USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 TYR OH : rot -98:sc= 1.19 USER MOD Set 1.2: B 97 LYS NZ :NH3+ -157:sc= 1.22 (180deg=-0.178) USER MOD Single : A 5 SER OG : rot -24:sc= 0.266 USER MOD Single : A 7 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.2) USER MOD Single : B 34 TYR OH : rot -33:sc= 0.183 USER MOD Single : B 37 LYS NZ :NH3+ 136:sc= 1.32 (180deg=0.629) USER MOD Single : B 38 MET CE :methyl -128:sc= -0.122 (180deg=-1.95!) USER MOD Single : B 39 LYS NZ :NH3+ 169:sc=-0.00217 (180deg=-0.113) USER MOD Single : B 42 LYS NZ :NH3+ -167:sc= -0.0245 (180deg=-0.205) USER MOD Single : B 46 TYR OH : rot -144:sc= 1.02 USER MOD Single : B 47 LYS NZ :NH3+ -167:sc= 2.23 (180deg=1.35) USER MOD Single : B 54 ASN : amide:sc= -2.92! K(o=-2.9!,f=-0.12) USER MOD Single : B 55 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.23) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -23:sc= 0.549 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.161 USER MOD Single : B 69 ASN : amide:sc= -1.54 K(o=-1.5,f=-0.17) USER MOD Single : B 73 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3.3!) USER MOD Single : B 76 TYR OH : rot 70:sc= 0.682 USER MOD Single : B 78 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.7!) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -3.47! C(o=-3.5!,f=-2!) USER MOD Single : B 100 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.6!) USER MOD Single : B 103 LYS NZ :NH3+ -166:sc= 1.03 (180deg=0.474) USER MOD Single : B 106 THR OG1 : rot 60:sc= 0.535 USER MOD Single : B 108 TYR OH : rot 30:sc= -0.149 USER MOD Single : B 110 TYR OH : rot -155:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 59 N SER A 5 8.358 13.875 -7.284 1.00 0.00 N ATOM 60 CA SER A 5 7.358 12.861 -7.000 1.00 0.00 C ATOM 61 C SER A 5 7.326 11.840 -8.131 1.00 0.00 C ATOM 62 O SER A 5 7.221 12.206 -9.303 1.00 0.00 O ATOM 63 CB SER A 5 5.987 13.515 -6.827 1.00 0.00 C ATOM 64 OG SER A 5 5.730 14.438 -7.875 1.00 0.00 O ATOM 0 HA SER A 5 7.616 12.348 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.213 12.748 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.943 14.028 -5.866 1.00 0.00 H new ATOM 0 HG SER A 5 6.579 14.753 -8.249 1.00 0.00 H new ATOM 70 N VAL A 6 7.427 10.570 -7.782 1.00 0.00 N ATOM 71 CA VAL A 6 7.479 9.507 -8.775 1.00 0.00 C ATOM 72 C VAL A 6 6.356 8.509 -8.554 1.00 0.00 C ATOM 73 O VAL A 6 6.027 8.180 -7.420 1.00 0.00 O ATOM 74 CB VAL A 6 8.833 8.766 -8.742 1.00 0.00 C ATOM 75 CG1 VAL A 6 9.952 9.683 -9.205 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.121 8.232 -7.347 1.00 0.00 C ATOM 0 H VAL A 6 7.475 10.247 -6.816 1.00 0.00 H new ATOM 0 HA VAL A 6 7.362 9.975 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 6 8.776 7.919 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.899 9.145 -9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.754 10.013 -10.225 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.007 10.551 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.080 7.714 -7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.157 9.061 -6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.333 7.538 -7.053 1.00 0.00 H new ATOM 86 N GLN A 7 5.767 8.026 -9.633 1.00 0.00 N ATOM 87 CA GLN A 7 4.669 7.081 -9.520 1.00 0.00 C ATOM 88 C GLN A 7 5.219 5.664 -9.458 1.00 0.00 C ATOM 89 O GLN A 7 6.160 5.323 -10.175 1.00 0.00 O ATOM 90 CB GLN A 7 3.665 7.229 -10.676 1.00 0.00 C ATOM 91 CG GLN A 7 4.136 6.680 -12.019 1.00 0.00 C ATOM 92 CD GLN A 7 5.304 7.442 -12.608 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.121 8.408 -13.345 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.511 7.001 -12.302 1.00 0.00 N ATOM 0 H GLN A 7 6.027 8.269 -10.589 1.00 0.00 H new ATOM 0 HA GLN A 7 4.127 7.297 -8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.740 6.724 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.427 8.286 -10.797 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.420 5.635 -11.896 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.305 6.704 -12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.619 6.195 -11.686 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.335 7.466 -12.682 1.00 0.00 H new ATOM 103 N ILE A 8 4.659 4.846 -8.591 1.00 0.00 N ATOM 104 CA ILE A 8 5.170 3.502 -8.407 1.00 0.00 C ATOM 105 C ILE A 8 4.206 2.494 -9.015 1.00 0.00 C ATOM 106 O ILE A 8 3.034 2.451 -8.640 1.00 0.00 O ATOM 107 CB ILE A 8 5.388 3.166 -6.917 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.934 4.379 -6.152 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.341 1.986 -6.780 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.267 4.881 -6.662 1.00 0.00 C ATOM 0 H ILE A 8 3.857 5.084 -8.007 1.00 0.00 H new ATOM 0 HA ILE A 8 6.136 3.448 -8.909 1.00 0.00 H new ATOM 0 HB ILE A 8 4.424 2.898 -6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.207 5.189 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.036 4.116 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.488 1.757 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.919 1.117 -7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.300 2.238 -7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.584 5.739 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 8 8.010 4.088 -6.579 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.169 5.178 -7.706 1.00 0.00 H new ATOM 122 N PRO A 9 4.677 1.696 -9.980 1.00 0.00 N ATOM 123 CA PRO A 9 3.843 0.701 -10.654 1.00 0.00 C ATOM 124 C PRO A 9 3.435 -0.442 -9.728 1.00 0.00 C ATOM 125 O PRO A 9 4.269 -1.026 -9.034 1.00 0.00 O ATOM 126 CB PRO A 9 4.735 0.185 -11.786 1.00 0.00 C ATOM 127 CG PRO A 9 6.127 0.448 -11.326 1.00 0.00 C ATOM 128 CD PRO A 9 6.059 1.701 -10.497 1.00 0.00 C ATOM 0 HA PRO A 9 2.904 1.131 -11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.572 -0.878 -11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.524 0.702 -12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.509 -0.388 -10.740 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.800 0.577 -12.173 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.790 1.688 -9.689 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.261 2.590 -11.095 1.00 0.00 H new ATOM 136 N VAL A 10 2.148 -0.752 -9.714 1.00 0.00 N ATOM 137 CA VAL A 10 1.635 -1.832 -8.885 1.00 0.00 C ATOM 138 C VAL A 10 1.663 -3.149 -9.643 1.00 0.00 C ATOM 139 O VAL A 10 1.229 -3.221 -10.793 1.00 0.00 O ATOM 140 CB VAL A 10 0.187 -1.571 -8.427 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.278 -2.659 -7.472 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.062 -0.207 -7.783 1.00 0.00 C ATOM 0 H VAL A 10 1.439 -0.271 -10.268 1.00 0.00 H new ATOM 0 HA VAL A 10 2.281 -1.883 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.455 -1.590 -9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.303 -2.456 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.236 -3.626 -7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.371 -2.676 -6.596 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.969 -0.046 -7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.719 -0.153 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.346 0.562 -8.501 1.00 0.00 H new ATOM 152 N VAL A 11 2.185 -4.181 -9.005 1.00 0.00 N ATOM 153 CA VAL A 11 2.129 -5.517 -9.563 1.00 0.00 C ATOM 154 C VAL A 11 0.958 -6.268 -8.950 1.00 0.00 C ATOM 155 O VAL A 11 0.957 -6.563 -7.755 1.00 0.00 O ATOM 156 CB VAL A 11 3.428 -6.303 -9.304 1.00 0.00 C ATOM 157 CG1 VAL A 11 3.367 -7.672 -9.964 1.00 0.00 C ATOM 158 CG2 VAL A 11 4.634 -5.520 -9.795 1.00 0.00 C ATOM 0 H VAL A 11 2.652 -4.118 -8.100 1.00 0.00 H new ATOM 0 HA VAL A 11 2.003 -5.424 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 11 3.532 -6.449 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.294 -8.211 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.527 -8.235 -9.557 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.236 -7.552 -11.039 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.542 -6.092 -9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.539 -5.339 -10.866 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.688 -4.567 -9.269 1.00 0.00 H new ATOM 168 N GLU A 12 -0.054 -6.539 -9.752 1.00 0.00 N ATOM 169 CA GLU A 12 -1.231 -7.232 -9.263 1.00 0.00 C ATOM 170 C GLU A 12 -1.100 -8.727 -9.471 1.00 0.00 C ATOM 171 O GLU A 12 -1.170 -9.232 -10.593 1.00 0.00 O ATOM 172 CB GLU A 12 -2.492 -6.697 -9.930 1.00 0.00 C ATOM 173 CG GLU A 12 -2.702 -5.220 -9.665 1.00 0.00 C ATOM 174 CD GLU A 12 -4.089 -4.751 -10.026 1.00 0.00 C ATOM 175 OE1 GLU A 12 -5.011 -4.960 -9.210 1.00 0.00 O ATOM 176 OE2 GLU A 12 -4.266 -4.171 -11.115 1.00 0.00 O ATOM 0 H GLU A 12 -0.085 -6.291 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.313 -7.047 -8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.431 -6.866 -11.005 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.356 -7.255 -9.569 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.518 -5.015 -8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.970 -4.646 -10.234 1.00 0.00 H new ATOM 183 N VAL A 13 -0.884 -9.418 -8.371 1.00 0.00 N ATOM 184 CA VAL A 13 -0.683 -10.857 -8.376 1.00 0.00 C ATOM 185 C VAL A 13 -1.489 -11.507 -7.259 1.00 0.00 C ATOM 186 O VAL A 13 -2.274 -10.843 -6.581 1.00 0.00 O ATOM 187 CB VAL A 13 0.811 -11.205 -8.205 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.572 -10.958 -9.498 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.420 -10.395 -7.067 1.00 0.00 C ATOM 0 H VAL A 13 -0.842 -8.998 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.024 -11.241 -9.338 1.00 0.00 H new ATOM 0 HB VAL A 13 0.889 -12.264 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.623 -11.210 -9.355 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.154 -11.579 -10.290 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.485 -9.908 -9.776 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.474 -10.653 -6.960 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.327 -9.331 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.895 -10.621 -6.139 1.00 0.00 H new ATOM 199 N ASP A 14 -1.304 -12.807 -7.079 1.00 0.00 N ATOM 200 CA ASP A 14 -1.997 -13.541 -6.028 1.00 0.00 C ATOM 201 C ASP A 14 -1.045 -13.866 -4.887 1.00 0.00 C ATOM 202 O ASP A 14 -1.464 -14.332 -3.828 1.00 0.00 O ATOM 203 CB ASP A 14 -2.604 -14.833 -6.572 1.00 0.00 C ATOM 204 CG ASP A 14 -3.733 -14.590 -7.552 1.00 0.00 C ATOM 205 OD1 ASP A 14 -4.848 -14.244 -7.114 1.00 0.00 O ATOM 206 OD2 ASP A 14 -3.516 -14.762 -8.768 1.00 0.00 O ATOM 0 H ASP A 14 -0.678 -13.377 -7.648 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.801 -12.907 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.824 -15.416 -7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.975 -15.432 -5.740 1.00 0.00 H new ATOM 211 N GLU A 15 0.238 -13.632 -5.120 1.00 0.00 N ATOM 212 CA GLU A 15 1.267 -13.865 -4.116 1.00 0.00 C ATOM 213 C GLU A 15 2.557 -13.174 -4.534 1.00 0.00 C ATOM 214 O GLU A 15 2.767 -12.908 -5.718 1.00 0.00 O ATOM 215 CB GLU A 15 1.511 -15.363 -3.938 1.00 0.00 C ATOM 216 CG GLU A 15 1.990 -16.049 -5.205 1.00 0.00 C ATOM 217 CD GLU A 15 2.120 -17.546 -5.044 1.00 0.00 C ATOM 218 OE1 GLU A 15 3.174 -18.005 -4.560 1.00 0.00 O ATOM 219 OE2 GLU A 15 1.167 -18.273 -5.406 1.00 0.00 O ATOM 0 H GLU A 15 0.595 -13.276 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 15 0.929 -13.454 -3.165 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.250 -15.513 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.588 -15.837 -3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.293 -15.834 -6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.955 -15.634 -5.496 1.00 0.00 H new ATOM 226 N LEU A 16 3.409 -12.871 -3.566 1.00 0.00 N ATOM 227 CA LEU A 16 4.661 -12.194 -3.846 1.00 0.00 C ATOM 228 C LEU A 16 5.736 -13.194 -4.247 1.00 0.00 C ATOM 229 O LEU A 16 