.00 0.00 C ATOM 1994 CE2 PHE B 84 2.414 1.100 -2.698 1.00 0.00 C ATOM 1995 CZ PHE B 84 1.298 0.915 -1.906 1.00 0.00 C ATOM 0 H PHE B 84 3.130 6.062 -5.257 1.00 0.00 H new ATOM 0 HA PHE B 84 0.837 4.520 -4.914 1.00 0.00 H new ATOM 0 HB2 PHE B 84 3.304 4.799 -3.739 1.00 0.00 H new ATOM 0 HB3 PHE B 84 2.286 5.516 -2.506 1.00 0.00 H new ATOM 0 HD1 PHE B 84 0.189 4.093 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE B 84 3.602 2.501 -3.779 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -0.374 1.852 -0.962 1.00 0.00 H new ATOM 0 HE2 PHE B 84 3.041 0.259 -2.954 1.00 0.00 H new ATOM 0 HZ PHE B 84 1.050 -0.071 -1.542 1.00 0.00 H new ATOM 2005 N LYS B 85 0.728 7.432 -3.341 1.00 0.00 N ATOM 2006 CA LYS B 85 -0.174 8.385 -2.704 1.00 0.00 C ATOM 2007 C LYS B 85 -1.260 8.848 -3.670 1.00 0.00 C ATOM 2008 O LYS B 85 -2.409 9.050 -3.271 1.00 0.00 O ATOM 2009 CB LYS B 85 0.596 9.595 -2.174 1.00 0.00 C ATOM 2010 CG LYS B 85 1.596 9.262 -1.080 1.00 0.00 C ATOM 2011 CD LYS B 85 2.231 10.521 -0.519 1.00 0.00 C ATOM 2012 CE LYS B 85 3.267 10.203 0.546 1.00 0.00 C ATOM 2013 NZ LYS B 85 3.940 11.429 1.045 1.00 0.00 N ATOM 0 H LYS B 85 1.699 7.741 -3.393 1.00 0.00 H new ATOM 0 HA LYS B 85 -0.649 7.874 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS B 85 1.124 10.068 -3.002 1.00 0.00 H new ATOM 0 HB3 LYS B 85 -0.116 10.326 -1.791 1.00 0.00 H new ATOM 0 HG2 LYS B 85 1.096 8.716 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS B 85 2.371 8.607 -1.478 1.00 0.00 H new ATOM 0 HD2 LYS B 85 2.700 11.082 -1.327 1.00 0.00 H new ATOM 0 HD3 LYS B 85 1.457 11.160 -0.094 1.00 0.00 H new ATOM 0 HE2 LYS B 85 2.787 9.688 1.378 1.00 0.00 H new ATOM 0 HE3 LYS B 85 4.012 9.521 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 4.939 11.220 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 3.881 12.176 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 3.472 11.752 1.916 1.00 0.00 H new ATOM 2027 N LYS B 86 -0.893 9.007 -4.937 1.00 0.00 N ATOM 2028 CA LYS B 86 -1.843 9.422 -5.962 1.00 0.00 C ATOM 2029 C LYS B 86 -2.935 8.376 -6.127 1.00 0.00 C ATOM 2030 O LYS B 86 -4.126 8.695 -6.130 1.00 0.00 O ATOM 2031 CB LYS B 86 -1.134 9.637 -7.301 1.00 0.00 C ATOM 2032 CG LYS B 86 -2.073 10.075 -8.416 1.00 0.00 C ATOM 2033 CD LYS B 86 -1.375 10.156 -9.767 1.00 0.00 C ATOM 2034 CE LYS B 86 -1.214 8.790 -10.428 1.00 0.00 C ATOM 2035 NZ LYS B 86 -0.270 7.899 -9.699 1.00 0.00 N ATOM 0 H LYS B 86 0.056 8.855 -5.279 1.00 0.00 H new ATOM 0 HA LYS B 86 -2.292 10.363 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS B 86 -0.355 10.389 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS B 86 -0.639 8.711 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS B 86 -2.905 9.374 -8.482 1.00 0.00 H new ATOM 0 HG3 LYS B 86 -2.495 11.049 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS B 86 -1.945 10.810 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS B 86 -0.393 10.611 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS B 86 -2.188 8.305 