USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 689 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 32 TYR OH : rot -59:sc= 0.579 USER MOD Set 1.2: A 40 CYS SG : rot -169:sc= 0.555 USER MOD Set 2.1: A 15 MET CE :methyl -156:sc= -0.106 (180deg=-0.216) USER MOD Set 2.2: A 18 MET CE :methyl 159:sc= 0 (180deg=-0.0681) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0.0566 X(o=0.057,f=0) USER MOD Single : A 20 ASN : amide:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0849 USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= -0.162 (180deg=-2.35!) USER MOD Single : A 50 TYR OH : rot -174:sc= 0.317 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.289 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.607 USER MOD Single : A 70 TYR OH : rot 18:sc= 1.36 USER MOD Single : A 72 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.51) USER MOD Single : A 78 SER OG : rot -77:sc= 1.07 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.909 USER MOD Single : A 89 SER OG : rot 170:sc= -0.863 USER MOD Single : A 90 THR OG1 : rot 48:sc= 1.11 USER MOD Single : A 96 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.093 -12.042 7.792 1.00 0.00 N ATOM 105 CA LEU A 11 -2.596 -10.846 7.125 1.00 0.00 C ATOM 106 C LEU A 11 -4.028 -11.052 6.642 1.00 0.00 C ATOM 107 O LEU A 11 -4.871 -10.167 6.775 1.00 0.00 O ATOM 108 CB LEU A 11 -1.695 -10.481 5.944 1.00 0.00 C ATOM 109 CG LEU A 11 -2.102 -9.241 5.147 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.808 -7.977 5.939 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.386 -9.210 3.804 1.00 0.00 C ATOM 0 HA LEU A 11 -2.590 -10.028 7.846 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.682 -10.331 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.661 -11.331 5.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.175 -9.288 4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.104 -7.105 5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.368 -7.995 6.874 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.741 -7.923 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.688 -8.321 3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.308 -9.188 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.648 -10.100 3.231 1.00 0.00 H new ATOM 123 N GLU A 12 -4.294 -12.229 6.083 1.00 0.00 N ATOM 124 CA GLU A 12 -5.625 -12.551 5.582 1.00 0.00 C ATOM 125 C GLU A 12 -6.673 -12.394 6.680 1.00 0.00 C ATOM 126 O GLU A 12 -7.755 -11.855 6.449 1.00 0.00 O ATOM 127 CB GLU A 12 -5.655 -13.980 5.034 1.00 0.00 C ATOM 128 CG GLU A 12 -5.292 -14.074 3.562 1.00 0.00 C ATOM 129 CD GLU A 12 -6.070 -13.095 2.704 1.00 0.00 C ATOM 130 OE1 GLU A 12 -7.256 -12.851 3.011 1.00 0.00 O ATOM 131 OE2 GLU A 12 -5.494 -12.573 1.727 1.00 0.00 O ATOM 0 H GLU A 12 -3.607 -12.974 5.966 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.861 -11.855 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.964 -14.596 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.652 -14.396 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.225 -13.887 3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.479 -15.088 3.210 1.00 0.00 H new ATOM 138 N LYS A 13 -6.343 -12.870 7.876 1.00 0.00 N ATOM 139 CA LYS A 13 -7.254 -12.782 9.012 1.00 0.00 C ATOM 140 C LYS A 13 -7.581 -11.328 9.337 1.00 0.00 C ATOM 141 O LYS A 13 -8.724 -10.892 9.193 1.00 0.00 O ATOM 142 CB LYS A 13 -6.640 -13.464 10.237 1.00 0.00 C ATOM 143 CG LYS A 13 -6.467 -14.964 10.076 1.00 0.00 C ATOM 144 CD LYS A 13 -5.293 -15.481 10.891 1.00 0.00 C ATOM 145 CE LYS A 13 -5.693 -15.751 12.334 1.00 0.00 C ATOM 146 NZ LYS A 13 -6.172 -17.148 12.524 1.00 0.00 N ATOM 0 H LYS A 13 -5.452 -13.321 8.084 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.179 -13.292 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.668 -13.015 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.271 -13.271 11.104 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.379 -15.472 10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.314 -15.203 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.911 -16.397 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.483 -14.752 10.867 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.840 -15.567 12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.478 -15.055 12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.435 -17.292 13.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.001 -17.316 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.415 -17.813 12.266 1.00 0.00 H new ATOM 160 N LEU A 14 -6.572 -10.583 9.773 1.00 0.00 N ATOM 161 CA LEU A 14 -6.752 -9.176 10.116 1.00 0.00 C ATOM 162 C LEU A 14 -7.543 -8.449 9.034 1.00 0.00 C ATOM 163 O LEU A 14 -8.523 -7.763 9.324 1.00 0.00 O ATOM 164 CB LEU A 14 -5.394 -8.501 10.312 1.00 0.00 C ATOM 165 CG LEU A 14 -5.429 -7.018 10.683 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.464 -6.846 12.194 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.231 -6.291 10.089 1.00 0.00 C ATOM 0 H LEU A 14 -5.621 -10.929 9.898 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.314 -9.124 11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.853 -9.037 11.092 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.820 -8.611 9.392 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.337 -6.581 10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.489 -5.784 12.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.354 -7.332 12.595 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.575 -7.299 12.632 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.272 -5.237 10.363 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.311 -6.730 10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.250 -6.384 9.003 1.00 0.00 H new ATOM 179 N MET A 15 -7.113 -8.605 7.787 1.00 0.00 N ATOM 180 CA MET A 15 -7.784 -7.966 6.661 1.00 0.00 C ATOM 181 C MET A 15 -9.244 -8.399 6.581 1.00 0.00 C ATOM 182 O MET A 15 -10.133 -7.576 6.367 1.00 0.00 O ATOM 183 CB MET A 15 -7.067 -8.305 5.353 1.00 0.00 C ATOM 184 CG MET A 15 -5.745 -7.575 5.177 1.00 0.00 C ATOM 185 SD MET A 15 -4.994 -7.110 6.749 1.00 0.00 S ATOM 186 CE MET A 15 -4.740 -5.355 6.496 1.00 0.00 C ATOM 0 H MET A 15 -6.303 -9.169 7.530 1.00 0.00 H new ATOM 0 HA MET A 15 -7.751 -6.888 6.816 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.887 -9.379 5.315 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.721 -8.061 4.516 1.00 0.00 H new ATOM 0 HG2 MET A 15 -5.054 -8.211 4.623 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.906 -6.680 4.577 1.00 0.00 H new ATOM 0 HE1 MET A 15 -3.937 -5.006 7.145 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.471 -5.173 5.456 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.658 -4.817 6.733 1.00 0.00 H new ATOM 196 N GLU A 16 -9.483 -9.695 6.754 1.00 0.00 N ATOM 197 CA GLU A 16 -10.836 -10.236 6.700 1.00 0.00 C ATOM 198 C GLU A 16 -11.751 -9.510 7.682 1.00 0.00 C ATOM 199 O GLU A 16 -12.950 -9.370 7.442 1.00 0.00 O ATOM 200 CB GLU A 16 -10.823 -11.734 7.011 1.00 0.00 C ATOM 201 CG GLU A 16 -12.189 -12.293 7.370 1.00 0.00 C ATOM 202 CD GLU A 16 -12.107 -13.654 8.034 1.00 0.00 C ATOM 203 OE1 GLU A 16 -11.203 -14.437 7.674 1.00 0.00 O ATOM 204 OE2 GLU A 16 -12.947 -13.936 8.915 1.00 0.00 O ATOM 0 H GLU A 16 -8.758 -10.390 6.933 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.220 -10.085 5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.435 -12.273 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.136 -11.919 7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.698 -11.598 8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.795 -12.369 6.467 1.00 0.00 H new ATOM 211 N ASN A 17 -11.177 -9.050 8.789 1.00 0.00 N ATOM 212 CA ASN A 17 -11.940 -8.340 9.808 1.00 0.00 C ATOM 213 C ASN A 17 -12.159 -6.884 9.407 1.00 0.00 C ATOM 214 O ASN A 17 -13.260 -6.351 9.544 1.00 0.00 O ATOM 215 CB ASN A 17 -11.218 -8.406 11.155 1.00 0.00 C ATOM 216 CG ASN A 17 -11.446 -9.725 11.868 1.00 0.00 C ATOM 217 OD1 ASN A 17 -12.039 -9.767 12.946 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.973 -10.812 11.268 1.00 0.00 N ATOM 0 H ASN A 17 -10.185 -9.157 9.003 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.912 -8.824 9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.149 -8.260 10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.562 -7.589 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.095 -11.727 11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.488 -10.731 10.375 1.00 0.00 H new ATOM 225 N MET A 18 -11.103 -6.247 8.912 1.00 0.00 N ATOM 226 CA MET A 18 -11.180 -4.853 8.489 1.00 0.00 C ATOM 227 C MET A 18 -12.111 -4.699 7.291 1.00 0.00 C ATOM 228 O MET A 18 -13.060 -3.915 7.326 1.00 0.00 O ATOM 229 CB MET A 18 -9.787 -4.326 8.139 1.00 0.00 C ATOM 230 CG MET A 18 -9.797 -2.920 7.564 1.00 0.00 C ATOM 231 SD MET A 18 -8.172 -2.394 6.986 1.00 0.00 S ATOM 232 CE MET A 18 -8.065 -3.273 5.430 1.00 0.00 C ATOM 0 H MET A 18 -10.184 -6.673 8.794 1.00 0.00 H new ATOM 0 HA MET A 18 -11.583 -4.270 9.317 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.167 -4.339 9.035 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.322 -5.001 7.420 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.505 -2.875 6.736 1.00 0.00 H new ATOM 0 HG3 MET A 18 -10.151 -2.223 8.324 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.328 -2.789 4.789 1.00 0.00 H new ATOM 0 HE2 MET A 18 -7.764 -4.304 5.615 1.00 0.00 H new ATOM 0 HE3 MET A 18 -9.037 -3.261 4.938 1.00 0.00 H new ATOM 242 N ARG A 19 -11.834 -5.452 6.231 1.00 0.00 N ATOM 243 CA ARG A 19 -12.646 -5.398 5.022 1.00 0.00 C ATOM 244 C ARG A 19 -14.133 -5.407 5.364 1.00 0.00 C ATOM 245 O ARG A 19 -14.950 -4.843 4.638 1.00 0.00 O ATOM 246 CB ARG A 19 -12.315 -6.578 4.106 1.00 0.00 C ATOM 247 CG ARG A 19 -10.994 -6.426 3.370 1.00 0.00 C ATOM 248 CD ARG A 19 -10.785 -7.547 2.364 1.00 0.00 C ATOM 249 NE ARG A 19 -11.692 -7.435 1.224 1.00 0.00 N ATOM 250 CZ ARG A 19 -11.656 -8.248 