5.649 -14.378 -3.916 1.00 0.00 O ATOM 230 CB LEU A 16 5.151 -11.403 -2.627 1.00 0.00 C ATOM 231 CG LEU A 16 4.168 -10.402 -2.014 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.262 -9.798 -3.068 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.363 -11.053 -0.912 1.00 0.00 C ATOM 0 H LEU A 16 3.254 -13.084 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 16 4.476 -11.503 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.438 -12.115 -1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.053 -10.862 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 16 4.747 -9.588 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.577 -9.092 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.866 -9.278 -3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.691 -10.589 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.670 -10.325 -0.489 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.802 -11.894 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.036 -11.410 -0.132 1.00 0.00 H new ATOM 245 N PRO A 17 6.746 -12.720 -4.984 1.00 0.00 N ATOM 246 CA PRO A 17 7.940 -13.506 -5.323 1.00 0.00 C ATOM 247 C PRO A 17 8.650 -14.080 -4.097 1.00 0.00 C ATOM 248 O PRO A 17 8.353 -13.721 -2.950 1.00 0.00 O ATOM 249 CB PRO A 17 8.851 -12.482 -5.999 1.00 0.00 C ATOM 250 CG PRO A 17 7.928 -11.456 -6.551 1.00 0.00 C ATOM 251 CD PRO A 17 6.785 -11.377 -5.581 1.00 0.00 C ATOM 0 HA PRO A 17 7.682 -14.369 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.549 -12.043 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.447 -12.942 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.427 -10.492 -6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.580 -11.736 -7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.951 -10.608 -4.827 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.849 -11.134 -6.083 1.00 0.00 H new ATOM 259 N GLU A 18 9.614 -14.954 -4.351 1.00 0.00 N ATOM 260 CA GLU A 18 10.389 -15.565 -3.284 1.00 0.00 C ATOM 261 C GLU A 18 11.200 -14.506 -2.542 1.00 0.00 C ATOM 262 O GLU A 18 11.699 -13.552 -3.145 1.00 0.00 O ATOM 263 CB GLU A 18 11.320 -16.646 -3.840 1.00 0.00 C ATOM 264 CG GLU A 18 12.312 -16.129 -4.870 1.00 0.00 C ATOM 265 CD GLU A 18 13.333 -17.172 -5.265 1.00 0.00 C ATOM 266 OE1 GLU A 18 14.291 -17.389 -4.497 1.00 0.00 O ATOM 267 OE2 GLU A 18 13.189 -17.774 -6.347 1.00 0.00 O ATOM 0 H GLU A 18 9.877 -15.255 -5.289 1.00 0.00 H new ATOM 0 HA GLU A 18 9.695 -16.032 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.870 -17.099 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.718 -17.434 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.771 -15.800 -5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.826 -15.256 -4.468 1.00 0.00 H new ATOM 274 N GLY A 19 11.305 -14.662 -1.233 1.00 0.00 N ATOM 275 CA GLY A 19 12.061 -13.723 -0.432 1.00 0.00 C ATOM 276 C GLY A 19 11.177 -12.667 0.201 1.00 0.00 C ATOM 277 O GLY A 19 11.628 -11.898 1.051 1.00 0.00 O ATOM 0 H GLY A 19 10.878 -15.425 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.595 -14.263 0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.812 -13.239 -1.056 1.00 0.00 H new ATOM 281 N TYR A 20 9.915 -12.626 -0.214 1.00 0.00 N ATOM 282 CA TYR A 20 8.963 -11.677 0.347 1.00 0.00 C ATOM 283 C TYR A 20 8.277 -12.247 1.583 1.00 0.00 C ATOM 284 O TYR A 20 8.047 -13.454 1.680 1.00 0.00 O ATOM 285 CB TYR A 20 7.919 -11.287 -0.695 1.00 0.00 C ATOM 286 CG TYR A 20 8.404 -10.264 -1.695 1.00 0.00 C ATOM 287 CD1 TYR A 20 8.311 -8.908 -1.413 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.946 -10.643 -2.917 1.00 0.00 C ATOM 289 CE1 TYR A 20 8.743 -7.959 -2.315 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.380 -9.698 -3.824 1.00 0.00 C ATOM 291 CZ TYR A 20 9.277 -8.359 -3.522 1.00 0.00 C ATOM 292 OH TYR A 20 9.709 -7.422 -4.431 1.00 0.00 O ATOM 0 H TYR A 20 9.530 -13.237 -0.934 1.00 0.00 H new ATOM 0 HA TYR A 20 9.518 -10.787 0.644 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.602 -12.182 -1.230 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.040 -10.893 -0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.892 -8.590 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.029 -11.692 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.664 -6.908 -2.078 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.800 -10.008 -4.769 1.00 0.00 H new ATOM 0 HH TYR A 20 9.010 -7.270 -5.101 1.00 0.00 H new ATOM 302 N ASP A 21 7.957 -11.370 2.524 1.00 0.00 N ATOM 303 CA ASP A 21 7.320 -11.771 3.773 1.00 0.00 C ATOM 304 C ASP A 21 5.826 -11.478 3.726 1.00 0.00 C ATOM 305 O ASP A 21 5.394 -10.330 3.881 1.00 0.00 O ATOM 306 CB ASP A 21 7.965 -11.051 4.958 1.00 0.00 C ATOM 307 CG ASP A 21 7.372 -11.480 6.282 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.674 -12.603 6.738 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.600 -10.698 6.875 1.00 0.00 O ATOM 0 H ASP A 21 8.129 -10.368 2.446 1.00 0.00 H new ATOM 0 HA ASP A 21 7.460 -12.844 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.037 -11.249 4.961 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.840 -9.975 4.838 1.00 0.00 H new ATOM 314 N ARG A 22 5.041 -12.521 3.516 1.00 0.00 N ATOM 315 CA ARG A 22 3.614 -12.371 3.288 1.00 0.00 C ATOM 316 C ARG A 22 2.794 -12.768 4.511 1.00 0.00 C ATOM 317 O ARG A 22 3.138 -13.701 5.237 1.00 0.00 O ATOM 318 CB ARG A 22 3.193 -13.200 2.072 1.00 0.00 C ATOM 319 CG ARG A 22 1.688 -13.282 1.877 1.00 0.00 C ATOM 320 CD ARG A 22 1.330 -13.583 0.436 1.00 0.00 C ATOM 321 NE ARG A 22 -0.087 -13.892 0.284 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.565 -14.998 -0.290 1.00 0.00 C ATOM 323 NH1 ARG A 22 0.259 -15.922 -0.773 1.00 0.00 N ATOM 324 NH2 ARG A 22 -1.875 -15.189 -0.362 1.00 0.00 N ATOM 0 H ARG A 22 5.370 -13.486 3.499 1.00 0.00 H new ATOM 0 HA ARG A 22 3.417 -11.316 3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.643 -12.770 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.592 -14.209 2.176 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.278 -14.057 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.229 -12.340 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.584 -12.727 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.926 -14.424 0.081 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.761 -13.215 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.268 -15.790 -0.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.118 -16.763 -1.210 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.514 -14.492 0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.244 -16.033 -0.800 1.00 0.00 H new ATOM 491 N GLU B 33 -13.164 0.419 3.079 1.00 0.00 N ATOM 492 CA GLU B 33 -12.553 0.393 4.390 1.00 0.00 C ATOM 493 C GLU B 33 -11.268 -0.416 4.342 1.00 0.00 C ATOM 494 O GLU B 33 -11.281 -1.644 4.415 1.00 0.00 O ATOM 495 CB GLU B 33 -13.516 -0.191 5.426 1.00 0.00 C ATOM 496 CG GLU B 33 -12.956 -0.173 6.837 1.00 0.00 C ATOM 497 CD GLU B 33 -13.955 -0.637 7.876 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.861 0.145 8.224 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.834 -1.782 8.356 1.00 0.00 O ATOM 0 HA GLU B 33 -12.318 1.415 4.687 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.449 0.373 5.405 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.758 -1.218 5.151 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -12.073 -0.811 6.880 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.631 0.839 7.080 1.00 0.00 H new ATOM 506 N TYR B 34 -10.167 0.281 4.164 1.00 0.00 N ATOM 507 CA TYR B 34 -8.860 -0.344 4.169 1.00 0.00 C ATOM 508 C TYR B 34 -8.346 -0.492 5.590 1.00 0.00 C ATOM 509 O TYR B 34 -8.736 0.258 6.485 1.00 0.00 O ATOM 510 CB TYR B 34 -7.855 0.479 3.367 1.00 0.00 C ATOM 511 CG TYR B 34 -8.140 0.556 1.884 1.00 0.00 C ATOM 512 CD1 TYR B 34 -7.914 -0.536 1.056 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.618 1.727 1.309 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.160 -0.466 -0.301 1.00 0.00 C ATOM 515 CE2 TYR B 34 -8.867 1.804 -0.048 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.636 0.706 -0.848 1.00 0.00 C ATOM 517 OH TYR B 34 -8.884 0.781 -2.199 1.00 0.00 O ATOM 0 H TYR B 34 -10.150 1.290 4.013 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.967 -1.327 3.711 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.830 1.491 3.771 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.862 0.054 3.510 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.539 -1.456 1.481 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.798 2.590 1.932 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -7.980 -1.325 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.241 2.721 -0.480 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.242 0.219 -2.681 1.00 0.00 H new ATOM 527 N GLU B 35 -7.477 -1.462 5.786 1.00 0.00 N ATOM 528 CA GLU B 35 -6.779 -1.615 7.042 1.00 0.00 C ATOM 529 C GLU B 35 -5.284 -1.598 6.783 1.00 0.00 C ATOM 530 O GLU B 35 -4.749 -2.487 6.118 1.00 0.00 O ATOM 531 CB GLU B 35 -7.173 -2.911 7.748 1.00 0.00 C ATOM 532 CG GLU B 35 -6.567 -3.028 9.135 1.00 0.00 C ATOM 533 CD GLU B 35 -6.871 -4.346 9.801 1.00 0.00 C ATOM 534 OE1 GLU B 35 -7.973 -4.488 10.370 1.00 0.00 O ATOM 535 OE2 GLU B 35 -6.006 -5.243 9.774 1.00 0.00 O ATOM 0 H GLU B 35 -7.237 -2.161 5.083 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.055 -0.788 7.696 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.259 -2.963 7.825 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.855 -3.761 7.144 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.486 -2.903 9.065 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -6.942 -2.217 9.759 1.00 0.00 H new ATOM 542 N VAL B 36 -4.629 -0.568 7.278 1.00 0.00 N ATOM 543 CA VAL B 36 -3.196 -0.413 7.106 1.00 0.00 C ATOM 544 C VAL B 36 -2.437 -0.959 8.316 1.00 0.00 C ATOM 545 O VAL B 36 -2.783 -0.680 9.466 1.00 0.00 O ATOM 546 CB VAL B 36 -2.824 1.068 6.848 1.00 0.00 C ATOM 547 CG1 VAL B 36 -3.526 1.989 7.836 1.00 0.00 C ATOM 548 CG2 VAL B 36 -1.317 1.273 6.904 1.00 0.00 C ATOM 0 H VAL B 36 -5.071 0.183 7.809 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.901 -0.993 6.231 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.164 1.323 5.844 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -3.247 3.023 7.632 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -4.605 1.878 7.733 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -3.229 1.727 8.852 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.085 2.322 6.719 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -0.947 0.988 7.889 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.837 0.656 6.144 1.00 0.00 H new ATOM 558 N LYS B 37 -1.425 -1.772 8.042 1.00 0.00 N ATOM 559 CA LYS B 37 -0.578 -2.341 9.076 1.00 0.00 C ATOM 560 C LYS B 37 0.866 -2.009 8.755 1.00 0.00 C ATOM 561 O LYS B 37 1.254 -1.995 7.589 1.00 0.00 O ATOM 562 CB LYS B 37 -0.748 -3.867 9.169 1.00 0.00 C ATOM 563 CG LYS B 37 -2.179 -4.331 9.415 1.00 0.00 C ATOM 564 CD LYS B 37 -2.987 -4.407 8.127 1.00 0.00 C ATOM 565 CE LYS B 37 -3.221 -5.845 7.687 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.032 -6.604 8.676 1.00 0.00 N ATOM 0 H LYS B 37 -1.170 -2.054 7.096 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.866 -1.916 10.037 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.388 -4.317 8.244 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.115 -4.242 9.973 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.165 -5.311 9.892 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.667 -3.646 10.109 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -3.947 -3.911 8.271 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.464 -3.867 7.338 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.727 -5.851 6.722 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.261 -6.342 7.547 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.753 -7.164 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.413 -7.240 9.