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS B 86 -0.860 8.926 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 86 0.264 7.326 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 86 0.390 8.476 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 86 -0.804 7.272 -9.064 1.00 0.00 H new ATOM 2049 N ASP B 87 -2.518 7.125 -6.253 1.00 0.00 N ATOM 2050 CA ASP B 87 -3.449 6.019 -6.421 1.00 0.00 C ATOM 2051 C ASP B 87 -4.325 5.866 -5.188 1.00 0.00 C ATOM 2052 O ASP B 87 -5.516 5.578 -5.297 1.00 0.00 O ATOM 2053 CB ASP B 87 -2.695 4.717 -6.708 1.00 0.00 C ATOM 2054 CG ASP B 87 -2.181 4.645 -8.134 1.00 0.00 C ATOM 2055 OD1 ASP B 87 -1.557 5.623 -8.606 1.00 0.00 O ATOM 2056 OD2 ASP B 87 -2.393 3.607 -8.796 1.00 0.00 O ATOM 0 H ASP B 87 -1.536 6.850 -6.242 1.00 0.00 H new ATOM 0 HA ASP B 87 -4.091 6.239 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP B 87 -1.856 4.627 -6.018 1.00 0.00 H new ATOM 0 HB3 ASP B 87 -3.355 3.870 -6.520 1.00 0.00 H new ATOM 2061 N LEU B 88 -3.733 6.075 -4.017 1.00 0.00 N ATOM 2062 CA LEU B 88 -4.479 6.036 -2.765 1.00 0.00 C ATOM 2063 C LEU B 88 -5.573 7.096 -2.763 1.00 0.00 C ATOM 2064 O LEU B 88 -6.715 6.824 -2.394 1.00 0.00 O ATOM 2065 CB LEU B 88 -3.546 6.261 -1.574 1.00 0.00 C ATOM 2066 CG LEU B 88 -2.526 5.152 -1.310 1.00 0.00 C ATOM 2067 CD1 LEU B 88 -1.630 5.535 -0.146 1.00 0.00 C ATOM 2068 CD2 LEU B 88 -3.225 3.830 -1.029 1.00 0.00 C ATOM 0 H LEU B 88 -2.738 6.273 -3.909 1.00 0.00 H new ATOM 0 HA LEU B 88 -4.936 5.051 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU B 88 -3.007 7.195 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU B 88 -4.155 6.390 -0.679 1.00 0.00 H new ATOM 0 HG LEU B 88 -1.912 5.028 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU B 88 -0.907 4.739 0.034 1.00 0.00 H new ATOM 0 HD12 LEU B 88 -1.101 6.458 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU B 88 -2.237 5.683 0.747 1.00 0.00 H new ATOM 0 HD21 LEU B 88 -2.480 3.056 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU B 88 -3.864 3.935 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU B 88 -3.833 3.550 -1.889 1.00 0.00 H new ATOM 2080 N ALA B 89 -5.212 8.299 -3.191 1.00 0.00 N ATOM 2081 CA ALA B 89 -6.152 9.408 -3.262 1.00 0.00 C ATOM 2082 C ALA B 89 -7.285 9.098 -4.233 1.00 0.00 C ATOM 2083 O ALA B 89 -8.456 9.344 -3.937 1.00 0.00 O ATOM 2084 CB ALA B 89 -5.429 10.679 -3.680 1.00 0.00 C ATOM 0 H ALA B 89 -4.267 8.532 -3.496 1.00 0.00 H new ATOM 0 HA ALA B 89 -6.585 9.557 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA B 89 -6.141 11.503 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA B 89 -4.654 10.913 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA B 89 -4.973 10.533 -4.659 1.00 0.00 H new ATOM 2090 N ALA B 90 -6.925 8.548 -5.386 1.00 0.00 N ATOM 2091 CA ALA B 90 -7.896 8.197 -6.413 1.00 0.00 C ATOM 2092 C ALA B 90 -8.850 7.115 -5.921 1.00 0.00 C ATOM 2093 O ALA B 90 -10.069 7.234 -6.067 1.00 0.00 O ATOM 2094 CB ALA B 90 -7.182 7.735 -7.675 1.00 