0.174 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.763 -9.227 0.120 1.00 0.00 N ATOM 252 NH2 ARG A 19 -12.514 -8.083 -0.824 1.00 0.00 N ATOM 0 H ARG A 19 -11.053 -6.107 6.186 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.416 -4.468 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.287 -7.491 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.116 -6.697 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.971 -5.465 2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.174 -6.423 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.754 -7.529 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.937 -8.508 2.855 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.391 -6.692 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.102 -9.357 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.737 -9.850 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.202 -7.331 -0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.485 -8.708 -1.630 1.00 0.00 H new ATOM 266 N ASN A 20 -14.475 -6.051 6.475 1.00 0.00 N ATOM 267 CA ASN A 20 -15.864 -6.135 6.913 1.00 0.00 C ATOM 268 C ASN A 20 -16.390 -4.761 7.317 1.00 0.00 C ATOM 269 O ASN A 20 -17.217 -4.172 6.621 1.00 0.00 O ATOM 270 CB ASN A 20 -15.992 -7.109 8.086 1.00 0.00 C ATOM 271 CG ASN A 20 -15.705 -8.542 7.682 1.00 0.00 C ATOM 272 OD1 ASN A 20 -15.807 -8.900 6.508 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.345 -9.370 8.656 1.00 0.00 N ATOM 0 H ASN A 20 -13.810 -6.522 7.088 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.462 -6.502 6.079 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.303 -6.813 8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.999 -7.046 8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.140 -10.347 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.274 -9.029 9.615 1.00 0.00 H new ATOM 280 N ASP A 21 -15.905 -4.257 8.447 1.00 0.00 N ATOM 281 CA ASP A 21 -16.325 -2.952 8.944 1.00 0.00 C ATOM 282 C ASP A 21 -15.982 -1.854 7.943 1.00 0.00 C ATOM 283 O ASP A 21 -16.568 -0.770 7.971 1.00 0.00 O ATOM 284 CB ASP A 21 -15.661 -2.658 10.290 1.00 0.00 C ATOM 285 CG ASP A 21 -16.525 -1.792 11.185 1.00 0.00 C ATOM 286 OD1 ASP A 21 -16.894 -0.679 10.756 1.00 0.00 O ATOM 287 OD2 ASP A 21 -16.832 -2.227 12.315 1.00 0.00 O ATOM 0 H ASP A 21 -15.221 -4.732 9.036 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.407 -2.972 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.445 -3.598 10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.706 -2.160 10.120 1.00 0.00 H new ATOM 292 N ILE A 22 -15.031 -2.140 7.060 1.00 0.00 N ATOM 293 CA ILE A 22 -14.612 -1.176 6.050 1.00 0.00 C ATOM 294 C ILE A 22 -15.549 -1.196 4.848 1.00 0.00 C ATOM 295 O ILE A 22 -15.837 -0.157 4.255 1.00 0.00 O ATOM 296 CB ILE A 22 -13.174 -1.452 5.571 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.166 -0.739 6.475 1.00 0.00 C ATOM 298 CG2 ILE A 22 -13.004 -1.010 4.126 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.182 0.766 6.327 1.00 0.00 C ATOM 0 H ILE A 22 -14.536 -3.031 7.024 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.648 -0.193 6.519 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.987 -2.524 5.627 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.376 -0.996 7.513 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.165 -1.108 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.983 -1.211 3.802 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.701 -1.559 3.493 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.206 0.058 4.046 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.443 1.205 6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.943 1.033 5.298 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.172 1.146 6.579 1.00 0.00 H new ATOM 311 N ALA A 23 -16.024 -2.386 4.495 1.00 0.00 N ATOM 312 CA ALA A 23 -16.932 -2.541 3.366 1.00 0.00 C ATOM 313 C ALA A 23 -18.370 -2.235 3.771 1.00 0.00 C ATOM 314 O ALA A 23 -19.218 -1.955 2.924 1.00 0.00 O ATOM 315 CB ALA A 23 -16.831 -3.949 2.796 1.00 0.00 C ATOM 0 H ALA A 23 -15.795 -3.256 4.975 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.639 -1.827 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.515 -4.050 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.811 -4.133 2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.095 -4.673 3.567 1.00 0.00 H new ATOM 321 N SER A 24 -18.638 -2.291 5.072 1.00 0.00 N ATOM 322 CA SER A 24 -19.975 -2.024 5.590 1.00 0.00 C ATOM 323 C SER A 24 -20.116 -0.561 5.999 1.00 0.00 C ATOM 324 O SER A 24 -21.197 0.021 5.901 1.00 0.00 O ATOM 325 CB SER A 24 -20.272 -2.930 6.786 1.00 0.00 C ATOM 326 OG SER A 24 -21.666 -3.130 6.940 1.00 0.00 O ATOM 0 H SER A 24 -17.947 -2.519 5.787 1.00 0.00 H new ATOM 0 HA SER A 24 -20.694 -2.233 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.776 -3.891 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.863 -2.486 7.693 1.00 0.00 H new ATOM 0 HG SER A 24 -21.830 -3.714 7.710 1.00 0.00 H new ATOM 332 N HIS A 25 -19.016 0.029 6.456 1.00 0.00 N ATOM 333 CA HIS A 25 -19.017 1.425 6.880 1.00 0.00 C ATOM 334 C HIS A 25 -17.810 2.165 6.312 1.00 0.00 C ATOM 335 O HIS A 25 -17.044 2.801 7.036 1.00 0.00 O ATOM 336 CB HIS A 25 -19.014 1.516 8.406 1.00 0.00 C ATOM 337 CG HIS A 25 -20.383 1.457 9.012 1.00 0.00 C ATOM 338 ND1 HIS A 25 -21.046 2.570 9.484 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.213 0.409 9.221 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.225 2.208 9.958 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.352 0.902 9.809 1.00 0.00 N ATOM 0 H HIS A 25 -18.113 -0.437 6.542 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.923 1.895 6.497 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.412 0.702 8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.533 2.447 8.705 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -21.016 -0.623 8.972 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.960 2.868 10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.164 0.350 10.086 1.00 0.00 H new ATOM 349 N PRO A 26 -17.634 2.081 4.985 1.00 0.00 N ATOM 350 CA PRO A 26 -16.522 2.736 4.291 1.00 0.00 C ATOM 351 C PRO A 26 -16.357 4.194 4.707 1.00 0.00 C ATOM 352 O PRO A 26 -17.326 4.894 5.000 1.00 0.00 O ATOM 353 CB PRO A 26 -16.920 2.643 2.816 1.00 0.00 C ATOM 354 CG PRO A 26 -17.811 1.452 2.738 1.00 0.00 C ATOM 355 CD PRO A 26 -18.508 1.340 4.060 1.00 0.00 C ATOM 0 HA PRO A 26 -15.566 2.265 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.436 3.545 2.488 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.045 2.525 2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.533 1.563 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.234 0.551 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.508 1.772 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.622 0.300 4.365 1.00 0.00 H new ATOM 363 N PRO A 27 -15.101 4.664 4.734 1.00 0.00 N ATOM 364 CA PRO A 27 -14.780 6.044 5.112 1.00 0.00 C ATOM 365 C PRO A 27 -15.240 7.053 4.066 1.00 0.00 C ATOM 366 O PRO A 27 -15.520 6.694 2.922 1.00 0.00 O ATOM 367 CB PRO A 27 -13.253 6.037 5.214 1.00 0.00 C ATOM 368 CG PRO A 27 -12.818 4.929 4.318 1.00 0.00 C ATOM 369 CD PRO A 27 -13.897 3.885 4.397 1.00 0.00 C ATOM 0 HA PRO A 27 -15.281 6.342 6.033 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.831 6.991 4.898 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.926 5.868 6.240 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.691 5.282 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.858 4.523 4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -14.013 3.355 3.452 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.677 3.136 5.158 1.00 0.00 H new ATOM 377 N VAL A 28 -15.315 8.319 4.465 1.00 0.00 N ATOM 378 CA VAL A 28 -15.739 9.382 3.561 1.00 0.00 C ATOM 379 C VAL A 28 -14.581 9.858 2.691 1.00 0.00 C ATOM 380 O VAL A 28 -13.532 10.251 3.199 1.00 0.00 O ATOM 381 CB VAL A 28 -16.312 10.583 4.336 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.620 11.732 3.389 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.555 10.172 5.111 1.00 0.00 C ATOM 0 H VAL A 28 -15.088 8.633 5.408 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.519 8.964 2.925 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.562 10.924 5.050 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.024 12.572 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.705 12.042 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.352 11.408 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.947 11.033 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.311 9.805 4.417 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.298 9.384 5.819 1.00 0.00 H new ATOM 393 N GLU A 29 -14.781 9.820 1.377 1.00 0.00 N ATOM 394 CA GLU A 29 -13.752 10.248 0.436 1.00 0.00 C ATOM 395 C GLU A 29 -13.357 11.701 0.686 1.00 0.00 C ATOM 396 O GLU A 29 -14.172 12.611 0.544 1.00 0.00 O ATOM 397 CB GLU A 29 -14.245 10.083 -1.003 1.00 0.00 C ATOM 398 CG GLU A 29 -15.149 11.211 -1.470 1.00 0.00 C ATOM 399 CD GLU A 29 -15.890 10.873 -2.749 1.00 0.00 C ATOM 400 OE1 GLU A 29 -16.425 9.749 -2.845 1.00 0.00 O ATOM 401 OE2 GLU A 29 -15.936 11.733 -3.654 1.00 0.00 O ATOM 0 H GLU A 29 -15.645 9.498 0.941 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.874 9.619 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.384 10.020 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.783 9.139 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.871 11.441 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.552 12.109 -1.627 1.00 0.00 H new ATOM 408 N GLY A 30 -12.098 11.910 1.060 1.00 0.00 N ATOM 409 CA GLY A 30 -11.616 13.252 1.324 1.00 0.00 C ATOM 410 C GLY A 30 -11.777 13.650 2.778 1.00 0.00 C ATOM 411 O GLY A 30 -11.842 14.837 3.100 1.00 0.00 O ATOM 0 H GLY A 30 -11.404 11.173 1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.564 13.318 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.156 13.959 