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.498 -5.939 9.326 1.00 0.00 H new ATOM 580 N MET B 38 1.657 -1.736 9.775 1.00 0.00 N ATOM 581 CA MET B 38 3.035 -1.326 9.565 1.00 0.00 C ATOM 582 C MET B 38 3.987 -2.244 10.318 1.00 0.00 C ATOM 583 O MET B 38 3.699 -2.656 11.443 1.00 0.00 O ATOM 584 CB MET B 38 3.216 0.117 10.009 1.00 0.00 C ATOM 585 CG MET B 38 4.125 0.897 9.088 1.00 0.00 C ATOM 586 SD MET B 38 3.874 2.674 9.195 1.00 0.00 S ATOM 587 CE MET B 38 4.465 3.146 7.575 1.00 0.00 C ATOM 0 H MET B 38 1.372 -1.790 10.753 1.00 0.00 H new ATOM 0 HA MET B 38 3.268 -1.399 8.503 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.242 0.605 10.052 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.626 0.134 11.019 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.163 0.667 9.330 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.958 0.573 8.061 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.209 3.936 7.675 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.916 2.282 7.086 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.630 3.508 6.974 1.00 0.00 H new ATOM 597 N LYS B 39 5.114 -2.570 9.703 1.00 0.00 N ATOM 598 CA LYS B 39 6.043 -3.520 10.299 1.00 0.00 C ATOM 599 C LYS B 39 7.487 -3.140 9.974 1.00 0.00 C ATOM 600 O LYS B 39 7.809 -2.821 8.830 1.00 0.00 O ATOM 601 CB LYS B 39 5.725 -4.932 9.787 1.00 0.00 C ATOM 602 CG LYS B 39 5.992 -6.038 10.798 1.00 0.00 C ATOM 603 CD LYS B 39 7.474 -6.322 10.955 1.00 0.00 C ATOM 604 CE LYS B 39 7.743 -7.249 12.127 1.00 0.00 C ATOM 605 NZ LYS B 39 6.961 -8.508 12.031 1.00 0.00 N ATOM 0 H LYS B 39 5.406 -2.195 8.800 1.00 0.00 H new ATOM 0 HA LYS B 39 5.930 -3.499 11.383 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.677 -4.971 9.491 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.316 -5.123 8.892 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.573 -5.755 11.764 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.480 -6.948 10.483 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.858 -6.771 10.039 1.00 0.00 H new ATOM 0 HD3 LYS B 39 8.011 -5.385 11.100 1.00 0.00 H new ATOM 0 HE2 LYS B 39 8.806 -7.485 12.166 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.495 -6.738 13.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 7.307 -9.186 12.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 5.956 -8.307 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 7.072 -8.914 11.080 1.00 0.00 H new ATOM 619 N ARG B 40 8.343 -3.167 10.989 1.00 0.00 N ATOM 620 CA ARG B 40 9.755 -2.841 10.821 1.00 0.00 C ATOM 621 C ARG B 40 10.578 -4.102 10.629 1.00 0.00 C ATOM 622 O ARG B 40 10.372 -5.101 11.317 1.00 0.00 O ATOM 623 CB ARG B 40 10.304 -2.072 12.032 1.00 0.00 C ATOM 624 CG ARG B 40 9.875 -0.616 12.104 1.00 0.00 C ATOM 625 CD ARG B 40 8.389 -0.478 12.374 1.00 0.00 C ATOM 626 NE ARG B 40 8.009 -1.024 13.678 1.00 0.00 N ATOM 627 CZ ARG B 40 6.787 -0.925 14.203 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.829 -0.270 13.555 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.530 -1.475 15.385 1.00 0.00 N ATOM 0 H ARG B 40 8.082 -3.413 11.944 1.00 0.00 H new ATOM 0 HA ARG B 40 9.833 -2.210 9.935 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.983 -2.577 12.943 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.393 -2.116 12.010 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.436 -0.111 12.890 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.122 -0.118 11.166 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.110 0.575 12.328 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.830 -0.991 11.591 1.00 0.00 H new ATOM 0 HE ARG B 40 8.724 -1.511 14.219 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.027 0.160 12.651 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.896 -0.197 13.961 1.00 0.00 H new ATOM 0 HH21 ARG B 40 7.266 -1.971 15.888 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.597 -1.401 15.790 1.00 0.00 H new ATOM 643 N PHE B 41 11.510 -4.047 9.698 1.00 0.00 N ATOM 644 CA PHE B 41 12.401 -5.173 9.441 1.00 0.00 C ATOM 645 C PHE B 41 13.848 -4.800 9.715 1.00 0.00 C ATOM 646 O PHE B 41 14.242 -3.639 9.586 1.00 0.00 O ATOM 647 CB PHE B 41 12.262 -5.673 8.001 1.00 0.00 C ATOM 648 CG PHE B 41 11.052 -6.533 7.774 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.779 -5.994 7.816 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.195 -7.886 7.522 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.670 -6.789 7.611 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.090 -8.688 7.315 1.00 0.00 C ATOM 653 CZ PHE B 41 8.826 -8.138 7.361 1.00 0.00 C ATOM 0 H PHE B 41 11.674 -3.235 9.103 1.00 0.00 H new ATOM 0 HA PHE B 41 12.110 -5.975 10.119 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.218 -4.815 7.331 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.154 -6.239 7.735 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.652 -4.939 8.011 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.183 -8.320 7.487 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.681 -6.357 7.646 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.215 -9.742 7.118 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.959 -8.762 7.202 1.00 0.00 H new ATOM 663 N LYS B 42 14.630 -5.795 10.104 1.00 0.00 N ATOM 664 CA LYS B 42 16.047 -5.608 10.362 1.00 0.00 C ATOM 665 C LYS B 42 16.859 -6.590 9.534 1.00 0.00 C ATOM 666 O LYS B 42 16.820 -7.798 9.773 1.00 0.00 O ATOM 667 CB LYS B 42 16.362 -5.806 11.847 1.00 0.00 C ATOM 668 CG LYS B 42 15.674 -4.805 12.760 1.00 0.00 C ATOM 669 CD LYS B 42 16.127 -4.960 14.201 1.00 0.00 C ATOM 670 CE LYS B 42 15.721 -6.305 14.786 1.00 0.00 C ATOM 671 NZ LYS B 42 14.244 -6.483 14.810 1.00 0.00 N ATOM 0 H LYS B 42 14.301 -6.750 10.249 1.00 0.00 H new ATOM 0 HA LYS B 42 16.313 -4.588 10.083 1.00 0.00 H new ATOM 0 HB2 LYS B 42 16.066 -6.813 12.140 1.00 0.00 H new ATOM 0 HB3 LYS B 42 17.440 -5.735 11.993 1.00 0.00 H new ATOM 0 HG2 LYS B 42 15.888 -3.792 12.418 1.00 0.00 H new ATOM 0 HG3 LYS B 42 14.594 -4.940 12.701 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.211 -4.854 14.253 1.00 0.00 H new ATOM 0 HD3 LYS B 42 15.699 -4.159 14.804 1.00 0.00 H new ATOM 0 HE2 LYS B 42 16.173 -7.106 14.200 1.00 0.00 H new ATOM 0 HE3 LYS B 42 16.113 -6.392 15.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 14.002 -7.300 15.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 13.797 -5.627 15.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 13.898 -6.647 13.843 1.00 0.00 H new ATOM 685 N GLY B 43 17.583 -6.069 8.561 1.00 0.00 N ATOM 686 CA GLY B 43 18.392 -6.911 7.703 1.00 0.00 C ATOM 687 C GLY B 43 17.561 -7.704 6.715 1.00 0.00 C ATOM 688 O GLY B 43 17.644 -8.936 6.665 1.00 0.00 O ATOM 0 H GLY B 43 17.627 -5.073 8.347 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.104 -6.291 7.158 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.973 -7.598 8.318 1.00 0.00 H new ATOM 692 N ALA B 44 16.739 -7.007 5.949 1.00 0.00 N ATOM 693 CA ALA B 44 15.968 -7.624 4.887 1.00 0.00 C ATOM 694 C ALA B 44 16.011 -6.743 3.651 1.00 0.00 C ATOM 695 O ALA B 44 16.510 -5.619 3.716 1.00 0.00 O ATOM 696 CB ALA B 44 14.531 -7.855 5.331 1.00 0.00 C ATOM 0 H ALA B 44 16.589 -6.003 6.046 1.00 0.00 H new ATOM 0 HA ALA B 44 16.405 -8.594 4.648 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.970 -8.319 4.520 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.520 -8.511 6.201 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.072 -6.901 5.590 1.00 0.00 H new ATOM 702 N ALA B 45 15.503 -7.241 2.535 1.00 0.00 N ATOM 703 CA ALA B 45 15.446 -6.449 1.312 1.00 0.00 C ATOM 704 C ALA B 45 14.592 -5.207 1.529 1.00 0.00 C ATOM 705 O ALA B 45 14.771 -4.177 0.878 1.00 0.00 O ATOM 706 CB ALA B 45 14.897 -7.287 0.169 1.00 0.00 C ATOM 0 H ALA B 45 15.126 -8.185 2.448 1.00 0.00 H new ATOM 0 HA ALA B 45 16.455 -6.130 1.050 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.859 -6.684 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.544 -8.149 0.006 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.893 -7.630 0.419 1.00 0.00 H new ATOM 712 N TYR B 46 13.694 -5.311 2.491 1.00 0.00 N ATOM 713 CA TYR B 46 12.779 -4.248 2.823 1.00 0.00 C ATOM 714 C TYR B 46 12.917 -3.923 4.298 1.00 0.00 C ATOM 715 O TYR B 46 13.011 -4.819 5.133 1.00 0.00 O ATOM 716 CB TYR B 46 11.344 -4.654 2.473 1.00 0.00 C ATOM 717 CG TYR B 46 11.107 -6.141 2.571 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.911 -6.754 3.800 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.101 -6.934 1.432 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.720 -8.117 3.891 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.905 -8.295 1.513 1.00 0.00 C ATOM 722 CZ TYR B 46 10.718 -8.881 2.746 1.00 0.00 C ATOM 723 OH TYR B 46 10.533 -10.238 2.835 1.00 0.00 O ATOM 0 H TYR B 46 13.583 -6.146 3.066 1.00 0.00 H new ATOM 0 HA TYR B 46 13.017 -3.357 2.242 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.654 -4.138 3.140 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.116 -4.322 1.460 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.908 -6.155 4.699 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.253 -6.476 0.466 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.573 -8.582 4.855 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.898 -8.898 0.617 1.00 0.00 H new ATOM 0 HH TYR B 46 11.081 -10.688 2.159 1.00 0.00 H new ATOM 733 N LYS B 47 12.961 -2.644 4.605 1.00 0.00 N ATOM 734 CA LYS B 47 13.183 -2.186 5.964 1.00 0.00 C ATOM 735 C LYS B 47 11.848 -1.892 6.617 1.00 0.00 C ATOM 736 O LYS B 47 11.713 -1.913 7.842 1.00 0.00 O ATOM 737 CB LYS B 47 14.065 -0.926 5.977 1.00 0.00 C ATOM 738 CG LYS B 47 15.527 -1.167 5.600 1.00 0.00 C ATOM 739 CD LYS B 47 15.689 -1.650 4.164 1.00 0.00 C ATOM 740 CE LYS B 47 15.286 -0.591 3.149 1.00 0.00 C ATOM 741 NZ LYS B 47 15.176 -1.159 1.780 1.00 0.00 N ATOM 0 H LYS B 47 12.845 -1.893 3.924 1.00 0.00 H new ATOM 0 HA LYS B 47 13.699 -2.968 6.521 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.642 -0.195 5.288 1.00 0.00 H new ATOM 0 HB3 LYS B 47 14.029 -0.484 6.972 1.00 0.00 H new ATOM 0 HG2 LYS B 47 16.090 -0.244 5.735 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.957 -1.904 6.278 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.727 -1.936 3.994 1.00 0.00 H new ATOM 0 HD3 LYS B 47 15.083 -2.544 4.013 1.00 0.00 H new ATOM 0 HE2 LYS B 47 14.331 -0.153 3.439 1.00 0.00 H new ATOM 0 HE3 LYS B 47 16.021 0.214 3.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 15.119 -0.386 1.