0.00 C ATOM 0 H ALA B 90 -5.959 8.334 -5.634 1.00 0.00 H new ATOM 0 HA ALA B 90 -8.483 9.086 -6.642 1.00 0.00 H new ATOM 0 HB1 ALA B 90 -7.919 7.475 -8.435 1.00 0.00 H new ATOM 0 HB2 ALA B 90 -6.544 8.537 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA B 90 -6.571 6.861 -7.448 1.00 0.00 H new ATOM 2100 N MET B 91 -8.290 6.072 -5.321 1.00 0.00 N ATOM 2101 CA MET B 91 -9.084 4.952 -4.829 1.00 0.00 C ATOM 2102 C MET B 91 -9.983 5.381 -3.675 1.00 0.00 C ATOM 2103 O MET B 91 -11.099 4.885 -3.532 1.00 0.00 O ATOM 2104 CB MET B 91 -8.175 3.792 -4.413 1.00 0.00 C ATOM 2105 CG MET B 91 -7.471 3.133 -5.592 1.00 0.00 C ATOM 2106 SD MET B 91 -6.478 1.701 -5.124 1.00 0.00 S ATOM 2107 CE MET B 91 -5.284 2.448 -4.016 1.00 0.00 C ATOM 0 H MET B 91 -7.287 5.978 -5.163 1.00 0.00 H new ATOM 0 HA MET B 91 -9.727 4.610 -5.640 1.00 0.00 H new ATOM 0 HB2 MET B 91 -7.427 4.158 -3.709 1.00 0.00 H new ATOM 0 HB3 MET B 91 -8.768 3.044 -3.887 1.00 0.00 H new ATOM 0 HG2 MET B 91 -8.217 2.825 -6.325 1.00 0.00 H new ATOM 0 HG3 MET B 91 -6.829 3.867 -6.079 1.00 0.00 H new ATOM 0 HE1 MET B 91 -4.529 1.711 -3.744 1.00 0.00 H new ATOM 0 HE2 MET B 91 -4.805 3.292 -4.513 1.00 0.00 H new ATOM 0 HE3 MET B 91 -5.791 2.796 -3.116 1.00 0.00 H new ATOM 2117 N LEU B 92 -9.497 6.316 -2.867 1.00 0.00 N ATOM 2118 CA LEU B 92 -10.293 6.898 -1.791 1.00 0.00 C ATOM 2119 C LEU B 92 -11.531 7.588 -2.357 1.00 0.00 C ATOM 2120 O LEU B 92 -12.652 7.412 -1.862 1.00 0.00 O ATOM 2121 CB LEU B 92 -9.450 7.905 -1.008 1.00 0.00 C ATOM 2122 CG LEU B 92 -10.188 8.663 0.096 1.00 0.00 C ATOM 2123 CD1 LEU B 92 -10.772 7.698 1.112 1.00 0.00 C ATOM 2124 CD2 LEU B 92 -9.252 9.649 0.775 1.00 0.00 C ATOM 0 H LEU B 92 -8.550 6.689 -2.937 1.00 0.00 H new ATOM 0 HA LEU B 92 -10.613 6.099 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU B 92 -8.607 7.378 -0.562 1.00 0.00 H new ATOM 0 HB3 LEU B 92 -9.037 8.630 -1.709 1.00 0.00 H new ATOM 0 HG LEU B 92 -11.009 9.218 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU B 92 -11.293 8.258 1.889 1.00 0.00 H new ATOM 0 HD12 LEU B 92 -11.474 7.028 0.616 1.00 0.00 H new ATOM 0 HD13 LEU B 92 -9.969 7.114 1.562 1.00 0.00 H new ATOM 0 HD21 LEU B 92 -9.791 10.182 1.559 1.00 0.00 H new ATOM 0 HD22 LEU B 92 -8.412 9.110 1.214 1.00 0.00 H new ATOM 0 HD23 LEU B 92 -8.881 10.363 0.040 1.00 0.00 H new ATOM 2136 N ARG B 93 -11.318 8.363 -3.411 1.00 0.00 N ATOM 2137 CA ARG B 93 -12.401 9.071 -4.071 1.00 0.00 C ATOM 2138 C ARG B 93 -13.423 8.087 -4.623 1.00 0.00 C ATOM 2139 O ARG B 93 -14.613 8.381 -4.656 1.00 0.00 O ATOM 2140 CB ARG B 93 -11.854 9.960 -5.188 1.00 0.00 C ATOM 2141 CG ARG B 93 -10.962 11.077 -4.679 1.00 0.00 C ATOM 2142 CD ARG B 93 -10.355 11.867 -5.821 1.00 0.00 C ATOM 2143 NE ARG B 93 -9.426 12.889 -5.345 1.00 0.00 N ATOM 2144 CZ ARG B 93 -8.487 13.452 -6.104 1.00 0.00 C ATOM 2145 NH1 ARG B 93 -8.349 13.089 -7.374 1.00 0.00 N ATOM 2146 NH2 ARG B 93 -7.687 14.375 -5.590 1.00 0.00 N ATOM 0 H ARG B 93 -10.400 8.517 -3.828 1.00 0.00 H new