0.695 1.00 0.00 H new ATOM 415 N SER A 31 -11.842 12.657 3.658 1.00 0.00 N ATOM 416 CA SER A 31 -12.002 12.909 5.086 1.00 0.00 C ATOM 417 C SER A 31 -10.658 12.841 5.804 1.00 0.00 C ATOM 418 O SER A 31 -10.360 13.665 6.668 1.00 0.00 O ATOM 419 CB SER A 31 -12.972 11.897 5.698 1.00 0.00 C ATOM 420 OG SER A 31 -12.284 10.752 6.170 1.00 0.00 O ATOM 0 H SER A 31 -11.786 11.670 3.408 1.00 0.00 H new ATOM 0 HA SER A 31 -12.409 13.913 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.517 12.362 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.710 11.600 4.953 1.00 0.00 H new ATOM 0 HG SER A 31 -12.926 10.121 6.558 1.00 0.00 H new ATOM 426 N TYR A 32 -9.849 11.852 5.439 1.00 0.00 N ATOM 427 CA TYR A 32 -8.537 11.673 6.049 1.00 0.00 C ATOM 428 C TYR A 32 -7.457 12.378 5.234 1.00 0.00 C ATOM 429 O TYR A 32 -7.370 12.207 4.018 1.00 0.00 O ATOM 430 CB TYR A 32 -8.208 10.184 6.173 1.00 0.00 C ATOM 431 CG TYR A 32 -6.732 9.903 6.341 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.867 9.949 5.254 1.00 0.00 C ATOM 433 CD2 TYR A 32 -6.202 9.591 7.587 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.518 9.691 5.403 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.854 9.333 7.746 1.00 0.00 C ATOM 436 CZ TYR A 32 -4.016 9.384 6.651 1.00 0.00 C ATOM 437 OH TYR A 32 -2.673 9.129 6.804 1.00 0.00 O ATOM 0 H TYR A 32 -10.079 11.162 4.724 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.563 12.117 7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.747 9.771 7.025 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.569 9.665 5.285 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.256 10.191 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.855 9.549 8.446 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.860 9.729 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.458 9.093 8.722 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.416 8.374 6.234 1.00 0.00 H new ATOM 447 N ALA A 33 -6.635 13.171 5.914 1.00 0.00 N ATOM 448 CA ALA A 33 -5.559 13.900 5.256 1.00 0.00 C ATOM 449 C ALA A 33 -4.232 13.160 5.389 1.00 0.00 C ATOM 450 O ALA A 33 -3.665 13.045 6.476 1.00 0.00 O ATOM 451 CB ALA A 33 -5.443 15.304 5.832 1.00 0.00 C ATOM 0 H ALA A 33 -6.694 13.324 6.921 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.799 13.973 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.635 15.837 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.380 15.839 5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.230 15.243 6.899 1.00 0.00 H new ATOM 457 N PRO A 34 -3.724 12.645 4.260 1.00 0.00 N ATOM 458 CA PRO A 34 -2.459 11.907 4.225 1.00 0.00 C ATOM 459 C PRO A 34 -1.254 12.809 4.471 1.00 0.00 C ATOM 460 O PRO A 34 -1.163 13.903 3.913 1.00 0.00 O ATOM 461 CB PRO A 34 -2.419 11.337 2.805 1.00 0.00 C ATOM 462 CG PRO A 34 -3.266 12.262 2.002 1.00 0.00 C ATOM 463 CD PRO A 34 -4.347 12.744 2.929 1.00 0.00 C ATOM 0 HA PRO A 34 -2.409 11.147 5.005 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.399 11.300 2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.807 10.319 2.776 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.678 13.097 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.692 11.751 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.646 13.767 2.700 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.242 12.127 2.857 1.00 0.00 H new ATOM 471 N ARG A 35 -0.333 12.344 5.308 1.00 0.00 N ATOM 472 CA ARG A 35 0.866 13.110 5.627 1.00 0.00 C ATOM 473 C ARG A 35 2.118 12.251 5.471 1.00 0.00 C ATOM 474 O ARG A 35 2.081 11.039 5.686 1.00 0.00 O ATOM 475 CB ARG A 35 0.783 13.656 7.054 1.00 0.00 C ATOM 476 CG ARG A 35 -0.521 14.377 7.355 1.00 0.00 C ATOM 477 CD ARG A 35 -0.424 15.860 7.033 1.00 0.00 C ATOM 478 NE ARG A 35 -1.619 16.589 7.448 1.00 0.00 N ATOM 479 CZ ARG A 35 -1.845 17.863 7.145 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.961 18.545 6.430 1.00 0.00 N ATOM 481 NH2 ARG A 35 -2.956 18.458 7.559 1.00 0.00 N ATOM 0 H ARG A 35 -0.394 11.441 5.778 1.00 0.00 H new ATOM 0 HA ARG A 35 0.930 13.945 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.903 12.832 7.757 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.614 14.341 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.328 13.929 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.775 14.248 8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.449 16.283 7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.274 15.989 5.961 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.319 16.093 8.001 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.105 18.092 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.137 19.523 6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.638 17.938 8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.128 19.436 7.326 1.00 0.00 H new ATOM 495 N ARG A 36 3.223 12.887 5.097 1.00 0.00 N ATOM 496 CA ARG A 36 4.485 12.182 4.911 1.00 0.00 C ATOM 497 C ARG A 36 4.896 11.456 6.190 1.00 0.00 C ATOM 498 O ARG A 36 5.220 12.086 7.196 1.00 0.00 O ATOM 499 CB ARG A 36 5.584 13.160 4.492 1.00 0.00 C ATOM 500 CG ARG A 36 6.950 12.511 4.337 1.00 0.00 C ATOM 501 CD ARG A 36 7.848 13.320 3.414 1.00 0.00 C ATOM 502 NE ARG A 36 8.604 14.338 4.140 1.00 0.00 N ATOM 503 CZ ARG A 36 9.470 15.162 3.562 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.690 15.088 2.256 1.00 0.00 N ATOM 505 NH2 ARG A 36 10.119 16.062 4.289 1.00 0.00 N ATOM 0 H ARG A 36 3.270 13.890 4.917 1.00 0.00 H new ATOM 0 HA ARG A 36 4.346 11.443 4.122 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.303 13.626 3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.652 13.957 5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.422 12.416 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.832 11.503 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.540 12.650 2.903 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.241 13.799 2.645 1.00 0.00 H new ATOM 0 HE ARG A 36 8.458 14.420 5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.193 14.397 1.694 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.356 15.722 1.814 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.953 16.122 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.784 16.694 3.843 1.00 0.00 H new ATOM 519 N GLY A 37 4.879 10.128 6.142 1.00 0.00 N ATOM 520 CA GLY A 37 5.251 9.339 7.302 1.00 0.00 C ATOM 521 C GLY A 37 4.062 9.003 8.180 1.00 0.00 C ATOM 522 O GLY A 37 4.193 8.897 9.399 1.00 0.00 O ATOM 0 H GLY A 37 4.614 9.584 5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.727 8.416 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.989 9.887 7.889 1.00 0.00 H new ATOM 526 N GLU A 38 2.898 8.837 7.559 1.00 0.00 N ATOM 527 CA GLU A 38 1.680 8.514 8.294 1.00 0.00 C ATOM 528 C GLU A 38 1.022 7.258 7.731 1.00 0.00 C ATOM 529 O GLU A 38 0.941 7.078 6.515 1.00 0.00 O ATOM 530 CB GLU A 38 0.699 9.686 8.239 1.00 0.00 C ATOM 531 CG GLU A 38 0.889 10.693 9.362 1.00 0.00 C ATOM 532 CD GLU A 38 0.522 10.128 10.720 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.319 9.206 10.772 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.075 10.609 11.731 1.00 0.00 O ATOM 0 H GLU A 38 2.773 8.921 6.550 1.00 0.00 H new ATOM 0 HA GLU A 38 1.952 8.326 9.333 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.809 10.196 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.319 9.299 8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.928 11.022 9.378 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.279 11.574 9.162 1.00 0.00 H new ATOM 541 N PHE A 39 0.553 6.392 8.623 1.00 0.00 N ATOM 542 CA PHE A 39 -0.097 5.152 8.216 1.00 0.00 C ATOM 543 C PHE A 39 -1.585 5.376 7.961 1.00 0.00 C ATOM 544 O PHE A 39 -2.209 6.237 8.582 1.00 0.00 O ATOM 545 CB PHE A 39 0.091 4.076 9.288 1.00 0.00 C ATOM 546 CG PHE A 39 1.485 3.518 9.339 1.00 0.00 C ATOM 547 CD1 PHE A 39 1.916 2.609 8.386 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.364 3.904 10.338 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.198 2.094 8.431 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.647 3.392 10.388 1.00 0.00 C ATOM 551 CZ PHE A 39 4.064 2.486 9.432 1.00 0.00 C ATOM 0 H PHE A 39 0.611 6.526 9.632 1.00 0.00 H new ATOM 0 HA PHE A 39 0.367 4.816 7.289 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.159 4.497 10.262 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.611 3.263 9.102 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.243 2.300 7.600 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.043 4.613 11.086 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.522 1.385 7.683 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.322 3.700 11.173 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.066 2.085 9.468 1.00 0.00 H new ATOM 561 N CYS A 40 -2.146 4.597 7.043 1.00 0.00 N ATOM 562 CA CYS A 40 -3.560 4.710 6.703 1.00 0.00 C ATOM 563 C CYS A 40 -3.973 3.617 5.724 1.00 0.00 C ATOM 564 O CYS A 40 -3.133 2.871 5.220 1.00 0.00 O ATOM 565 CB CYS A 40 -3.852 6.086 6.103 1.00 0.00 C ATOM 566 SG CYS A 40 -2.771 6.537 4.727 1.00 0.00 S ATOM 0 H CYS A 40 -1.643 3.880 6.520 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.140 4.590 7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.887 6.109 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.759 6.839 6.886 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.936 7.794 4.439 1.00 0.00 H new ATOM 572 N ILE A 41 -5.273 3.526 5.461 1.00 0.00 N ATOM 573 CA ILE A 41 -5.797 2.523 4.542 1.00 0.00 C ATOM 574 C ILE A 41 -6.038 3.117 3.159 1.00 0.00 C ATOM 575 O ILE A 41 -6.550 4.228 3.030 1.00 0.00 O ATOM 576 CB ILE A 41 -7.113 1.916 5.064 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.190 2.997 5.177 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.889 1.242 6.409 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.568 2.449 5.476 1.00 0.00 C ATOM 0 H ILE A 41 -5.982 4.134 5.871 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.046 1.736 4.471 