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 16.012 -1.743 1.578 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.320 -1.746 1.715 1.00 0.00 H new ATOM 755 N LEU B 48 10.863 -1.625 5.781 1.00 0.00 N ATOM 756 CA LEU B 48 9.529 -1.314 6.249 1.00 0.00 C ATOM 757 C LEU B 48 8.499 -2.051 5.397 1.00 0.00 C ATOM 758 O LEU B 48 8.560 -2.027 4.167 1.00 0.00 O ATOM 759 CB LEU B 48 9.301 0.202 6.191 1.00 0.00 C ATOM 760 CG LEU B 48 8.505 0.808 7.355 1.00 0.00 C ATOM 761 CD1 LEU B 48 7.095 0.260 7.400 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.201 0.549 8.678 1.00 0.00 C ATOM 0 H LEU B 48 10.965 -1.618 4.766 1.00 0.00 H new ATOM 0 HA LEU B 48 9.419 -1.641 7.283 1.00 0.00 H new ATOM 0 HB2 LEU B 48 10.273 0.694 6.146 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.782 0.436 5.261 1.00 0.00 H new ATOM 0 HG LEU B 48 8.452 1.884 7.189 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.557 0.708 8.235 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.582 0.498 6.468 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.129 -0.822 7.529 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.618 0.988 9.488 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.292 -0.525 8.837 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.194 0.998 8.661 1.00 0.00 H new ATOM 774 N ARG B 49 7.577 -2.727 6.059 1.00 0.00 N ATOM 775 CA ARG B 49 6.523 -3.461 5.378 1.00 0.00 C ATOM 776 C ARG B 49 5.163 -2.896 5.770 1.00 0.00 C ATOM 777 O ARG B 49 4.833 -2.833 6.952 1.00 0.00 O ATOM 778 CB ARG B 49 6.588 -4.939 5.752 1.00 0.00 C ATOM 779 CG ARG B 49 5.657 -5.820 4.940 1.00 0.00 C ATOM 780 CD ARG B 49 5.458 -7.172 5.605 1.00 0.00 C ATOM 781 NE ARG B 49 4.700 -7.052 6.852 1.00 0.00 N ATOM 782 CZ ARG B 49 4.039 -8.059 7.422 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.107 -9.277 6.902 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.326 -7.849 8.524 1.00 0.00 N ATOM 0 H ARG B 49 7.537 -2.783 7.077 1.00 0.00 H new ATOM 0 HA ARG B 49 6.661 -3.358 4.302 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.611 -5.292 5.622 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.345 -5.047 6.809 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.693 -5.324 4.823 1.00 0.00 H new ATOM 0 HG3 ARG B 49 6.066 -5.961 3.940 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.933 -7.840 4.922 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.429 -7.624 5.810 1.00 0.00 H new ATOM 0 HE ARG B 49 4.676 -6.142 7.312 1.00 0.00 H new ATOM 0 HH11 ARG B 49 4.666 -9.444 6.065 1.00 0.00 H new ATOM 0 HH12 ARG B 49 3.601 -10.047 7.339 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.284 -6.916 8.934 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.821 -8.621 8.959 1.00 0.00 H new ATOM 798 N ILE B 50 4.386 -2.479 4.785 1.00 0.00 N ATOM 799 CA ILE B 50 3.072 -1.909 5.044 1.00 0.00 C ATOM 800 C ILE B 50 2.008 -2.750 4.348 1.00 0.00 C ATOM 801 O ILE B 50 2.144 -3.086 3.172 1.00 0.00 O ATOM 802 CB ILE B 50 2.946 -0.430 4.573 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.088 0.454 5.096 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.624 0.155 5.043 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.431 0.217 4.441 1.00 0.00 C ATOM 0 H ILE B 50 4.641 -2.524 3.798 1.00 0.00 H new ATOM 0 HA ILE B 50 2.929 -1.916 6.125 1.00 0.00 H new ATOM 0 HB ILE B 50 2.998 -0.442 3.484 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.812 1.499 4.956 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.190 0.292 6.169 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.545 1.190 4.709 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.801 -0.425 4.626 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.577 0.121 6.131 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.172 0.887 4.877 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.737 -0.816 4.603 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.353 0.409 3.371 1.00 0.00 H new ATOM 817 N LEU B 51 0.971 -3.111 5.083 1.00 0.00 N ATOM 818 CA LEU B 51 -0.103 -3.932 4.549 1.00 0.00 C ATOM 819 C LEU B 51 -1.394 -3.140 4.518 1.00 0.00 C ATOM 820 O LEU B 51 -1.856 -2.670 5.549 1.00 0.00 O ATOM 821 CB LEU B 51 -0.296 -5.194 5.401 1.00 0.00 C ATOM 822 CG LEU B 51 0.553 -6.409 5.015 1.00 0.00 C ATOM 823 CD1 LEU B 51 0.157 -6.913 3.643 1.00 0.00 C ATOM 824 CD2 LEU B 51 2.032 -6.075 5.044 1.00 0.00 C ATOM 0 H LEU B 51 0.849 -2.846 6.060 1.00 0.00 H new ATOM 0 HA LEU B 51 0.166 -4.230 3.536 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.081 -4.942 6.439 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.346 -5.481 5.354 1.00 0.00 H new ATOM 0 HG LEU B 51 0.369 -7.195 5.748 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.769 -7.777 3.382 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -0.894 -7.202 3.651 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.311 -6.124 2.907 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.610 -6.956 4.766 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.237 -5.269 4.339 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.314 -5.759 6.048 1.00 0.00 H new ATOM 836 N ILE B 52 -1.959 -2.971 3.339 1.00 0.00 N ATOM 837 CA ILE B 52 -3.219 -2.257 3.206 1.00 0.00 C ATOM 838 C ILE B 52 -4.246 -3.136 2.512 1.00 0.00 C ATOM 839 O ILE B 52 -4.196 -3.317 1.300 1.00 0.00 O ATOM 840 CB ILE B 52 -3.079 -0.938 2.407 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.943 -0.069 2.953 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.388 -0.167 2.435 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.591 -0.384 2.352 1.00 0.00 C ATOM 0 H ILE B 52 -1.570 -3.316 2.461 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.541 -2.007 4.217 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.836 -1.196 1.376 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.178 0.979 2.767 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.888 -0.196 4.034 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.277 0.759 1.870 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.177 -0.773 1.988 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.650 0.067 3.467 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.163 0.272 2.788 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.333 -1.422 2.561 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.627 -0.229 1.274 1.00 0.00 H new ATOM 855 N GLU B 53 -5.173 -3.687 3.274 1.00 0.00 N ATOM 856 CA GLU B 53 -6.185 -4.557 2.696 1.00 0.00 C ATOM 857 C GLU B 53 -7.541 -3.876 2.696 1.00 0.00 C ATOM 858 O GLU B 53 -7.810 -3.002 3.516 1.00 0.00 O ATOM 859 CB GLU B 53 -6.263 -5.888 3.444 1.00 0.00 C ATOM 860 CG GLU B 53 -6.866 -5.783 4.830 1.00 0.00 C ATOM 861 CD GLU B 53 -6.819 -7.099 5.575 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.726 -7.934 5.376 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.866 -7.314 6.354 1.00 0.00 O ATOM 0 H GLU B 53 -5.248 -3.551 4.282 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.896 -4.762 1.665 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.853 -6.590 2.855 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.260 -6.306 3.526 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.330 -5.025 5.401 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.901 -5.450 4.750 1.00 0.00 H new ATOM 870 N ASN B 54 -8.383 -4.281 1.768 1.00 0.00 N ATOM 871 CA ASN B 54 -9.711 -3.704 1.628 1.00 0.00 C ATOM 872 C ASN B 54 -10.734 -4.627 2.264 1.00 0.00 C ATOM 873 O ASN B 54 -10.940 -5.751 1.804 1.00 0.00 O ATOM 874 CB ASN B 54 -10.052 -3.496 0.150 1.00 0.00 C ATOM 875 CG ASN B 54 -11.187 -2.507 -0.087 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.186 -1.784 -1.082 1.00 0.00 O ATOM 877 ND2 ASN B 54 -12.172 -2.472 0.800 1.00 0.00 N ATOM 0 H ASN B 54 -8.172 -5.015 1.092 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.729 -2.736 2.129 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.162 -3.145 -0.372 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.322 -4.456 -0.289 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -12.956 -1.833 0.666 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.146 -3.084 1.616 1.00 0.00 H new ATOM 884 N LYS B 55 -11.361 -4.157 3.327 1.00 0.00 N ATOM 885 CA LYS B 55 -12.367 -4.941 4.017 1.00 0.00 C ATOM 886 C LYS B 55 -13.573 -4.083 4.402 1.00 0.00 C ATOM 887 O LYS B 55 -13.627 -3.494 5.475 1.00 0.00 O ATOM 888 CB LYS B 55 -11.733 -5.615 5.248 1.00 0.00 C ATOM 889 CG LYS B 55 -10.693 -4.755 5.981 1.00 0.00 C ATOM 890 CD LYS B 55 -11.299 -3.904 7.092 1.00 0.00 C ATOM 891 CE LYS B 55 -11.964 -4.753 8.167 1.00 0.00 C ATOM 892 NZ LYS B 55 -12.535 -3.918 9.254 1.00 0.00 N ATOM 0 H LYS B 55 -11.191 -3.236 3.731 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.737 -5.716 3.346 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.525 -5.881 5.949 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.260 -6.545 4.934 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.927 -5.404 6.405 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.197 -4.104 5.262 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -10.519 -3.292 7.545 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -12.033 -3.221 6.665 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -12.754 -5.355 7.718 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.234 -5.446 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -13.008 -4.530 9.949 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -11.772 -3.388 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -13.225 -3.251 8.853 1.00 0.00 H new ATOM 906 N ALA B 56 -14.553 -4.027 3.520 1.00 0.00 N ATOM 907 CA ALA B 56 -15.777 -3.296 3.795 1.00 0.00 C ATOM 908 C ALA B 56 -16.990 -4.088 3.331 1.00 0.00 C ATOM 909 O ALA B 56 -16.888 -4.904 2.414 1.00 0.00 O ATOM 910 CB ALA B 56 -15.739 -1.941 3.113 1.00 0.00 C ATOM 0 H ALA B 56 -14.526 -4.479 2.606 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.858 -3.146 4.872 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.662 -1.401 3.325 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.889 -1.369 3.487 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.639 -2.078 2.036 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.955 1.386 -8.678 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.841 1.708 -7.800 1.00 0.00 C ATOM 1029 C PHE B 64 -3.778 2.483 -8.555 1.00 0.00 C ATOM 1030 O PHE B 64 -3.179 1.971 -9.501 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.241 0.438 -7.192 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.075 -0.135 -6.086 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.943 0.347 -4.796 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.992 -1.143 -6.333 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.710 -0.168 -3.768 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.760 -1.663 -5.309 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.620 -1.175 -4.025 1.00 0.00 C ATOM 0 HA PHE B 64 -5.218 2.331 -6.988 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.122 -0.311 -7.975 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.245 0.661 -6.810 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.233 1.134 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -6.108 -1.526 -7.336 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.598 0.216 -2.765 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.470 -2.451 -5.513 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.220 -1.580 -3.224 1.00 0.00 H new ATOM 1047 N SER B 65 -3.555 3.718 -8.141 1.00 0.00 N ATOM 1048 CA SER B 65 -2.561 4.560 -8.778 1.00 0.00 C ATOM 1049 C SER B 65 -1.737 5.279 -7.712 1.00 0.00 C ATOM 1050 O SER B 65 -1.975 6.451 -7.410 1.00 0.00 O ATOM 1051 CB SER B 65 -3.250 5.567 -9.706 1.00 0.00 C ATOM 1052 OG SER B 65 -2.315 6.231 -10.539 1.00 0.00 O ATOM 0 H SER B 65 -4.050 4.159 -7.366 1.00 0.00 H new ATOM 0 HA SER B 65 -1.890 3.944 -9.377 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.986 5.051 -10.323 1.00 0.00 H new ATOM 0 HB3 SER B 65 -3.793 6.301 -9.110 1.00 0.00 H new ATOM 0 HG SER B 65 -2.786 6.865 -11.119 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.759 4.575 -7.128 1.00 0.00 N ATOM 1059 CA PRO B 66 0.086 5.114 -6.070 1.00 0.00 C ATOM 1060 C PRO B 66 1.316 5.844 -6.598 1.00 0.00 C ATOM 1061 O PRO B 66 1.748 5.635 -7.737 1.00 0.00 O ATOM 1062 CB PRO B 66 0.503 3.855 -5.320 1.00 0.00 C ATOM 1063 CG PRO B 66 0.606 2.817 -6.379 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.419 3.171 -7.428 1.00 0.00 C ATOM 0 HA PRO B 66 -0.434 5.859 -5.468 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.454 3.995 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO B 66 -0.232 3.580 -4.563 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.608 2.798 -6.807 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.415 1.825 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.015 3.064 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.295 2.525 -7.366 1.00 0.00 H new ATOM 1072 N SER B 67 1.890 6.680 -5.752 1.00 0.00 N ATOM 1073 CA SER B 67 3.078 7.434 -6.111 1.00 0.00 C ATOM 1074 C SER B 67 