ATOM 0 HA ARG B 93 -12.897 9.706 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG B 93 -11.291 9.345 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG B 93 -12.688 10.393 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG B 93 -11.541 11.744 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG B 93 -10.167 10.657 -4.063 1.00 0.00 H new ATOM 0 HD2 ARG B 93 -9.833 11.188 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG B 93 -11.150 12.340 -6.398 1.00 0.00 H new ATOM 0 HE ARG B 93 -9.501 13.190 -4.373 1.00 0.00 H new ATOM 0 HH11 ARG B 93 -8.963 12.377 -7.771 1.00 0.00 H new ATOM 0 HH12 ARG B 93 -7.629 13.522 -7.953 1.00 0.00 H new ATOM 0 HH21 ARG B 93 -7.791 14.654 -4.614 1.00 0.00 H new ATOM 0 HH22 ARG B 93 -6.968 14.807 -6.170 1.00 0.00 H new ATOM 2160 N ILE B 94 -12.956 6.913 -5.036 1.00 0.00 N ATOM 2161 CA ILE B 94 -13.846 5.873 -5.533 1.00 0.00 C ATOM 2162 C ILE B 94 -14.713 5.309 -4.403 1.00 0.00 C ATOM 2163 O ILE B 94 -15.885 4.995 -4.615 1.00 0.00 O ATOM 2164 CB ILE B 94 -13.066 4.730 -6.213 1.00 0.00 C ATOM 2165 CG1 ILE B 94 -12.180 5.287 -7.330 1.00 0.00 C ATOM 2166 CG2 ILE B 94 -14.032 3.694 -6.773 1.00 0.00 C ATOM 2167 CD1 ILE B 94 -11.290 4.251 -7.980 1.00 0.00 C ATOM 0 H ILE B 94 -11.968 6.660 -5.036 1.00 0.00 H new ATOM 0 HA ILE B 94 -14.491 6.336 -6.280 1.00 0.00 H new ATOM 0 HB ILE B 94 -12.430 4.249 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -12.815 5.737 -8.093 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -11.557 6.083 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -13.469 2.892 -7.251 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -14.634 3.282 -5.963 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -14.686 4.165 -7.507 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -10.693 4.722 -8.761 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -10.629 3.817 -7.230 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -11.906 3.466 -8.418 1.00 0.00 H new ATOM 2179 N ILE B 95 -14.144 5.198 -3.201 1.00 0.00 N ATOM 2180 CA ILE B 95 -14.911 4.760 -2.033 1.00 0.00 C ATOM 2181 C ILE B 95 -16.110 5.675 -1.838 1.00 0.00 C ATOM 2182 O ILE B 95 -17.247 5.224 -1.680 1.00 0.00 O ATOM 2183 CB ILE B 95 -14.079 4.777 -0.729 1.00 0.00 C ATOM 2184 CG1 ILE B 95 -12.790 3.983 -0.894 1.00 0.00 C ATOM 2185 CG2 ILE B 95 -14.900 4.187 0.408 1.00 0.00 C ATOM 2186 CD1 ILE B 95 -13.023 2.497 -0.975 1.00 0.00 C ATOM 0 H ILE B 95 -13.163 5.403 -3.011 1.00 0.00 H new ATOM 0 HA ILE B 95 -15.219 3.733 -2.229 1.00 0.00 H new ATOM 0 HB ILE B 95 -13.819 5.811 -0.500 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -12.278 4.315 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.128 4.197 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -14.312 4.200 1.326 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -15.805 4.778 0.548 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.172 3.160 0.166 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.068 1.985 