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.454 1.162 4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.908 3.698 5.963 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.227 3.561 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.828 0.818 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.151 0.448 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.527 1.977 7.128 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.280 3.272 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.871 1.770 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.548 1.910 6.423 1.00 0.00 H new ATOM 591 N ALA A 42 -5.666 2.367 2.126 1.00 0.00 N ATOM 592 CA ALA A 42 -5.845 2.817 0.752 1.00 0.00 C ATOM 593 C ALA A 42 -6.799 1.901 -0.007 1.00 0.00 C ATOM 594 O ALA A 42 -6.845 0.695 0.239 1.00 0.00 O ATOM 595 CB ALA A 42 -4.501 2.889 0.041 1.00 0.00 C ATOM 0 H ALA A 42 -5.239 1.445 2.216 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.285 3.814 0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.650 3.227 -0.985 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.850 3.590 0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.039 1.902 0.035 1.00 0.00 H new ATOM 601 N LYS A 43 -7.560 2.479 -0.929 1.00 0.00 N ATOM 602 CA LYS A 43 -8.513 1.715 -1.725 1.00 0.00 C ATOM 603 C LYS A 43 -7.866 1.206 -3.009 1.00 0.00 C ATOM 604 O LYS A 43 -7.387 1.991 -3.828 1.00 0.00 O ATOM 605 CB LYS A 43 -9.733 2.575 -2.062 1.00 0.00 C ATOM 606 CG LYS A 43 -11.018 1.779 -2.205 1.00 0.00 C ATOM 607 CD LYS A 43 -12.233 2.689 -2.276 1.00 0.00 C ATOM 608 CE LYS A 43 -13.529 1.893 -2.248 1.00 0.00 C ATOM 609 NZ LYS A 43 -13.970 1.504 -3.616 1.00 0.00 N ATOM 0 H LYS A 43 -7.535 3.476 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.833 0.856 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.865 3.325 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.543 3.112 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.969 1.166 -3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.121 1.098 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.215 3.387 -1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.190 3.284 -3.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.392 0.997 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.309 2.485 -1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.280 0.511 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.760 2.112 -3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.178 1.616 -4.281 1.00 0.00 H new ATOM 623 N PHE A 44 -7.855 -0.112 -3.179 1.00 0.00 N ATOM 624 CA PHE A 44 -7.267 -0.725 -4.364 1.00 0.00 C ATOM 625 C PHE A 44 -8.247 -0.699 -5.533 1.00 0.00 C ATOM 626 O PHE A 44 -9.461 -0.625 -5.340 1.00 0.00 O ATOM 627 CB PHE A 44 -6.851 -2.167 -4.065 1.00 0.00 C ATOM 628 CG PHE A 44 -5.888 -2.733 -5.068 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.596 -2.240 -5.163 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.273 -3.759 -5.916 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.708 -2.759 -6.086 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.389 -4.282 -6.841 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.104 -3.782 -6.925 1.00 0.00 C ATOM 0 H PHE A 44 -8.247 -0.776 -2.511 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.384 -0.149 -4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.398 -2.208 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.742 -2.795 -4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.280 -1.441 -4.508 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.276 -4.155 -5.853 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.705 -2.365 -6.151 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.703 -5.080 -7.497 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.411 -4.190 -7.645 1.00 0.00 H new ATOM 643 N VAL A 45 -7.711 -0.759 -6.748 1.00 0.00 N ATOM 644 CA VAL A 45 -8.537 -0.743 -7.950 1.00 0.00 C ATOM 645 C VAL A 45 -9.768 -1.628 -7.783 1.00 0.00 C ATOM 646 O VAL A 45 -10.818 -1.365 -8.370 1.00 0.00 O ATOM 647 CB VAL A 45 -7.743 -1.213 -9.183 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.510 -0.347 -9.386 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.359 -2.678 -9.042 1.00 0.00 C ATOM 0 H VAL A 45 -6.708 -0.819 -6.926 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.853 0.289 -8.103 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.378 -1.111 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.962 -0.694 -10.262 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.814 0.689 -9.535 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.869 -0.414 -8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.799 -2.994 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.742 -2.808 -8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.261 -3.283 -8.950 1.00 0.00 H new ATOM 659 N ASP A 46 -9.631 -2.676 -6.979 1.00 0.00 N ATOM 660 CA ASP A 46 -10.732 -3.600 -6.733 1.00 0.00 C ATOM 661 C ASP A 46 -11.551 -3.159 -5.524 1.00 0.00 C ATOM 662 O ASP A 46 -12.137 -3.984 -4.824 1.00 0.00 O ATOM 663 CB ASP A 46 -10.198 -5.016 -6.514 1.00 0.00 C ATOM 664 CG ASP A 46 -9.945 -5.748 -7.817 1.00 0.00 C ATOM 665 OD1 ASP A 46 -9.156 -5.238 -8.640 1.00 0.00 O ATOM 666 OD2 ASP A 46 -10.536 -6.830 -8.014 1.00 0.00 O ATOM 0 H ASP A 46 -8.768 -2.907 -6.486 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.380 -3.596 -7.609 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.271 -4.967 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.912 -5.582 -5.916 1.00 0.00 H new ATOM 671 N GLY A 47 -11.587 -1.851 -5.285 1.00 0.00 N ATOM 672 CA GLY A 47 -12.336 -1.324 -4.159 1.00 0.00 C ATOM 673 C GLY A 47 -12.000 -2.025 -2.859 1.00 0.00 C ATOM 674 O GLY A 47 -12.816 -2.064 -1.938 1.00 0.00 O ATOM 0 H GLY A 47 -11.111 -1.148 -5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.130 -0.258 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.403 -1.425 -4.357 1.00 0.00 H new ATOM 678 N GLU A 48 -10.795 -2.583 -2.783 1.00 0.00 N ATOM 679 CA GLU A 48 -10.355 -3.289 -1.585 1.00 0.00 C ATOM 680 C GLU A 48 -9.403 -2.425 -0.763 1.00 0.00 C ATOM 681 O GLU A 48 -8.362 -1.990 -1.255 1.00 0.00 O ATOM 682 CB GLU A 48 -9.669 -4.603 -1.965 1.00 0.00 C ATOM 683 CG GLU A 48 -10.633 -5.676 -2.443 1.00 0.00 C ATOM 684 CD GLU A 48 -9.922 -6.863 -3.065 1.00 0.00 C ATOM 685 OE1 GLU A 48 -8.946 -6.645 -3.813 1.00 0.00 O ATOM 686 OE2 GLU A 48 -10.343 -8.009 -2.803 1.00 0.00 O ATOM 0 H GLU A 48 -10.107 -2.560 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.234 -3.508 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.938 -4.408 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.119 -4.979 -1.102 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.236 -6.018 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.319 -5.245 -3.172 1.00 0.00 H new ATOM 693 N TRP A 49 -9.769 -2.180 0.490 1.00 0.00 N ATOM 694 CA TRP A 49 -8.948 -1.367 1.380 1.00 0.00 C ATOM 695 C TRP A 49 -7.765 -2.168 1.913 1.00 0.00 C ATOM 696 O TRP A 49 -7.900 -3.347 2.242 1.00 0.00 O ATOM 697 CB TRP A 49 -9.790 -0.842 2.545 1.00 0.00 C ATOM 698 CG TRP A 49 -10.759 0.228 2.142 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.054 0.054 1.746 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.509 1.637 2.093 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.625 1.270 1.455 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.697 2.257 1.661 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.397 2.436 2.375 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.803 3.636 1.503 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.503 3.804 2.218 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.699 4.394 1.786 1.00 0.00 C ATOM 0 H TRP A 49 -10.628 -2.532 0.912 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.563 -0.523 0.808 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.340 -1.672 2.989 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.127 -0.450 3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.556 -0.899 1.672 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.584 1.414 1.137 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.471 1.991 2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.724 4.092 1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.649 4.430 2.432 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.750 5.467 1.674 1.00 0.00 H new ATOM 717 N TYR A 50 -6.608 -1.522 1.994 1.00 0.00 N ATOM 718 CA TYR A 50 -5.400 -2.176 2.485 1.00 0.00 C ATOM 719 C TYR A 50 -4.534 -1.199 3.275 1.00 0.00 C ATOM 720 O TYR A 50 -4.618 0.015 3.086 1.00 0.00 O ATOM 721 CB TYR A 50 -4.600 -2.756 1.318 1.00 0.00 C ATOM 722 CG TYR A 50 -5.342 -3.823 0.546 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.583 -5.073 1.104 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.804 -3.581 -0.742 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.260 -6.050 0.401 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.484 -4.552 -1.451 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.709 -5.785 -0.876 1.00 0.00 C ATOM 728 OH TYR A 50 -7.386 -6.756 -1.578 1.00 0.00 O ATOM 0 H TYR A 50 -6.480 -0.546 1.726 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.700 -2.986 3.150 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.329 -1.949 0.637 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.670 -3.176 1.700 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.235 -5.284 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.628 -2.617 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.437 -7.017 0.849 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.838 -4.347 -2.451 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.550 -6.444 -2.492 1.00 0.00 H new ATOM 738 N ARG A 51 -3.702 -1.738 4.159 1.00 0.00 N ATOM 739 CA ARG A 51 -2.820 -0.915 4.978 1.00 0.00 C ATOM 740 C ARG A 51 -1.650 -0.385 4.154 1.00 0.00 C ATOM 741 O ARG A 51 -1.030 -1.125 3.391 1.00 0.00 O ATOM 742 CB