3.779 7.959 -4.867 1.00 0.00 C ATOM 1075 O SER B 67 3.136 8.307 -3.872 1.00 0.00 O ATOM 1076 CB SER B 67 2.735 8.581 -7.070 1.00 0.00 C ATOM 1077 OG SER B 67 1.709 9.407 -6.556 1.00 0.00 O ATOM 0 H SER B 67 1.551 6.855 -4.806 1.00 0.00 H new ATOM 0 HA SER B 67 3.761 6.760 -6.628 1.00 0.00 H new ATOM 0 HB2 SER B 67 3.627 9.181 -7.253 1.00 0.00 H new ATOM 0 HB3 SER B 67 2.424 8.171 -8.031 1.00 0.00 H new ATOM 0 HG SER B 67 1.185 8.906 -5.897 1.00 0.00 H new ATOM 1083 N TYR B 68 5.098 7.986 -4.928 1.00 0.00 N ATOM 1084 CA TYR B 68 5.917 8.407 -3.811 1.00 0.00 C ATOM 1085 C TYR B 68 6.447 9.814 -4.031 1.00 0.00 C ATOM 1086 O TYR B 68 7.162 10.083 -4.999 1.00 0.00 O ATOM 1087 CB TYR B 68 7.083 7.434 -3.622 1.00 0.00 C ATOM 1088 CG TYR B 68 8.090 7.883 -2.589 1.00 0.00 C ATOM 1089 CD1 TYR B 68 7.747 7.967 -1.248 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.379 8.235 -2.963 1.00 0.00 C ATOM 1091 CE1 TYR B 68 8.662 8.386 -0.304 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.299 8.658 -2.023 1.00 0.00 C ATOM 1093 CZ TYR B 68 9.936 8.731 -0.696 1.00 0.00 C ATOM 1094 OH TYR B 68 10.848 9.156 0.244 1.00 0.00 O ATOM 0 H TYR B 68 5.630 7.716 -5.755 1.00 0.00 H new ATOM 0 HA TYR B 68 5.300 8.408 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR B 68 6.688 6.460 -3.332 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.591 7.300 -4.577 1.00 0.00 H new ATOM 0 HD1 TYR B 68 6.748 7.700 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.667 8.178 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.380 8.443 0.737 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.299 8.930 -2.327 1.00 0.00 H new ATOM 0 HH TYR B 68 11.700 9.360 -0.195 1.00 0.00 H new ATOM 1104 N ASN B 69 6.088 10.709 -3.131 1.00 0.00 N ATOM 1105 CA ASN B 69 6.594 12.071 -3.170 1.00 0.00 C ATOM 1106 C ASN B 69 7.721 12.250 -2.163 1.00 0.00 C ATOM 1107 O ASN B 69 7.514 12.145 -0.955 1.00 0.00 O ATOM 1108 CB ASN B 69 5.477 13.091 -2.917 1.00 0.00 C ATOM 1109 CG ASN B 69 4.509 12.677 -1.826 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.499 12.023 -2.085 1.00 0.00 O ATOM 1111 ND2 ASN B 69 4.801 13.071 -0.603 1.00 0.00 N ATOM 0 H ASN B 69 5.446 10.519 -2.361 1.00 0.00 H new ATOM 0 HA ASN B 69 6.988 12.252 -4.170 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.925 14.048 -2.649 1.00 0.00 H new ATOM 0 HB3 ASN B 69 4.923 13.246 -3.843 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.180 12.835 0.171 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.648 13.612 -0.430 1.00 0.00 H new ATOM 1118 N PHE B 70 8.915 12.534 -2.677 1.00 0.00 N ATOM 1119 CA PHE B 70 10.113 12.672 -1.849 1.00 0.00 C ATOM 1120 C PHE B 70 10.012 13.892 -0.949 1.00 0.00 C ATOM 1121 O PHE B 70 10.646 13.954 0.100 1.00 0.00 O ATOM 1122 CB PHE B 70 11.360 12.805 -2.727 1.00 0.00 C ATOM 1123 CG PHE B 70 11.689 11.583 -3.537 1.00 0.00 C ATOM 1124 CD1 PHE B 70 10.952 11.261 -4.663 1.00 0.00 C ATOM 1125 CD2 PHE B 70 12.745 10.763 -3.175 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.260 10.146 -5.414 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.059 9.645 -3.921 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.315 9.337 -5.042 1.00 0.00 C ATOM 0 H PHE B 70 9.080 12.675 -3.674 1.00 0.00 H new ATOM 0 HA PHE B 70 10.193 11.776 -1.233 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.223 13.648 -3.405 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.212 13.043 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.125 11.891 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.330 11.001 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE B 70 10.677 9.906 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE B 70 13.884 9.013 -3.628 1.00 0.00 H new ATOM 0 HZ PHE B 70 12.558 8.463 -5.628 1.00 0.00 H new ATOM 1138 N ALA B 71 9.211 14.860 -1.376 1.00 0.00 N ATOM 1139 CA ALA B 71 9.046 16.107 -0.639 1.00 0.00 C ATOM 1140 C ALA B 71 8.551 15.861 0.782 1.00 0.00 C ATOM 1141 O ALA B 71 9.036 16.474 1.731 1.00 0.00 O ATOM 1142 CB ALA B 71 8.084 17.018 -1.373 1.00 0.00 C ATOM 0 H ALA B 71 8.662 14.805 -2.234 1.00 0.00 H new ATOM 0 HA ALA B 71 10.023 16.586 -0.572 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.966 17.947 -0.816 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.477 17.237 -2.366 1.00 0.00 H new ATOM 0 HB3 ALA B 71 7.116 16.526 -1.466 1.00 0.00 H new ATOM 1148 N GLU B 72 7.585 14.967 0.923 1.00 0.00 N ATOM 1149 CA GLU B 72 7.047 14.642 2.237 1.00 0.00 C ATOM 1150 C GLU B 72 7.413 13.219 2.610 1.00 0.00 C ATOM 1151 O GLU B 72 6.961 12.706 3.628 1.00 0.00 O ATOM 1152 CB GLU B 72 5.527 14.771 2.261 1.00 0.00 C ATOM 1153 CG GLU B 72 4.988 15.939 1.462 1.00 0.00 C ATOM 1154 CD GLU B 72 3.489 16.091 1.617 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.738 15.459 0.846 1.00 0.00 O ATOM 1156 OE2 GLU B 72 3.054 16.833 2.522 1.00 0.00 O ATOM 0 H GLU B 72 7.159 14.456 0.150 1.00 0.00 H new ATOM 0 HA GLU B 72 7.477 15.345 2.951 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.090 13.850 1.876 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.199 14.871 3.296 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.480 16.856 1.784 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.231 15.800 0.409 1.00 0.00 H new ATOM 1163 N ASN B 73 8.215 12.597 1.740 1.00 0.00 N ATOM 1164 CA ASN B 73 8.636 11.193 1.866 1.00 0.00 C ATOM 1165 C ASN B 73 7.440 10.284 2.150 1.00 0.00 C ATOM 1166 O ASN B 73 7.507 9.367 2.973 1.00 0.00 O ATOM 1167 CB ASN B 73 9.755 11.002 2.916 1.00 0.00 C ATOM 1168 CG ASN B 73 9.401 11.511 4.301 1.00 0.00 C ATOM 1169 OD1 ASN B 73 9.718 12.647 4.660 1.00 0.00 O ATOM 1170 ND2 ASN B 73 8.743 10.681 5.086 1.00 0.00 N ATOM 0 H ASN B 73 8.597 13.059 0.915 1.00 0.00 H new ATOM 0 HA ASN B 73 9.061 10.902 0.905 1.00 0.00 H new ATOM 0 HB2 ASN B 73 9.999 9.942 2.982 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.653 11.515 2.571 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.478 10.971 6.027 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.499 9.749 4.752 1.00 0.00 H new ATOM 1177 N ILE B 74 6.348 10.531 1.434 1.00 0.00 N ATOM 1178 CA ILE B 74 5.120 9.779 1.630 1.00 0.00 C ATOM 1179 C ILE B 74 4.714 9.041 0.358 1.00 0.00 C ATOM 1180 O ILE B 74 4.766 9.594 -0.743 1.00 0.00 O ATOM 1181 CB ILE B 74 3.984 10.713 2.103 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.281 11.177 3.531 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.625 10.022 2.029 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.555 12.435 3.934 1.00 0.00 C ATOM 0 H ILE B 74 6.291 11.249 0.712 1.00 0.00 H new ATOM 0 HA ILE B 74 5.303 9.033 2.404 1.00 0.00 H new ATOM 0 HB ILE B 74 3.939 11.577 1.440 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.014 10.379 4.224 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.354 11.341 3.632 1.00 0.00 H new ATOM 0 HG21 ILE B 74 1.849 10.708 2.369 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.423 9.727 0.999 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.632 9.137 2.666 1.00 0.00 H new ATOM 0 HD11 ILE B 74 3.820 12.696 4.959 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.840 13.249 3.267 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.479 12.271 3.868 1.00 0.00 H new ATOM 1196 N LEU B 75 4.341 7.783 0.525 1.00 0.00 N ATOM 1197 CA LEU B 75 3.861 6.956 -0.567 1.00 0.00 C ATOM 1198 C LEU B 75 2.344 6.857 -0.471 1.00 0.00 C ATOM 1199 O LEU B 75 1.810 6.150 0.378 1.00 0.00 O ATOM 1200 CB LEU B 75 4.535 5.568 -0.493 1.00 0.00 C ATOM 1201 CG LEU B 75 4.169 4.541 -1.581 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.905 3.778 -1.215 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.005 5.213 -2.932 1.00 0.00 C ATOM 0 H LEU B 75 4.363 7.306 1.426 1.00 0.00 H new ATOM 0 HA LEU B 75 4.117 7.396 -1.531 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.615 5.716 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.298 5.130 0.477 1.00 0.00 H new ATOM 0 HG LEU B 75 4.991 3.828 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.672 3.061 -2.002 1.00 0.00 H new ATOM 0 HD12 LEU B 75 3.059 3.248 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.077 4.478 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU B 75 3.747 4.465 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.211 5.958 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.939 5.700 -3.212 1.00 0.00 H new ATOM 1215 N TYR B 76 1.648 7.593 -1.316 1.00 0.00 N ATOM 1216 CA TYR B 76 0.201 7.595 -1.274 1.00 0.00 C ATOM 1217 C TYR B 76 -0.332 6.481 -2.167 1.00 0.00 C ATOM 1218 O TYR B 76 0.259 6.169 -3.200 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.337 8.971 -1.693 1.00 0.00 C ATOM 1220 CG TYR B 76 -1.055 8.987 -3.018 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -0.357 9.139 -4.203 1.00 0.00 C ATOM 1222 CD2 TYR B 76 -2.433 8.847 -3.080 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -1.012 9.145 -5.417 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -3.094 8.855 -4.288 1.00 0.00 C ATOM 1225 CZ TYR B 76 -2.382 9.005 -5.454 1.00 0.00 C ATOM 1226 OH TYR B 76 -3.041 9.005 -6.661 1.00 0.00 O ATOM 0 H TYR B 76 2.058 8.192 -2.033 1.00 0.00 H new ATOM 0 HA TYR B 76 -0.142 7.407 -0.257 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -1.018 9.331 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.495 9.674 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR B 76 0.716 9.255 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR B 76 -2.997 8.730 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -0.453 9.259 -6.334 1.00 0.00 H new ATOM 0 HE2 TYR B 76 -4.168 8.744 -4.319 1.00 0.00 H new ATOM 0 HH TYR B 76 -2.830 8.182 -7.149 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.434 5.872 -1.750 1.00 0.00 N ATOM 1237 CA ILE B 77 -2.010 4.757 -2.487 1.00 0.00 C ATOM 1238 C ILE B 77 -3.159 5.224 -3.369 1.00 0.00 C ATOM 1239 O ILE B 77 -3.147 5.033 -4.582 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.522 3.657 -1.530 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.362 3.044 -0.736 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.273 2.586 -2.304 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.323 2.354 -1.599 1.00 0.00 C ATOM 0 H ILE B 77 -1.946 6.131 -0.907 1.00 0.00 H new ATOM 0 HA ILE B 77 -1.219 4.343 -3.113 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.212 4.113 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.876 3.829 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.763 2.324 -0.023 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.627 1.819 -1.615 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -4.125 3.036 -2.814 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.607 2.134 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.464 1.947 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.793 1.545 -2.158 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.108 3.074 -2.295 1.00 0.00 H new ATOM 1255 N ASN B 78 -4.148 5.836 -2.741 1.00 0.00 N ATOM 1256 CA ASN B 78 -5.321 6.338 -3.442 1.00 0.00 C ATOM 1257 C ASN B 78 -5.819 7.591 -2.747 1.00 0.00 C ATOM 1258 O ASN B 78 -5.263 7.994 -1.726 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.437 5.282 -3.484 1.00 0.00 C ATOM 1260 CG ASN B 78 -6.421 4.443 -4.751 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.989 4.897 -5.811 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.916 3.217 -4.658 1.00 0.00 N ATOM 0 H ASN B 78 -4.163 5.999 -1.734 1.00 0.00 H new ATOM 0 HA ASN B 78 -5.041 6.570 -4.470 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.339 4.625 -2.620 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -7.403 5.780 -3.398 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.948 2.616 -5.482 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -7.265 2.874 -3.763 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.878 8.189 -3.275 1.00 0.00 N ATOM 1270 CA GLY B 79 -7.434 9.386 -2.671 1.00 0.00 C ATOM 1271 C GLY B 79 -8.136 9.095 -1.358 1.00 0.00 C ATOM 1272 O GLY B 79 -8.739 9.980 -0.755 1.00 0.00 O ATOM 0 H GLY B 79 -7.364 7.867 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -6.636 10.109 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -8.139 9.846 -3.363 1.00 0.00 H new ATOM 1276 N LYS B 80 -8.054 7.847 -0.919 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.672 7.425 0.323 1.00 0.00 C ATOM 1278 C LYS B 80 -7.660 7.514 1.454 1.00 0.00 C ATOM 1279 O LYS B 80 -7.958 8.022 2.534 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.178 5.986 0.201 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.987 5.719 -1.059 1.00 0.00 C ATOM 1282 CD LYS B 80 -11.273 6.535 -1.094 1.00 0.00 C ATOM 1283 CE LYS B 80 -12.150 6.150 -2.279 1.00 0.00 C ATOM 1284 NZ LYS B 80 -13.417 6.932 -2.322 1.00 0.00 N ATOM 0 H LYS B 80 -7.559 7.104 -1.413 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.516 8.080 0.536 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.324 5.309 0.223 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.792 5.753 1.071 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -9.383 5.956 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -10.229 4.658 -1.117 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -11.826 6.383 -0.167 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.030 7.596 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.596 6.308 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -12.384 5.087 -2.