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -13.509 2.155 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.661 2.275 -1.830 1.00 0.00 H new ATOM 2198 N ASN B 96 -15.847 6.971 -1.875 1.00 0.00 N ATOM 2199 CA ASN B 96 -16.893 7.963 -1.675 1.00 0.00 C ATOM 2200 C ASN B 96 -17.763 8.104 -2.921 1.00 0.00 C ATOM 2201 O ASN B 96 -18.904 8.556 -2.843 1.00 0.00 O ATOM 2202 CB ASN B 96 -16.270 9.311 -1.286 1.00 0.00 C ATOM 2203 CG ASN B 96 -17.300 10.403 -1.049 1.00 0.00 C ATOM 2204 OD1 ASN B 96 -17.839 10.537 0.049 1.00 0.00 O ATOM 2205 ND2 ASN B 96 -17.565 11.206 -2.070 1.00 0.00 N ATOM 0 H ASN B 96 -14.919 7.361 -2.041 1.00 0.00 H new ATOM 0 HA ASN B 96 -17.537 7.628 -0.862 1.00 0.00 H new ATOM 0 HB2 ASN B 96 -15.674 9.181 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN B 96 -15.588 9.629 -2.074 1.00 0.00 H new ATOM 0 HD21 ASN B 96 -18.236 11.966 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN B 96 -17.098 11.063 -2.966 1.00 0.00 H new ATOM 2212 N ALA B 97 -17.230 7.696 -4.061 1.00 0.00 N ATOM 2213 CA ALA B 97 -17.965 7.759 -5.315 1.00 0.00 C ATOM 2214 C ALA B 97 -19.081 6.733 -5.346 1.00 0.00 C ATOM 2215 O ALA B 97 -20.195 7.018 -5.787 1.00 0.00 O ATOM 2216 CB ALA B 97 -17.036 7.512 -6.484 1.00 0.00 C ATOM 0 H ALA B 97 -16.287 7.316 -4.144 1.00 0.00 H new ATOM 0 HA ALA B 97 -18.398 8.756 -5.393 1.00 0.00 H new ATOM 0 HB1 ALA B 97 -17.601 7.562 -7.415 1.00 0.00 H new ATOM 0 HB2 ALA B 97 -16.253 8.270 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA B 97 -16.584 6.525 -6.387 1.00 0.00 H new ATOM 2222 N ARG B 98 -18.781 5.536 -4.863 1.00 0.00 N ATOM 2223 CA ARG B 98 -19.718 4.430 -4.977 1.00 0.00 C ATOM 2224 C ARG B 98 -20.847 4.579 -3.969 1.00 0.00 C ATOM 2225 O ARG B 98 -21.994 4.232 -4.254 1.00 0.00 O ATOM 2226 CB ARG B 98 -19.006 3.071 -4.839 1.00 0.00 C ATOM 2227 CG ARG B 98 -18.061 2.966 -3.649 1.00 0.00 C ATOM 2228 CD ARG B 98 -17.207 1.703 -3.714 1.00 0.00 C ATOM 2229 NE ARG B 98 -17.970 0.496 -3.398 1.00 0.00 N ATOM 2230 CZ ARG B 98 -17.544 -0.750 -3.610 1.00 0.00 C ATOM 2231 NH1 ARG B 98 -16.397 -0.979 -4.241 1.00 0.00 N ATOM 2232 NH2 ARG B 98 -18.286 -1.771 -3.199 1.00 0.00 N ATOM 0 H ARG B 98 -17.905 5.308 -4.393 1.00 0.00 H new ATOM 0 HA ARG B 98 -20.156 4.458 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG B 98 -19.760 2.288 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG B 98 -18.442 2.877 -5.752 1.00 0.00 H new ATOM 0 HG2 ARG B 98 -17.413 3.842 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG B 98 -18.639 2.967 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG B 98 -16.779 1.608 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG B 98 -16.374 1.795 -3.018 1.00 0.00 H new ATOM 0 HE ARG B 98 -18.895 0.616 -2.986 1.00 0.00 H new ATOM 0 HH11 ARG B 98 -15.831 -0.197 -4.570 1.00 0.00 H new ATOM 0 HH12 ARG B 98 -16.083 -1.937 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG B 98 -19.173 -1.599 -2.726 1.00 0.00 H new ATOM 0 HH22 ARG B 98 -17.969 -2.728 -3.356 1.00 0.00 H new