ARG A 51 -2.296 -1.721 6.168 1.00 0.00 C ATOM 743 CG ARG A 51 -3.227 -1.709 7.369 1.00 0.00 C ATOM 744 CD ARG A 51 -2.461 -1.892 8.670 1.00 0.00 C ATOM 745 NE ARG A 51 -2.335 -3.300 9.038 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.363 -4.091 8.596 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.438 -3.614 7.775 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.316 -5.361 8.975 1.00 0.00 N ATOM 0 H ARG A 51 -3.620 -2.741 4.327 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.395 -0.066 5.347 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.134 -2.752 5.855 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.326 -1.323 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.774 -0.767 7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.966 -2.504 7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.468 -1.453 8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.970 -1.353 9.469 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.031 -3.698 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.471 -2.638 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.307 -4.223 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.026 -5.731 9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.570 -5.967 8.635 1.00 0.00 H new ATOM 762 N ALA A 52 -1.355 0.901 4.314 1.00 0.00 N ATOM 763 CA ALA A 52 -0.259 1.529 3.587 1.00 0.00 C ATOM 764 C ALA A 52 0.287 2.732 4.348 1.00 0.00 C ATOM 765 O ALA A 52 -0.436 3.379 5.106 1.00 0.00 O ATOM 766 CB ALA A 52 -0.718 1.946 2.197 1.00 0.00 C ATOM 0 H ALA A 52 -1.860 1.528 4.941 1.00 0.00 H new ATOM 0 HA ALA A 52 0.544 0.799 3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.111 2.414 1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.053 1.067 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.541 2.656 2.283 1.00 0.00 H new ATOM 772 N ARG A 53 1.567 3.026 4.143 1.00 0.00 N ATOM 773 CA ARG A 53 2.210 4.150 4.812 1.00 0.00 C ATOM 774 C ARG A 53 2.563 5.248 3.813 1.00 0.00 C ATOM 775 O ARG A 53 3.310 5.020 2.862 1.00 0.00 O ATOM 776 CB ARG A 53 3.472 3.684 5.540 1.00 0.00 C ATOM 777 CG ARG A 53 4.138 4.774 6.363 1.00 0.00 C ATOM 778 CD ARG A 53 5.335 4.239 7.133 1.00 0.00 C ATOM 779 NE ARG A 53 5.617 5.030 8.327 1.00 0.00 N ATOM 780 CZ ARG A 53 6.665 4.823 9.116 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.527 3.855 8.838 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.854 5.585 10.186 1.00 0.00 N ATOM 0 H ARG A 53 2.179 2.501 3.519 1.00 0.00 H new ATOM 0 HA ARG A 53 1.508 4.557 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.217 2.851 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.185 3.307 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.459 5.583 5.706 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.415 5.198 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.148 3.204 7.420 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.211 4.237 6.485 1.00 0.00 H new ATOM 0 HE ARG A 53 4.973 5.784 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.386 3.267 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.331 3.698 9.446 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.194 6.331 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.660 5.424 10.791 1.00 0.00 H new ATOM 796 N VAL A 54 2.019 6.441 4.035 1.00 0.00 N ATOM 797 CA VAL A 54 2.276 7.574 3.155 1.00 0.00 C ATOM 798 C VAL A 54 3.772 7.779 2.946 1.00 0.00 C ATOM 799 O VAL A 54 4.513 8.025 3.897 1.00 0.00 O ATOM 800 CB VAL A 54 1.665 8.871 3.717 1.00 0.00 C ATOM 801 CG1 VAL A 54 1.925 10.036 2.774 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.174 8.695 3.962 1.00 0.00 C ATOM 0 H VAL A 54 1.398 6.647 4.817 1.00 0.00 H new ATOM 0 HA VAL A 54 1.806 7.345 2.198 1.00 0.00 H new ATOM 0 HB VAL A 54 2.143 9.094 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.486 10.944 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.000 10.174 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.476 9.826 1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.241 9.621 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.322 8.448 3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.016 7.890 4.679 1.00 0.00 H new ATOM 812 N GLU A 55 4.209 7.676 1.694 1.00 0.00 N ATOM 813 CA GLU A 55 5.618 7.850 1.361 1.00 0.00 C ATOM 814 C GLU A 55 5.898 9.281 0.910 1.00 0.00 C ATOM 815 O GLU A 55 6.927 9.863 1.255 1.00 0.00 O ATOM 816 CB GLU A 55 6.030 6.868 0.263 1.00 0.00 C ATOM 817 CG GLU A 55 5.895 5.410 0.668 1.00 0.00 C ATOM 818 CD GLU A 55 6.433 4.459 -0.384 1.00 0.00 C ATOM 819 OE1 GLU A 55 5.851 4.404 -1.487 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.436 3.771 -0.103 1.00 0.00 O ATOM 0 H GLU A 55 3.608 7.473 0.895 1.00 0.00 H new ATOM 0 HA GLU A 55 6.204 7.649 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.420 7.048 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.065 7.064 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.426 5.247 1.606 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.845 5.184 0.853 1.00 0.00 H new ATOM 827 N LYS A 56 4.975 9.842 0.137 1.00 0.00 N ATOM 828 CA LYS A 56 5.119 11.205 -0.362 1.00 0.00 C ATOM 829 C LYS A 56 3.766 11.784 -0.764 1.00 0.00 C ATOM 830 O LYS A 56 3.079 11.240 -1.628 1.00 0.00 O ATOM 831 CB LYS A 56 6.073 11.233 -1.559 1.00 0.00 C ATOM 832 CG LYS A 56 5.753 12.323 -2.566 1.00 0.00 C ATOM 833 CD LYS A 56 6.889 12.520 -3.556 1.00 0.00 C ATOM 834 CE LYS A 56 6.653 13.733 -4.442 1.00 0.00 C ATOM 835 NZ LYS A 56 7.932 14.341 -4.902 1.00 0.00 N ATOM 0 H LYS A 56 4.118 9.374 -0.158 1.00 0.00 H new ATOM 0 HA LYS A 56 5.532 11.817 0.440 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.092 11.372 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.042 10.266 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.841 12.066 -3.104 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.560 13.259 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.828 12.641 -3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.991 11.630 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.058 13.441 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.074 14.476 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.728 15.165 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.489 14.643 -4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.473 13.640 -5.447 1.00 0.00 H new ATOM 849 N VAL A 57 3.391 12.891 -0.132 1.00 0.00 N ATOM 850 CA VAL A 57 2.121 13.545 -0.425 1.00 0.00 C ATOM 851 C VAL A 57 2.308 14.688 -1.416 1.00 0.00 C ATOM 852 O VAL A 57 2.804 15.756 -1.060 1.00 0.00 O ATOM 853 CB VAL A 57 1.463 14.093 0.855 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.129 14.749 0.532 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.286 12.983 1.880 1.00 0.00 C ATOM 0 H VAL A 57 3.948 13.354 0.586 1.00 0.00 H new ATOM 0 HA VAL A 57 1.470 12.789 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 57 2.119 14.851 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.321 15.130 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.288 15.573 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.537 14.015 0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.820 13.388 2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.652 12.201 1.463 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.260 12.564 2.134 1.00 0.00 H new ATOM 865 N GLU A 58 1.907 14.455 -2.662 1.00 0.00 N ATOM 866 CA GLU A 58 2.031 15.466 -3.706 1.00 0.00 C ATOM 867 C GLU A 58 0.853 16.436 -3.666 1.00 0.00 C ATOM 868 O GLU A 58 1.031 17.636 -3.455 1.00 0.00 O ATOM 869 CB GLU A 58 2.112 14.803 -5.082 1.00 0.00 C ATOM 870 CG GLU A 58 3.523 14.407 -5.484 1.00 0.00 C ATOM 871 CD GLU A 58 4.398 15.605 -5.801 1.00 0.00 C ATOM 872 OE1 GLU A 58 5.045 16.130 -4.871 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.435 16.016 -6.979 1.00 0.00 O ATOM 0 H GLU A 58 1.494 13.576 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 58 2.948 16.027 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.479 13.915 -5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.708 15.486 -5.830 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.979 13.832 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.479 13.754 -6.355 1.00 0.00 H new ATOM 880 N SER A 59 -0.349 15.908 -3.870 1.00 0.00 N ATOM 881 CA SER A 59 -1.555 16.727 -3.862 1.00 0.00 C ATOM 882 C SER A 59 -2.771 15.899 -3.457 1.00 0.00 C ATOM 883 O SER A 59 -2.760 14.668 -3.505 1.00 0.00 O ATOM 884 CB SER A 59 -1.784 17.349 -5.241 1.00 0.00 C ATOM 885 OG SER A 59 -0.556 17.561 -5.915 1.00 0.00 O ATOM 0 H SER A 59 -0.514 14.916 -4.043 1.00 0.00 H new ATOM 0 HA SER A 59 -1.419 17.523 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.421 16.696 -5.837 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.311 18.297 -5.133 1.00 0.00 H new ATOM 0 HG SER A 59 -0.730 17.958 -6.794 1.00 0.00 H new ATOM 891 N PRO A 60 -3.846 16.589 -3.047 1.00 0.00 N ATOM 892 CA PRO A 60 -5.090 15.939 -2.626 1.00 0.00 C ATOM 893 C PRO A 60 -5.551 14.872 -3.613 1.00 0.00 C ATOM 894 O PRO A 60 -6.379 14.024 -3.284 1.00 0.00 O ATOM 895 CB PRO A 60 -6.095 17.093 -2.578 1.00 0.00 C ATOM 896 CG PRO A 60 -5.266 18.307 -2.337 1.00 0.00 C ATOM 897 CD PRO A 60 -3.929 18.057 -2.964 1.00 0.00 C ATOM 0 HA PRO A 60 -4.975 15.416 -1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.651 17.173 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.826 16.949 -1.783 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.737 19.188 -2.772 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.161 18.497 -1.269 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.857 18.518 -3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.121 18.469 -2.360 1.00 0.00 H new ATOM 905 N ALA A 61 -5.008 14.921 -4.825 1.00 0.00 N ATOM 906 CA ALA A 61 -5.361 13.957 -5.860 1.00 0.00 C ATOM 907 C ALA A 61 -4.244 12.939 -6.067 1.00 0.00 C ATOM 908 O ALA A 61 -4.478 11.838 -6.566 1.00 0.00 O ATOM 909 CB ALA A 61 -5.673 14.674 -7.165 1.00 0.00 C ATOM 0 H ALA A 61 -4.322 15.618 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.251 13.419 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.935 13.942 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.510 15.356 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.798 15.238 -7.488 1.00 0.00 H new ATOM 915 N LYS A 62 -3.029 13.314 -5.681 1.00 0.00 N ATOM 916 CA LYS A 62 -1.875 12.435 -5.823 1.00 0.00 C ATOM 917 C LYS A 62 -1.176 12.233 -4.482 1.00 0.00 C ATOM 918 O LYS A 62 -0.577 13.162 -3.939 1.00 0.00 O ATOM 919 CB LYS A 62 -0.890 13.013 -6.842 1.00 0.00 C ATOM 920 CG LYS A 62 -1.410 12.994 -8.269 1.00 0.00 C ATOM 921 CD LYS A 62 -0.279 12.844 -9.273 1.00 0.00 C ATOM 922 CE LYS A 62 -0.766 12.221 -10.572 1.00 0.00 C ATOM 923 NZ LYS A 62 0.362 11.905 -11.492 1.00 0.00 N ATOM 0 H LYS A 62 -2.818 14.222 -5.267 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.229 11.467 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.654 14.040 -6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.041 12.448 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.116 12.172 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.957 13.915 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.159 13.821 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.510 12.225 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.322 11.309 -10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.457 12.904 -11.