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -13.980 6.635 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -13.960 6.762 -1.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -13.197 7.945 -2.400 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.451 7.029 1.192 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.408 7.004 2.206 1.00 0.00 C ATOM 1300 C LEU B 81 -4.008 7.081 1.604 1.00 0.00 C ATOM 1301 O LEU B 81 -3.776 6.692 0.453 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.539 5.770 3.116 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.854 4.429 2.437 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.763 4.023 1.461 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.032 3.354 3.491 1.00 0.00 C ATOM 0 H LEU B 81 -6.171 6.649 0.288 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.548 7.897 2.815 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.607 5.658 3.670 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.322 5.971 3.847 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.777 4.547 1.870 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.023 3.069 1.001 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.665 4.784 0.687 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.817 3.924 1.993 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.255 2.403 3.007 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.115 3.259 4.072 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.854 3.626 4.153 1.00 0.00 H new ATOM 1317 N SER B 82 -3.086 7.604 2.390 1.00 0.00 N ATOM 1318 CA SER B 82 -1.695 7.690 1.996 1.00 0.00 C ATOM 1319 C SER B 82 -0.812 7.049 3.064 1.00 0.00 C ATOM 1320 O SER B 82 -1.143 7.079 4.253 1.00 0.00 O ATOM 1321 CB SER B 82 -1.314 9.153 1.772 1.00 0.00 C ATOM 1322 OG SER B 82 -1.780 9.968 2.834 1.00 0.00 O ATOM 0 H SER B 82 -3.281 7.980 3.318 1.00 0.00 H new ATOM 0 HA SER B 82 -1.545 7.149 1.062 1.00 0.00 H new ATOM 0 HB2 SER B 82 -0.231 9.242 1.689 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.735 9.502 0.829 1.00 0.00 H new ATOM 0 HG SER B 82 -1.523 10.899 2.669 1.00 0.00 H new ATOM 1328 N ILE B 83 0.294 6.451 2.644 1.00 0.00 N ATOM 1329 CA ILE B 83 1.186 5.764 3.565 1.00 0.00 C ATOM 1330 C ILE B 83 2.465 6.569 3.781 1.00 0.00 C ATOM 1331 O ILE B 83 3.300 6.684 2.883 1.00 0.00 O ATOM 1332 CB ILE B 83 1.546 4.354 3.044 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.277 3.522 2.820 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.488 3.648 4.008 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.587 3.369 4.055 1.00 0.00 C ATOM 0 H ILE B 83 0.595 6.428 1.670 1.00 0.00 H new ATOM 0 HA ILE B 83 0.661 5.664 4.515 1.00 0.00 H new ATOM 0 HB ILE B 83 2.058 4.463 2.088 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.315 3.986 2.031 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.562 2.532 2.464 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.728 2.657 3.622 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.404 4.229 4.112 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.007 3.551 4.981 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.464 2.768 3.813 1.00 0.00 H new ATOM 0 HD12 ILE B 83 -0.015 2.876 4.841 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.905 4.353 4.401 1.00 0.00 H new ATOM 1347 N PRO B 84 2.628 7.150 4.974 1.00 0.00 N ATOM 1348 CA PRO B 84 3.815 7.921 5.306 1.00 0.00 C ATOM 1349 C PRO B 84 4.973 7.032 5.724 1.00 0.00 C ATOM 1350 O PRO B 84 4.794 6.067 6.468 1.00 0.00 O ATOM 1351 CB PRO B 84 3.352 8.789 6.470 1.00 0.00 C ATOM 1352 CG PRO B 84 2.285 7.992 7.145 1.00 0.00 C ATOM 1353 CD PRO B 84 1.670 7.100 6.093 1.00 0.00 C ATOM 0 HA PRO B 84 4.190 8.493 4.457 1.00 0.00 H new ATOM 0 HB2 PRO B 84 4.174 9.006 7.152 1.00 0.00 H new ATOM 0 HB3 PRO B 84 2.967 9.747 6.120 1.00 0.00 H new ATOM 0 HG2 PRO B 84 2.703 7.398 7.958 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.532 8.648 7.583 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.539 6.082 6.460 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.686 7.459 5.792 1.00 0.00 H new ATOM 1361 N LEU B 85 6.157 7.348 5.236 1.00 0.00 N ATOM 1362 CA LEU B 85 7.338 6.577 5.579 1.00 0.00 C ATOM 1363 C LEU B 85 8.139 7.303 6.645 1.00 0.00 C ATOM 1364 O LEU B 85 8.094 8.529 6.738 1.00 0.00 O ATOM 1365 CB LEU B 85 8.210 6.321 4.340 1.00 0.00 C ATOM 1366 CG LEU B 85 7.597 5.407 3.269 1.00 0.00 C ATOM 1367 CD1 LEU B 85 6.932 4.194 3.907 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.611 6.169 2.400 1.00 0.00 C ATOM 0 H LEU B 85 6.327 8.130 4.603 1.00 0.00 H new ATOM 0 HA LEU B 85 7.016 5.612 5.969 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.446 7.281 3.880 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.154 5.884 4.667 1.00 0.00 H new ATOM 0 HG LEU B 85 8.405 5.053 2.628 1.00 0.00 H new ATOM 0 HD11 LEU B 85 6.505 3.562 3.129 1.00 0.00 H new ATOM 0 HD12 LEU B 85 7.673 3.627 4.470 1.00 0.00 H new ATOM 0 HD13 LEU B 85 6.141 4.525 4.580 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.192 5.498 1.650 1.00 0.00 H new ATOM 0 HD22 LEU B 85 5.808 6.565 3.022 1.00 0.00 H new ATOM 0 HD23 LEU B 85 7.124 6.992 1.903 1.00 0.00 H new ATOM 1380 N PRO B 86 8.851 6.549 7.491 1.00 0.00 N ATOM 1381 CA PRO B 86 9.729 7.124 8.508 1.00 0.00 C ATOM 1382 C PRO B 86 10.869 7.917 7.880 1.00 0.00 C ATOM 1383 O PRO B 86 11.425 7.521 6.854 1.00 0.00 O ATOM 1384 CB PRO B 86 10.273 5.903 9.253 1.00 0.00 C ATOM 1385 CG PRO B 86 10.089 4.766 8.313 1.00 0.00 C ATOM 1386 CD PRO B 86 8.849 5.078 7.534 1.00 0.00 C ATOM 0 HA PRO B 86 9.204 7.825 9.157 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.323 6.035 9.513 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.733 5.736 10.185 1.00 0.00 H new ATOM 0 HG2 PRO B 86 10.950 4.661 7.653 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.985 3.825 8.853 1.00 0.00 H new ATOM 0 HD2 PRO B 86 8.880 4.644 6.534 1.00 0.00 H new ATOM 0 HD3 PRO B 86 7.956 4.689 8.023 1.00 0.00 H new ATOM 1394 N ARG B 87 11.224 9.027 8.508 1.00 0.00 N ATOM 1395 CA ARG B 87 12.245 9.916 7.965 1.00 0.00 C ATOM 1396 C ARG B 87 13.646 9.379 8.246 1.00 0.00 C ATOM 1397 O ARG B 87 14.640 9.962 7.815 1.00 0.00 O ATOM 1398 CB ARG B 87 12.103 11.333 8.538 1.00 0.00 C ATOM 1399 CG ARG B 87 10.998 12.166 7.897 1.00 0.00 C ATOM 1400 CD ARG B 87 9.608 11.659 8.255 1.00 0.00 C ATOM 1401 NE ARG B 87 8.562 12.430 7.586 1.00 0.00 N ATOM 1402 CZ ARG B 87 7.254 12.201 7.715 1.00 0.00 C ATOM 1403 NH1 ARG B 87 6.815 11.230 8.506 1.00 0.00 N ATOM 1404 NH2 ARG B 87 6.385 12.952 7.053 1.00 0.00 N ATOM 0 H ARG B 87 10.822 9.336 9.393 1.00 0.00 H new ATOM 0 HA ARG B 87 12.099 9.960 6.886 1.00 0.00 H new ATOM 0 HB2 ARG B 87 11.912 11.261 9.609 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.051 11.857 8.418 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.097 13.203 8.216 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.119 12.153 6.814 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.521 10.609 7.976 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.467 11.715 9.334 1.00 0.00 H new ATOM 0 HE ARG B 87 8.852 13.196 6.978 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.479 10.652 9.021 1.00 0.00 H new ATOM 0 HH12 ARG B 87 5.813 11.062 8.599 1.00 0.00 H new ATOM 0 HH21 ARG B 87 6.717 13.702 6.447 1.00 0.00 H new ATOM 0 HH22 ARG B 87 5.384 12.779 7.149 1.00 0.00 H new ATOM 1418 N ASP B 88 13.721 8.263 8.964 1.00 0.00 N ATOM 1419 CA ASP B 88 14.988 7.641 9.284 1.00 0.00 C ATOM 1420 C ASP B 88 15.362 6.593 8.244 1.00 0.00 C ATOM 1421 O ASP B 88 16.391 5.929 8.361 1.00 0.00 O ATOM 1422 CB ASP B 88 14.923 7.009 10.674 1.00 0.00 C ATOM 1423 CG ASP B 88 13.718 6.110 10.877 1.00 0.00 C ATOM 1424 OD1 ASP B 88 12.636 6.638 11.209 1.00 0.00 O ATOM 1425 OD2 ASP B 88 13.847 4.876 10.735 1.00 0.00 O ATOM 0 H ASP B 88 12.908 7.772 9.335 1.00 0.00 H new ATOM 0 HA ASP B 88 15.759 8.411 9.278 1.00 0.00 H new ATOM 0 HB2 ASP B 88 15.831 6.430 10.843 1.00 0.00 H new ATOM 0 HB3 ASP B 88 14.906 7.800 11.423 1.00 0.00 H new ATOM 1430 N ILE B 89 14.528 6.454 7.223 1.00 0.00 N ATOM 1431 CA ILE B 89 14.769 5.482 6.163 1.00 0.00 C ATOM 1432 C ILE B 89 14.844 6.178 4.806 1.00 0.00 C ATOM 1433 O ILE B 89 14.072 7.096 4.527 1.00 0.00 O ATOM 1434 CB ILE B 89 13.662 4.400 6.138 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.648 3.633 7.466 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.860 3.440 4.969 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.618 2.525 7.528 1.00 0.00 C ATOM 0 H ILE B 89 13.676 7.003 7.105 1.00 0.00 H new ATOM 0 HA ILE B 89 15.723 4.996 6.367 1.00 0.00 H new ATOM 0 HB ILE B 89 12.700 4.895 6.005 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.636 3.206 7.637 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.459 4.336 8.277 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.069 2.691 4.976 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.826 3.996 4.032 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.828 2.947 5.063 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.672 2.032 8.498 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.622 2.946 7.390 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.817 1.799 6.740 1.00 0.00 H new ATOM 1449 N VAL B 90 15.793 5.757 3.982 1.00 0.00 N ATOM 1450 CA VAL B 90 15.929 6.286 2.631 1.00 0.00 C ATOM 1451 C VAL B 90 15.009 5.524 1.688 1.00 0.00 C ATOM 1452 O VAL B 90 15.089 4.300 1.586 1.00 0.00 O ATOM 1453 CB VAL B 90 17.384 6.184 2.125 1.00 0.00 C ATOM 1454 CG1 VAL B 90 17.510 6.775 0.729 1.00 0.00 C ATOM 1455 CG2 VAL B 90 18.338 6.874 3.090 1.00 0.00 C ATOM 0 H VAL B 90 16.484 5.047 4.226 1.00 0.00 H new ATOM 0 HA VAL B 90 15.652 7.340 2.654 1.00 0.00 H new ATOM 0 HB VAL B 90 17.655 5.129 2.074 1.00 0.00 H new ATOM 0 HG11 VAL B 90 18.543 6.693 0.391 1.00 0.00 H new ATOM 0 HG12 VAL B 90 16.860 6.231 0.044 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.217 7.825 0.751 1.00 0.00 H new ATOM 0 HG21 VAL B 90 19.358 6.791 2.715 1.00 0.00 H new ATOM 0 HG22 VAL B 90 18.068 7.926 3.178 1.00 0.00 H new ATOM 0 HG23 VAL B 90 18.271 6.400 4.069 1.00 0.00 H new ATOM 1465 N VAL B 91 14.126 6.242 1.012 1.00 0.00 N ATOM 1466 CA VAL B 91 13.119 5.606 0.178 1.00 0.00 C ATOM 1467 C VAL B 91 13.150 6.155 -1.243 1.00 0.00 C ATOM 1468 O VAL B 91 13.156 7.364 -1.458 1.00 