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.011 11.482 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.877 12.779 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.008 11.233 -11.031 1.00 0.00 H new ATOM 937 N ILE A 63 -1.256 11.016 -3.956 1.00 0.00 N ATOM 938 CA ILE A 63 -0.628 10.693 -2.680 1.00 0.00 C ATOM 939 C ILE A 63 0.185 9.407 -2.778 1.00 0.00 C ATOM 940 O ILE A 63 -0.372 8.313 -2.869 1.00 0.00 O ATOM 941 CB ILE A 63 -1.675 10.543 -1.560 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.779 11.590 -1.720 1.00 0.00 C ATOM 943 CG2 ILE A 63 -1.012 10.667 -0.197 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.357 12.981 -1.303 1.00 0.00 C ATOM 0 H ILE A 63 -1.749 10.237 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 63 0.037 11.522 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.127 9.554 -1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.099 11.613 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.643 11.288 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.764 10.559 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.259 9.887 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.537 11.644 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.189 13.671 -1.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.065 12.973 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.512 13.303 -1.912 1.00 0.00 H new ATOM 956 N HIS A 64 1.507 9.546 -2.755 1.00 0.00 N ATOM 957 CA HIS A 64 2.398 8.394 -2.838 1.00 0.00 C ATOM 958 C HIS A 64 2.348 7.575 -1.552 1.00 0.00 C ATOM 959 O HIS A 64 2.575 8.098 -0.461 1.00 0.00 O ATOM 960 CB HIS A 64 3.832 8.851 -3.110 1.00 0.00 C ATOM 961 CG HIS A 64 3.974 9.664 -4.360 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.842 9.332 -5.379 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.352 10.800 -4.753 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.748 10.229 -6.344 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.850 11.131 -5.989 1.00 0.00 N ATOM 0 H HIS A 64 1.984 10.444 -2.680 1.00 0.00 H new ATOM 0 HA HIS A 64 2.062 7.764 -3.662 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.184 9.438 -2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.477 7.975 -3.181 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.460 8.521 -5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.603 11.345 -4.198 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.310 10.226 -7.266 1.00 0.00 H new ATOM 973 N VAL A 65 2.049 6.287 -1.688 1.00 0.00 N ATOM 974 CA VAL A 65 1.970 5.395 -0.537 1.00 0.00 C ATOM 975 C VAL A 65 2.565 4.029 -0.859 1.00 0.00 C ATOM 976 O VAL A 65 2.823 3.710 -2.020 1.00 0.00 O ATOM 977 CB VAL A 65 0.514 5.211 -0.069 1.00 0.00 C ATOM 978 CG1 VAL A 65 0.032 6.447 0.674 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.391 4.904 -1.253 1.00 0.00 C ATOM 0 H VAL A 65 1.858 5.838 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 65 2.546 5.859 0.264 1.00 0.00 H new ATOM 0 HB VAL A 65 0.475 4.365 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.998 6.299 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.664 6.617 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.084 7.312 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.416 4.777 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.350 5.728 -1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.057 3.987 -1.738 1.00 0.00 H new ATOM 989 N PHE A 66 2.780 3.224 0.177 1.00 0.00 N ATOM 990 CA PHE A 66 3.346 1.891 0.006 1.00 0.00 C ATOM 991 C PHE A 66 2.602 0.871 0.862 1.00 0.00 C ATOM 992 O PHE A 66 2.607 0.954 2.091 1.00 0.00 O ATOM 993 CB PHE A 66 4.832 1.894 0.370 1.00 0.00 C ATOM 994 CG PHE A 66 5.383 0.525 0.650 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.306 -0.020 1.922 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.977 -0.216 -0.358 1.00 0.00 C ATOM 997 CE1 PHE A 66 5.812 -1.279 2.183 1.00 0.00 C ATOM 998 CE2 PHE A 66 6.484 -1.477 -0.103 1.00 0.00 C ATOM 999 CZ PHE A 66 6.403 -2.008 1.170 1.00 0.00 C ATOM 0 H PHE A 66 2.571 3.472 1.144 1.00 0.00 H new ATOM 0 HA PHE A 66 3.237 1.608 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.397 2.344 -0.446 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.982 2.524 1.247 1.00 0.00 H new ATOM 0 HD1 PHE A 66 4.845 0.546 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.045 0.196 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.745 -1.693 3.178 1.00 0.00 H new ATOM 0 HE2 PHE A 66 6.943 -2.046 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.801 -2.991 1.372 1.00 0.00 H new ATOM 1009 N TYR A 67 1.963 -0.091 0.205 1.00 0.00 N ATOM 1010 CA TYR A 67 1.213 -1.126 0.905 1.00 0.00 C ATOM 1011 C TYR A 67 2.132 -1.963 1.788 1.00 0.00 C ATOM 1012 O TYR A 67 2.982 -2.705 1.293 1.00 0.00 O ATOM 1013 CB TYR A 67 0.491 -2.028 -0.098 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.580 -1.315 -0.892 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.247 -0.477 -1.949 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.926 -1.480 -0.586 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.222 0.177 -2.677 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -2.908 -0.831 -1.309 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.551 -0.003 -2.353 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.525 0.645 -3.077 1.00 0.00 O ATOM 0 H TYR A 67 1.950 -0.175 -0.811 1.00 0.00 H new ATOM 0 HA TYR A 67 0.475 -0.637 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.223 -2.449 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.039 -2.863 0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.792 -0.334 -2.206 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.209 -2.127 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.946 0.826 -3.495 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.949 -0.971 -1.058 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.408 0.410 -2.722 1.00 0.00 H new ATOM 1030 N ILE A 68 1.956 -1.839 3.100 1.00 0.00 N ATOM 1031 CA ILE A 68 2.769 -2.585 4.053 1.00 0.00 C ATOM 1032 C ILE A 68 2.222 -3.993 4.257 1.00 0.00 C ATOM 1033 O ILE A 68 2.529 -4.651 5.252 1.00 0.00 O ATOM 1034 CB ILE A 68 2.836 -1.870 5.415 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.524 -2.055 6.179 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.139 -0.391 5.223 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.529 -1.423 7.553 1.00 0.00 C ATOM 0 H ILE A 68 1.258 -1.229 3.527 1.00 0.00 H new ATOM 0 HA ILE A 68 3.773 -2.645 3.633 1.00 0.00 H new ATOM 0 HB ILE A 68 3.641 -2.313 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.709 -1.627 5.594 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.319 -3.121 6.279 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.183 0.101 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.097 -0.279 4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.354 0.066 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.567 -1.594 8.036 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.321 -1.868 8.155 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.702 -0.351 7.460 1.00 0.00 H new ATOM 1049 N ASP A 69 1.412 -4.451 3.309 1.00 0.00 N ATOM 1050 CA ASP A 69 0.824 -5.783 3.383 1.00 0.00 C ATOM 1051 C ASP A 69 1.400 -6.693 2.302 1.00 0.00 C ATOM 1052 O ASP A 69 1.687 -7.864 2.550 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.697 -5.702 3.241 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.314 -4.693 4.190 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.133 -4.845 5.416 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -1.979 -3.753 3.706 1.00 0.00 O ATOM 0 H ASP A 69 1.148 -3.919 2.480 1.00 0.00 H new ATOM 0 HA ASP A 69 1.068 -6.206 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.949 -5.433 2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.129 -6.685 3.429 1.00 0.00 H new ATOM 1061 N TYR A 70 1.567 -6.145 1.104 1.00 0.00 N ATOM 1062 CA TYR A 70 2.106 -6.908 -0.016 1.00 0.00 C ATOM 1063 C TYR A 70 3.527 -6.461 -0.346 1.00 0.00 C ATOM 1064 O TYR A 70 4.380 -7.274 -0.700 1.00 0.00 O ATOM 1065 CB TYR A 70 1.211 -6.749 -1.246 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.228 -7.143 -1.003 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.067 -6.346 -0.234 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.750 -8.312 -1.544 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.383 -6.703 -0.008 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.064 -8.677 -1.324 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.876 -7.869 -0.556 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.186 -8.227 -0.335 1.00 0.00 O ATOM 0 H TYR A 70 1.337 -5.176 0.883 1.00 0.00 H new ATOM 0 HA TYR A 70 2.133 -7.959 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.244 -5.711 -1.577 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.613 -7.355 -2.058 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.684 -5.432 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.117 -8.946 -2.147 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.021 -6.073 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.453 -9.590 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.692 -7.444 -0.033 1.00 0.00 H new ATOM 1082 N GLY A 71 3.774 -5.160 -0.227 1.00 0.00 N ATOM 1083 CA GLY A 71 5.092 -4.625 -0.515 1.00 0.00 C ATOM 1084 C GLY A 71 5.156 -3.937 -1.864 1.00 0.00 C ATOM 1085 O GLY A 71 6.108 -4.127 -2.621 1.00 0.00 O ATOM 0 H GLY A 71 3.085 -4.467 0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.371 -3.916 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.823 -5.433 -0.488 1.00 0.00 H new ATOM 1089 N ASN A 72 4.140 -3.135 -2.167 1.00 0.00 N ATOM 1090 CA ASN A 72 4.084 -2.418 -3.435 1.00 0.00 C ATOM 1091 C ASN A 72 3.806 -0.935 -3.209 1.00 0.00 C ATOM 1092 O ASN A 72 3.481 -0.516 -2.098 1.00 0.00 O ATOM 1093 CB ASN A 72 3.004 -3.019 -4.338 1.00 0.00 C ATOM 1094 CG ASN A 72 3.335 -2.874 -5.810 1.00 0.00 C ATOM 1095 OD1 ASN A 72 4.452 -3.168 -6.239 1.00 0.00 O ATOM 1096 ND2 ASN A 72 2.364 -2.420 -6.593 1.00 0.00 N ATOM 0 H ASN A 72 3.345 -2.966 -1.551 1.00 0.00 H new ATOM 0 HA ASN A 72 5.053 -2.518 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.880 -4.075 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.051 -2.532 -4.133 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.528 -2.302 -7.593 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.454 -2.189 -6.195 1.00 0.00 H new ATOM 1103 N ARG A 73 3.937 -0.146 -4.271 1.00 0.00 N ATOM 1104 CA ARG A 73 3.701 1.291 -4.188 1.00 0.00 C ATOM 1105 C ARG A 73 2.697 1.738 -5.247 1.00 0.00 C ATOM 1106 O ARG A 73 2.644 1.178 -6.341 1.00 0.00 O ATOM 1107 CB ARG A 73 5.014 2.056 -4.360 1.00 0.00 C ATOM 1108 CG ARG A 73 6.114 1.597 -3.417 1.00 0.00 C ATOM 1109 CD ARG A 73 7.490 1.995 -3.929 1.00 0.00 C ATOM 1110 NE ARG A 73 8.445 2.186 -2.841 1.00 0.00 N ATOM 1111 CZ ARG A 73 9.761 2.102 -2.995 1.00 0.00 C ATOM 1112 NH1 ARG A 73 10.276 1.832 -4.186 1.00 0.00 N ATOM 1113 NH2 ARG A 73 10.566 2.288 -1.956 1.00 0.00 N ATOM 0 H ARG A 73 4.205 -0.477 -5.198 1.00 0.00 H new ATOM 0 HA ARG A 73 3.288 1.510 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.358 1.944 -5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.830 3.118 -4.200 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.953 2.030 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.067 0.514 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.861 1.226 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.409 2.916 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 73 8.081 2.395 -1.911 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.661 1.688 -4.987 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.287 1.768 -4.302 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.174 2.496 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.577 2.223 -2.076 1.00 0.00 H new ATOM 1127 N GLU A 74 1.903 2.751 -4.912 1.00 0.00 N ATOM 1128 CA GLU A 74 0.901 3.271 -5.834 1.00 0.00 C ATOM 1129 C GLU A 74 0.508 4.698 -5.461 1.00 0.00 C ATOM 1130 O GLU A 74 0.278 5.006 -4.291 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.339 2.374 -5.835 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.371 2.763 -6.879 1.00 0.00 C ATOM 1133 CD GLU A 74 -0.958 2.370 -8.284 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.681 1.172 -8.507 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -0.910 3.258 -9.160 1.00 0.00 O ATOM 0 H GLU A 74 1.935 3.227 -4.010 1.00 0.00 H new ATOM 0 HA GLU A 74 1.335 3.280 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.031 1.343 -6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.802 2.407 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.322 2.289 -6.638 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.533 3.840 -6.840 1.00 0.00 H new ATOM 1142 N VAL A 75 0.434 5.567 -6.465 1.00 0.00 N ATOM 1143 CA VAL A 75 0.069 6.961 -6.244 1.00 0.00 C ATOM 1144 C VAL A 75 -1.443 7.150 -6.305 1.00 0.00 C ATOM 1145 O VAL A 75 -2.019 7.286 -7.385 1.00 0.00 O ATOM 1146 CB VAL A 75 0.733 7.886 -7.281 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.271 9.322 -7.089 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.248 7.788 -7.189 1.00 0.00 C ATOM 0 H VAL A 75 0.622 5.330 -7.439 1.00 0.00 H new ATOM 0 HA VAL A 75 0.426 7.227 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 75 0.431 7.563 -8.277 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.751 9.961 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.811 9.375 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.542 9.661 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.701 8.448 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.572 8.085 -6.191 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.558 6.761 -7.381 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.080 7.156 -5.139 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.526 7.329 -5.059 1.00 0.00 C ATOM 1160 C LEU A 76 -3.880 8.638 -4.360 1.00 0.00 C ATOM 1161 O LEU A 76 -3.128 9.151 -3.532 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.160 6.153 -4.315 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.684 4.760 -4.731 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.757 3.798 -3.556 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.508 4.242 -5.900 1.00 0.00 C ATOM 0 H LEU A 76 -1.618 7.043 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.920 7.363 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.968 6.277 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.240 6.202 -4.452 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.644 4.832 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.415 2.812 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.122 4.162 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.787 3.729 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.155 3.250 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.557 4.185 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.403 4.919 -6.748 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.055 9.191 -4.699 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.537 10.445 -4.113 1.00 0.00 C ATOM 1179 C PRO A 77 -5.921 10.290 -2.646 1.00 0.00 C ATOM 1180 O PRO A 77 -5.857 9.194 -2.090 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.770 10.780 -4.957 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.239 9.466 -5.479 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.002 8.634 -5.679 1.00 0.00 C ATOM 0 HA PRO A 77 -4.772 11.221 -4.125 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.540 11.266 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.520 11.463 -5.769 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.921 8.988 -4.776 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.782 9.590 -6.416 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.195 7.577 -5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.622 8.717 -6.697 1.00 0.00 H new ATOM 1191 N SER A 78 -6.323 11.394 -2.024 1.00 0.00 N ATOM 1192 CA SER A 78 -6.715 11.381 -0.620 1.00 0.00 C ATOM 1193 C SER A 78 -8.085 10.734 -0.444 1.00 0.00 C ATOM 1194 O SER A 78 -8.505 10.433 0.673 1.00 0.00 O ATOM 1195 CB SER A 78 -6.735 12.805 -0.060 1.00 0.00 C ATOM 1196 OG SER A 78 -7.553 13.651 -0.849 1.00 0.00 O ATOM 0 H SER A 78 -6.386 12.309 -2.471 1.00 0.00 H new ATOM 0 HA SER A 78 -5.981 10.792 -0.070 1.00 0.00 H new ATOM 0 HB2 SER A 78 -7.104 12.791 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.720 13.201 -0.029 1.00 0.00 H new ATOM 0 HG SER A 78 -7.071 13.905 -1.664 1.00 0.00 H new ATOM 1202 N THR A 79 -8.780 10.523 -1.558 1.00 0.00 N ATOM 1203 CA THR A 79 -10.103 9.914 -1.530 1.00 0.00 C ATOM 1204 C THR A 79 -10.019 8.431 -1.187 1.00 0.00 C ATOM 1205 O THR A 79 -10.778 7.932 -0.356 1.00 0.00 O ATOM 1206 CB THR A 79 -10.826 10.076 -2.881 1.00 0.00 C ATOM 1207 OG1 THR A 79 -9.992 9.599 -3.942 1.00 0.00 O ATOM 1208 CG2 THR A 79 -11.188 11.532 -3.129 1.00 0.00 C ATOM 0 H THR A 79 -8.447 10.765 -2.491 1.00 0.00 H new ATOM 0 HA THR A 79 -10.672 10.432 -0.758 1.00 0.00 H new ATOM 0 HB THR A 79 -11.745 9.490 -2.850 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.459 9.704 -4.797 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.697 11.622 -4.088 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.846 11.884 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.280 12.135 -3.142 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.090 7.731 -1.831 1.00 0.00 N ATOM 1217 CA ARG A 80 -8.907 6.304 -1.594 1.00 0.00 C ATOM 1218 C ARG A 80 -8.217 6.060 -0.255 1.00 0.00 C ATOM 1219 O ARG A 80 -8.073 4.917 0.182 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.087 5.679 -2.724 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.403 6.254 -4.095 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.231 5.211 -5.189 1.00 0.00 C ATOM 1223 NE ARG A 80 -9.430 4.393 -5.358 1.00 0.00 N ATOM 1224 CZ ARG A 80 -9.447 3.243 -6.022 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.336 2.777 -6.576 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -10.576 2.556 -6.132 1.00 0.00 N ATOM 0 H ARG A 80 -8.453 8.129 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.891 5.836 -1.567 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.027 5.822 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.266 4.604 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.426 6.630 -4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.749 