0.00 O ATOM 1469 CB VAL B 91 11.705 5.795 0.773 1.00 0.00 C ATOM 1470 CG1 VAL B 91 10.664 5.084 -0.069 1.00 0.00 C ATOM 1471 CG2 VAL B 91 11.650 5.308 2.214 1.00 0.00 C ATOM 0 H VAL B 91 14.086 7.261 1.024 1.00 0.00 H new ATOM 0 HA VAL B 91 13.353 4.542 0.148 1.00 0.00 H new ATOM 0 HB VAL B 91 11.480 6.862 0.766 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.678 5.232 0.370 1.00 0.00 H new ATOM 0 HG12 VAL B 91 10.675 5.490 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL B 91 10.890 4.018 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.644 5.452 2.609 1.00 0.00 H new ATOM 0 HG22 VAL B 91 11.905 4.249 2.250 1.00 0.00 H new ATOM 0 HG23 VAL B 91 12.361 5.873 2.817 1.00 0.00 H new ATOM 1481 N ASN B 92 13.185 5.245 -2.203 1.00 0.00 N ATOM 1482 CA ASN B 92 13.163 5.592 -3.619 1.00 0.00 C ATOM 1483 C ASN B 92 12.309 4.593 -4.378 1.00 0.00 C ATOM 1484 O ASN B 92 12.068 3.485 -3.903 1.00 0.00 O ATOM 1485 CB ASN B 92 14.574 5.605 -4.210 1.00 0.00 C ATOM 1486 CG ASN B 92 15.573 4.825 -3.384 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.387 5.402 -2.664 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.483 3.510 -3.439 1.00 0.00 N ATOM 0 H ASN B 92 13.230 4.242 -2.024 1.00 0.00 H new ATOM 0 HA ASN B 92 12.741 6.592 -3.714 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.543 5.190 -5.218 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.914 6.637 -4.300 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.103 2.932 -2.871 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.794 3.071 -4.050 1.00 0.00 H new ATOM 1495 N ALA B 93 11.886 4.982 -5.576 1.00 0.00 N ATOM 1496 CA ALA B 93 10.972 4.180 -6.388 1.00 0.00 C ATOM 1497 C ALA B 93 11.601 2.864 -6.834 1.00 0.00 C ATOM 1498 O ALA B 93 10.910 1.974 -7.321 1.00 0.00 O ATOM 1499 CB ALA B 93 10.521 4.985 -7.594 1.00 0.00 C ATOM 0 H ALA B 93 12.165 5.860 -6.013 1.00 0.00 H new ATOM 0 HA ALA B 93 10.110 3.929 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.840 4.385 -8.198 1.00 0.00 H new ATOM 0 HB2 ALA B 93 10.010 5.887 -7.259 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.389 5.261 -8.193 1.00 0.00 H new ATOM 1505 N ALA B 94 12.908 2.752 -6.663 1.00 0.00 N ATOM 1506 CA ALA B 94 13.629 1.530 -7.012 1.00 0.00 C ATOM 1507 C ALA B 94 13.695 0.581 -5.824 1.00 0.00 C ATOM 1508 O ALA B 94 14.125 -0.567 -5.947 1.00 0.00 O ATOM 1509 CB ALA B 94 15.031 1.866 -7.480 1.00 0.00 C ATOM 0 H ALA B 94 13.497 3.493 -6.283 1.00 0.00 H new ATOM 0 HA ALA B 94 13.089 1.036 -7.820 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.559 0.948 -7.737 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.977 2.511 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.567 2.381 -6.683 1.00 0.00 H new ATOM 1515 N ASP B 95 13.282 1.078 -4.670 1.00 0.00 N ATOM 1516 CA ASP B 95 13.309 0.295 -3.442 1.00 0.00 C ATOM 1517 C ASP B 95 11.886 -0.006 -2.995 1.00 0.00 C ATOM 1518 O ASP B 95 11.629 -0.984 -2.296 1.00 0.00 O ATOM 1519 CB ASP B 95 14.061 1.062 -2.356 1.00 0.00 C ATOM 1520 CG ASP B 95 14.611 0.173 -1.263 1.00 0.00 C ATOM 1521 OD1 ASP B 95 15.203 -0.878 -1.585 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.489 0.542 -0.080 1.00 0.00 O ATOM 0 H ASP B 95 12.922 2.025 -4.556 1.00 0.00 H new ATOM 0 HA ASP B 95 13.826 -0.648 -3.623 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.883 1.613 -2.814 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.391 1.799 -1.912 1.00 0.00 H new ATOM 1527 N ILE B 96 10.967 0.852 -3.419 1.00 0.00 N ATOM 1528 CA ILE B 96 9.549 0.680 -3.144 1.00 0.00 C ATOM 1529 C ILE B 96 8.963 -0.450 -3.986 1.00 0.00 C ATOM 1530 O ILE B 96 8.916 -0.365 -5.213 1.00 0.00 O ATOM 1531 CB ILE B 96 8.788 1.980 -3.449 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.286 3.110 -2.559 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.289 1.786 -3.263 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.865 4.473 -3.050 1.00 0.00 C ATOM 0 H ILE B 96 11.185 1.687 -3.963 1.00 0.00 H new ATOM 0 HA ILE B 96 9.441 0.429 -2.089 1.00 0.00 H new ATOM 0 HB ILE B 96 8.974 2.245 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.909 2.962 -1.547 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.374 3.069 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.771 2.719 -3.484 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.936 1.006 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE B 96 7.085 1.493 -2.233 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.249 5.238 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.264 4.638 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.777 4.529 -3.079 1.00 0.00 H new ATOM 1546 N LYS B 97 8.525 -1.504 -3.325 1.00 0.00 N ATOM 1547 CA LYS B 97 7.949 -2.655 -4.002 1.00 0.00 C ATOM 1548 C LYS B 97 6.457 -2.744 -3.699 1.00 0.00 C ATOM 1549 O LYS B 97 6.064 -3.167 -2.612 1.00 0.00 O ATOM 1550 CB LYS B 97 8.652 -3.939 -3.547 1.00 0.00 C ATOM 1551 CG LYS B 97 10.171 -3.824 -3.479 1.00 0.00 C ATOM 1552 CD LYS B 97 10.771 -3.392 -4.810 1.00 0.00 C ATOM 1553 CE LYS B 97 10.646 -4.472 -5.873 1.00 0.00 C ATOM 1554 NZ LYS B 97 11.477 -5.660 -5.552 1.00 0.00 N ATOM 0 H LYS B 97 8.557 -1.589 -2.309 1.00 0.00 H new ATOM 0 HA LYS B 97 8.087 -2.538 -5.077 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.275 -4.218 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.389 -4.747 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.446 -3.105 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.594 -4.784 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.273 -2.486 -5.154 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.823 -3.143 -4.669 1.00 0.00 H new ATOM 0 HE2 LYS B 97 9.602 -4.773 -5.965 1.00 0.00 H new ATOM 0 HE3 LYS B 97 10.948 -4.068 -6.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 11.684 -6.185 -6.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 12.369 -5.352 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 10.962 -6.276 -4.891 1.00 0.00 H new ATOM 1568 N ILE B 98 5.628 -2.320 -4.648 1.00 0.00 N ATOM 1569 CA ILE B 98 4.182 -2.342 -4.460 1.00 0.00 C ATOM 1570 C ILE B 98 3.544 -3.526 -5.188 1.00 0.00 C ATOM 1571 O ILE B 98 3.683 -3.676 -6.408 1.00 0.00 O ATOM 1572 CB ILE B 98 3.530 -1.029 -4.947 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.139 0.168 -4.214 1.00 0.00 C ATOM 1574 CG2 ILE B 98 2.025 -1.069 -4.743 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.461 1.483 -4.531 1.00 0.00 C ATOM 0 H ILE B 98 5.932 -1.958 -5.552 1.00 0.00 H new ATOM 0 HA ILE B 98 4.005 -2.448 -3.390 1.00 0.00 H new ATOM 0 HB ILE B 98 3.726 -0.921 -6.014 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.085 -0.009 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.195 0.242 -4.472 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.585 -0.135 -5.093 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.603 -1.901 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.805 -1.200 -3.683 1.00 0.00 H new ATOM 0 HD11 ILE B 98 3.946 2.286 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.538 1.683 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.410 1.428 -4.246 1.00 0.00 H new ATOM 1587 N PHE B 99 2.839 -4.356 -4.431 1.00 0.00 N ATOM 1588 CA PHE B 99 2.185 -5.542 -4.965 1.00 0.00 C ATOM 1589 C PHE B 99 0.752 -5.630 -4.453 1.00 0.00 C ATOM 1590 O PHE B 99 0.522 -5.740 -3.253 1.00 0.00 O ATOM 1591 CB PHE B 99 2.938 -6.809 -4.552 1.00 0.00 C ATOM 1592 CG PHE B 99 4.246 -7.024 -5.260 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.406 -6.402 -4.826 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.315 -7.867 -6.356 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.605 -6.614 -5.476 1.00 0.00 C ATOM 1596 CE2 PHE B 99 5.513 -8.084 -7.008 1.00 0.00 C ATOM 1597 CZ PHE B 99 6.659 -7.456 -6.568 1.00 0.00 C ATOM 0 H PHE B 99 2.705 -4.225 -3.428 1.00 0.00 H new ATOM 0 HA PHE B 99 2.184 -5.463 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE B 99 3.124 -6.771 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.297 -7.671 -4.734 1.00 0.00 H new ATOM 0 HD1 PHE B 99 5.371 -5.744 -3.970 1.00 0.00 H new ATOM 0 HD2 PHE B 99 3.421 -8.361 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.501 -6.121 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE B 99 5.552 -8.745 -7.861 1.00 0.00 H new ATOM 0 HZ PHE B 99 7.597 -7.623 -7.077 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.209 -5.586 -5.357 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.609 -5.682 -4.968 1.00 0.00 C ATOM 1609 C HIS B 100 -2.131 -7.089 -5.203 1.00 0.00 C ATOM 1610 O HIS B 100 -2.337 -7.503 -6.344 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.467 -4.664 -5.731 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.943 -4.817 -5.491 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.850 -5.076 -6.498 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.665 -4.768 -4.345 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.058 -5.183 -5.983 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.976 -5.000 -4.679 1.00 0.00 N ATOM 0 H HIS B 100 -0.051 -5.485 -6.360 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.677 -5.454 -3.904 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.163 -3.658 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.269 -4.763 -6.798 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.621 -5.170 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.280 -4.581 -3.353 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -6.963 -5.386 -6.536 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.346 -7.819 -4.125 1.00 0.00 N ATOM 1626 CA ILE B 101 -2.917 -9.146 -4.219 1.00 0.00 C ATOM 1627 C ILE B 101 -4.433 -9.061 -4.216 1.00 0.00 C ATOM 1628 O ILE B 101 -5.058 -8.855 -3.175 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.444 -10.062 -3.073 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -0.928 -10.236 -3.141 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.138 -11.417 -3.138 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.394 -11.181 -2.098 1.00 0.00 C ATOM 0 H ILE B 101 -2.133 -7.514 -3.175 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.573 -9.584 -5.156 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.707 -9.595 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -0.655 -10.604 -4.130 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -0.451 -9.263 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -2.787 -12.045 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.216 -11.278 -3.053 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -2.908 -11.898 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.688 -11.261 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.638 -10.803 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.845 -12.164 -2.233 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.017 -9.206 -5.394 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.464 -9.156 -5.549 1.00 0.00 C ATOM 1646 C ARG B 102 -7.115 -10.389 -4.928 1.00 0.00 C ATOM 1647 O ARG B 102 -8.310 -10.396 -4.648 1.00 0.00 O ATOM 1648 CB ARG B 102 -6.833 -9.022 -7.035 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.172 -10.054 -7.946 1.00 0.00 C ATOM 1650 CD ARG B 102 -6.946 -11.363 -7.990 1.00 0.00 C ATOM 1651 NE ARG B 102 -6.171 -12.439 -8.609 1.00 0.00 N ATOM 1652 CZ ARG B 102 -6.407 -12.937 -9.822 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -7.408 -12.472 -10.559 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -5.640 -13.913 -10.291 1.00 0.00 N ATOM 0 H ARG B 102 -4.508 -9.361 -6.264 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.844 -8.280 -5.023 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -7.915 -9.106 -7.137 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.557 -8.024 -7.377 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -6.092 -9.647 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -5.157 -10.246 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -7.224 -11.654 -6.977 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -7.872 -11.218 -8.546 1.00 0.00 H new ATOM 0 HE ARG B 102 -5.397 -12.835 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -8.004 -11.727 -10.198 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -7.581 -12.859 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -4.875 -14.278 -9.724 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -5.816 -14.298 -11.219 1.00 0.00 H new ATOM 1668 N LYS B 103 -6.309 -11.418 -4.698 1.00 0.00 N ATOM 1669 CA LYS B 103 -6.796 -12.664 -4.123 1.00 0.00 C ATOM 1670 C LYS B 103 -7.245 -12.461 -2.678 1.00 0.00 C ATOM 1671 O LYS B 103 -8.342 -12.858 -2.295 1.00 0.00 O ATOM 1672 CB LYS B 103 -5.690 -13.716 -4.161 1.00 0.00 C ATOM 1673 CG LYS B 103 -6.131 -15.075 -3.660 1.00 0.00 C ATOM 1674 CD LYS B 103 -4.946 -15.924 -3.242 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.395 -17.280 -2.729 1.00 0.00 C ATOM 1676 NZ LYS B 103 -6.528 -17.164 -1.772 1.00 0.00 N ATOM 0 H LYS B 103 -5.310 -11.413 -4.902 1.00 0.00 H new ATOM 0 HA LYS B 103 -7.650 -12.999 -4.711 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -5.329 -13.815 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -4.850 -13.370 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -6.807 -14.950 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -6.690 -15.589 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -4.274 -16.057 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.381 -15.408 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.693 -17.906 -3.570 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -4.558 -17.779 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -6.651 -18.066 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -6.327 -16.409 -1.086 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -7.400 -16.937 -2.292 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.396 -11.819 -1.888 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.677 -11.603 -0.472 1.00 0.00 C ATOM 1692 C GLU B 104 -7.162 -10.179 -0.245 1.00 0.00 C ATOM 1693 O GLU B 104 -7.362 -9.748 0.891 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.420 -11.856 0.367 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.750 -13.197 0.097 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.618 -14.381 0.466 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -5.579 -14.815 1.637 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.330 -14.897 -0.416 1.00 0.00 O ATOM 0 H GLU B 104 -5.504 -11.437 -2.203 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.455 -12.302 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.702 -11.058 0.175 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.684 -11.800 1.423 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.490 -13.260 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -3.817 -13.249 0.658 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.335 -9.455 -1.352 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.717 -8.044 -1.325 1.00 0.00 C ATOM 1707 C ARG B 105 -6.740 -7.240 -0.482 1.00 0.00 C ATOM 1708 O ARG B 105 -7.126 -6.304 0.215 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.144 -7.857 -0.792 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.227 -8.290 -1.764 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.373 -9.802 -1.831 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.416 -10.206 -2.773 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.750 -11.472 -3.019 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -11.114 -12.466 -2.415 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -12.722 -11.746 -3.877 1.00 0.00 N ATOM 0 H ARG B 105 -7.214 -9.831 -2.292 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.687 -7.679 -2.351 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.253 -8.423 0.133 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.293 -6.807 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -11.178 -7.849 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -9.995 -7.905 -2.757 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -9.423 -10.246 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -10.609 -10.189 -0.840 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.919 -9.473 -3.273 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.362 -12.265 -1.756 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -11.377 -13.432 -2.609 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -13.214 -10.988 -4.349 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -12.978 -12.715 -4.065 1.00 0.00 H new ATOM 1729 N THR B 106 -5.467 -7.601 -0.560 1.00 0.00 N ATOM 1730 CA THR B 106 -4.466 -6.994 0.292 1.00 0.00 C ATOM 1731 C THR B 106 -3.325 -6.411 -0.533 1.00 0.00 C ATOM 1732 O THR B 106 -2.791 -7.064 -1.430 1.00 0.00 O ATOM 1733 CB THR B 106 -3.919 -8.016 1.307 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.002 -8.604 2.042 1.00 0.00 O ATOM 1735 CG2 THR B 106 -2.951 -7.356 2.276 1.00 0.00 C ATOM 0 H THR B 106 -5.109 -8.308 -1.202 1.00 0.00 H new ATOM 0 HA THR B 106 -4.945 -6.182 0.839 1.00 0.00 H new ATOM 0 HB THR B 106 -3.386 -8.790 0.754 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.609 -9.060 1.422 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.579 -8.099 2.982 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.114 -6.932 1.722 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.465 -6.564 2.820 1.00 0.00 H new ATOM 1743 N LEU B 107 -2.982 -5.168 -0.242 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.898 -4.486 -0.925 1.00 0.00 C ATOM 1745 C LEU B 107 -0.633 -4.552 -0.073 1.00 0.00 C ATOM 1746 O LEU B 107 -0.605 -4.051 1.052 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.287 -3.026 -1.185 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.937 -2.478 -2.570 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -2.393 -1.035 -2.695 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -0.448 -2.578 -2.841 1.00 0.00 C ATOM 0 H LEU B 107 -3.445 -4.606 0.472 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.707 -4.974 -1.880 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.362 -2.925 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -1.801 -2.402 -0.435 1.00 0.00 H new ATOM 0 HG LEU B 107 -2.458 -3.084 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -2.138 -0.657 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -3.472 -0.981 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.897 -0.430 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.231 -2.181 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU B 107 0.097 -2.003 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -0.139 -3.622 -2.793 1.00 0.00 H new ATOM 1762 N TYR B 108 0.393 -5.194 -0.605 1.00 0.00 N ATOM 1763 CA TYR B 108 1.661 -5.338 0.094 1.00 0.00 C ATOM 1764 C TYR B 108 2.649 -4.262 -0.335 1.00 0.00 C ATOM 1765 O TYR B 108 2.928 -4.096 -1.526 1.00 0.00 O ATOM 1766 CB TYR B 108 2.259 -6.722 -0.169 1.00 0.00 C ATOM 1767 CG TYR B 108 1.449 -7.858 0.414 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.174 -8.136 -0.051 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.961 -8.651 1.433 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.571 -9.165 0.480 1.00 0.00 C ATOM 1771 CE2 TYR B 108 1.223 -9.688 1.969 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.045 -9.940 1.489 1.00 0.00 C ATOM 1773 OH TYR B 108 -0.789 -10.971 2.020 1.00 0.00 O ATOM 0 H TYR B 108 0.373 -5.628 -1.528 1.00 0.00 H new ATOM 0 HA TYR B 108 1.469 -5.225 1.161 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.351 -6.869 -1.245 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.267 -6.757 0.245 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.243 -7.534 -0.845 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.953 -8.453 1.812 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.565 -9.363 0.106 1.00 0.00 H new ATOM 0 HE2 TYR B 108 1.636 -10.298 2.759 1.00 0.00 H new ATOM 0 HH TYR B 108 -1.390 -11.328 1.333 1.00 0.00 H new ATOM 1783 N ILE B 109 3.153 -3.524 0.640 1.00 0.00 N ATOM 1784 CA ILE B 109 4.159 -2.501 0.402 1.00 0.00 C ATOM 1785 C ILE B 109 5.464 -2.889 1.086 1.00 0.00 C ATOM 1786 O ILE B 109 5.518 -3.003 2.312 1.00 0.00 O ATOM 1787 CB ILE B 109 3.708 -1.130 0.951 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.338 -0.737 0.389 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.741 -0.054 0.643 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.312 -0.584 -1.115 1.00 0.00 C ATOM 0 H ILE B 109 2.877 -3.616 1.618 1.00 0.00 H new ATOM 0 HA ILE B 109 4.301 -2.423 -0.676 1.00 0.00 H new ATOM 0 HB ILE B 109 3.619 -1.218 2.034 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.607 -1.492 0.680 1.00 0.00 H new ATOM 0 HG13 ILE B 109 2.025 0.202 0.845 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.400 0.902 1.040 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.692 -0.320 1.104 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.871 0.027 -0.436 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.308 -0.305 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE B 109 3.017 0.192 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.592 -1.528 -1.582 1.00 0.00 H new ATOM 1802 N TYR B 110 6.503 -3.116 0.302 1.00 0.00 N ATOM 1803 CA TYR B 110 7.813 -3.424 0.850 1.00 0.00 C ATOM 1804 C TYR B 110 8.804 -2.333 0.476 1.00 0.00 C ATOM 1805 O TYR B 110 8.961 -2.010 -0.698 1.00 0.00 O ATOM 1806 CB TYR B 110 8.321 -4.767 0.328 1.00 0.00 C ATOM 1807 CG TYR B 110 7.428 -5.945 0.640 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.391 -6.300 -0.213 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.639 -6.719 1.773 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.588 -7.390 0.059 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.845 -7.813 2.048 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.821 -8.145 1.189 1.00 0.00 C ATOM 1813 OH TYR B 110 5.032 -9.238 1.457 1.00 0.00 O ATOM 0 H TYR B 110 6.465 -3.093 -0.717 1.00 0.00 H new ATOM 0 HA TYR B 110 7.720 -3.481 1.935 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.444 -4.698 -0.753 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.308 -4.955 0.750 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.210 -5.715 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.439 -6.460 2.451 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.781 -7.650 -0.610 1.00 0.00 H new ATOM 0 HE2 TYR B 110 7.025 -8.406 2.932 1.00 0.00 H new ATOM 0 HH TYR B 110 5.039 -9.418 2.420 1.00 0.00 H new ATOM 1823 N ILE B 111 9.455 -1.759 1.470 1.00 0.00 N ATOM 1824 CA ILE B 111 10.465 -0.741 1.230 1.00 0.00 C ATOM 1825 C ILE B 111 11.715 -1.058 2.035 1.00 0.00 C ATOM 1826 O ILE B 111 11.769 -0.705 3.229 1.00 0.00 O ATOM 1827 CB ILE B 111 9.957 0.677 1.586 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.676 0.991 0.807 1.00 0.00 C ATOM 1829 CG2 ILE B 111 11.031 1.719 1.285 1.00 0.00 C ATOM 1830 CD1 ILE B 111 8.087 2.349 1.115 1.00 0.00 C ATOM 1831 OXT ILE B 111 12.629 -1.699 1.481 1.00 0.00 O ATOM 0 H ILE B 111 9.303 -1.980 2.454 1.00 0.00 H new ATOM 0 HA ILE B 111 10.696 -0.750 0.165 1.00 0.00 H new ATOM 0 HB ILE B 111 9.734 0.710 2.652 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.888 0.932 -0.260 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.932 0.225 1.027 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.658 2.711 1.541 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.922 1.504 1.874 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.281 1.688 0.225 1.00 0.00 H new ATOM 0 HD11 ILE B 111 7.183 2.496 0.524 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.841 2.407 2.175 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.812 3.125 0.868 1.00 0.00 H new