7.103 -4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.995 5.708 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.385 4.568 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 80 -10.301 4.723 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -7.466 3.302 -6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.352 1.893 -7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.432 2.911 -5.706 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -10.588 1.673 -6.642 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.792 7.140 0.391 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.116 7.043 1.680 1.00 0.00 C ATOM 1242 C LEU A 81 -8.074 7.367 2.823 1.00 0.00 C ATOM 1243 O LEU A 81 -8.861 8.309 2.739 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.917 7.992 1.722 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.889 7.823 0.602 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.935 9.007 0.571 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.121 6.521 0.775 1.00 0.00 C ATOM 0 H LEU A 81 -7.903 8.093 0.044 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.766 6.018 1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.288 9.016 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.409 7.862 2.677 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.419 7.785 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.211 8.870 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.499 9.924 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.411 9.077 1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.394 6.418 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.602 6.529 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.816 5.682 0.746 1.00 0.00 H new ATOM 1259 N GLY A 82 -8.000 6.579 3.891 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.865 6.798 5.036 1.00 0.00 C ATOM 1261 C GLY A 82 -8.152 6.565 6.354 1.00 0.00 C ATOM 1262 O GLY A 82 -7.009 6.109 6.378 1.00 0.00 O ATOM 0 H GLY A 82 -7.357 5.793 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.247 7.818 5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.726 6.133 4.970 1.00 0.00 H new ATOM 1266 N THR A 83 -8.828 6.880 7.454 1.00 0.00 N ATOM 1267 CA THR A 83 -8.252 6.704 8.781 1.00 0.00 C ATOM 1268 C THR A 83 -8.145 5.228 9.143 1.00 0.00 C ATOM 1269 O THR A 83 -9.153 4.528 9.249 1.00 0.00 O ATOM 1270 CB THR A 83 -9.088 7.425 9.856 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.384 8.760 9.433 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.347 7.461 11.184 1.00 0.00 C ATOM 0 H THR A 83 -9.775 7.258 7.452 1.00 0.00 H new ATOM 0 HA THR A 83 -7.254 7.141 8.753 1.00 0.00 H new ATOM 0 HB THR A 83 -10.018 6.873 9.992 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.917 9.211 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.957 7.975 11.927 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.149 6.442 11.518 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.403 7.992 11.060 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.917 4.758 9.333 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.677 3.363 9.684 1.00 0.00 C ATOM 1282 C LEU A 84 -7.066 3.091 11.134 1.00 0.00 C ATOM 1283 O LEU A 84 -6.409 3.562 12.062 1.00 0.00 O ATOM 1284 CB LEU A 84 -5.206 3.006 9.464 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.728 1.702 10.104 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.511 0.520 9.554 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.236 1.510 9.873 1.00 0.00 C ATOM 0 H LEU A 84 -6.072 5.323 9.250 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.296 2.741 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.023 2.949 8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.594 3.822 9.848 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.904 1.760 11.178 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.157 -0.399 10.021 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.571 0.653 9.771 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.367 0.458 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.913 0.577 10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.035 1.473 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.689 2.342 10.316 1.00 0.00 H new ATOM 1299 N SER A 85 -8.138 2.327 11.320 1.00 0.00 N ATOM 1300 CA SER A 85 -8.616 1.995 12.657 1.00 0.00 C ATOM 1301 C SER A 85 -7.524 1.303 13.468 1.00 0.00 C ATOM 1302 O SER A 85 -6.715 0.538 12.943 1.00 0.00 O ATOM 1303 CB SER A 85 -9.850 1.095 12.571 1.00 0.00 C ATOM 1304 OG SER A 85 -10.258 0.664 13.858 1.00 0.00 O ATOM 0 H SER A 85 -8.691 1.927 10.562 1.00 0.00 H new ATOM 0 HA SER A 85 -8.886 2.923 13.161 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.665 1.635 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.629 0.229 11.947 1.00 0.00 H new ATOM 0 HG SER A 85 -11.049 0.092 13.776 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.499 1.578 14.781 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.513 0.993 15.693 1.00 0.00 C ATOM 1312 C PRO A 86 -6.737 -0.499 15.911 1.00 0.00 C ATOM 1313 O PRO A 86 -5.862 -1.201 16.417 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.736 1.763 16.997 1.00 0.00 C ATOM 1315 CG PRO A 86 -8.151 2.222 16.929 1.00 0.00 C ATOM 1316 CD PRO A 86 -8.433 2.481 15.475 1.00 0.00 C ATOM 0 HA PRO A 86 -5.499 1.073 15.302 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.568 1.127 17.866 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.050 2.606 17.081 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.826 1.465 17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.297 3.125 17.522 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.470 2.260 15.221 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.256 3.523 15.211 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.915 -0.978 15.525 1.00 0.00 N ATOM 1325 CA ALA A 87 -8.253 -2.388 15.675 1.00 0.00 C ATOM 1326 C ALA A 87 -7.677 -3.216 14.532 1.00 0.00 C ATOM 1327 O ALA A 87 -7.345 -4.389 14.707 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.763 -2.564 15.748 1.00 0.00 C ATOM 0 H ALA A 87 -8.651 -0.410 15.106 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.811 -2.745 16.605 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.001 -3.622 15.860 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.153 -2.012 16.603 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.218 -2.185 14.833 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.561 -2.599 13.361 1.00 0.00 N ATOM 1335 CA PHE A 88 -7.026 -3.280 12.187 1.00 0.00 C ATOM 1336 C PHE A 88 -5.616 -2.789 11.869 1.00 0.00 C ATOM 1337 O PHE A 88 -4.924 -3.359 11.026 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.940 -3.057 10.981 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.391 -3.310 11.274 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.807 -4.531 11.779 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.340 -2.326 11.043 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -11.142 -4.767 12.049 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.676 -2.557 11.313 1.00 0.00 C ATOM 1344 CZ PHE A 88 -12.077 -3.779 11.815 1.00 0.00 C ATOM 0 H PHE A 88 -7.830 -1.629 13.199 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.980 -4.347 12.406 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.822 -2.032 10.630 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.622 -3.711 10.169 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.080 -5.308 11.964 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.032 -1.369 10.648 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.453 -5.723 12.443 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.406 -1.782 11.131 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.121 -3.962 12.024 1.00 0.00 H new ATOM 1354 N SER A 89 -5.198 -1.727 12.550 1.00 0.00 N ATOM 1355 CA SER A 89 -3.873 -1.156 12.338 1.00 0.00 C ATOM 1356 C SER A 89 -2.787 -2.201 12.573 1.00 0.00 C ATOM 1357 O SER A 89 -2.899 -3.041 13.467 1.00 0.00 O ATOM 1358 CB SER A 89 -3.656 0.041 13.267 1.00 0.00 C ATOM 1359 OG SER A 89 -3.655 -0.362 14.625 1.00 0.00 O ATOM 0 H SER A 89 -5.758 -1.245 13.253 1.00 0.00 H new ATOM 0 HA SER A 89 -3.810 -0.820 11.303 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.709 0.525 13.027 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.441 0.779 13.104 1.00 0.00 H new ATOM 0 HG SER A 89 -3.357 0.383 15.187 1.00 0.00 H new ATOM 1365 N THR A 90 -1.734 -2.143 11.764 1.00 0.00 N ATOM 1366 CA THR A 90 -0.627 -3.084 11.881 1.00 0.00 C ATOM 1367 C THR A 90 -0.240 -3.298 13.340 1.00 0.00 C ATOM 1368 O THR A 90 0.349 -4.320 13.692 1.00 0.00 O ATOM 1369 CB THR A 90 0.608 -2.599 11.100 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.692 -3.517 11.278 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.031 -1.212 11.563 1.00 0.00 C ATOM 0 H THR A 90 -1.624 -1.454 11.020 1.00 0.00 H new ATOM 0 HA THR A 90 -0.968 -4.028 11.456 1.00 0.00 H new ATOM 0 HB THR A 90 0.345 -2.548 10.043 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.374 -4.432 11.128 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.905 -0.890 10.997 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.214 -0.509 11.399 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.277 -1.242 12.624 1.00 0.00 H new ATOM 1379 N ARG A 91 -0.577 -2.329 14.185 1.00 0.00 N ATOM 1380 CA ARG A 91 -0.263 -2.412 15.606 1.00 0.00 C ATOM 1381 C ARG A 91 -0.543 -3.813 16.144 1.00 0.00 C ATOM 1382 O ARG A 91 0.116 -4.275 17.075 1.00 0.00 O ATOM 1383 CB ARG A 91 -1.077 -1.381 16.391 1.00 0.00 C ATOM 1384 CG ARG A 91 -0.472 0.013 16.374 1.00 0.00 C ATOM 1385 CD ARG A 91 -1.014 0.869 17.508 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.663 0.327 18.818 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.604 1.060 19.924 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -0.871 2.358 19.879 1.00 0.00 N ATOM 1389 NH2 ARG A 91 -0.277 0.495 21.080 1.00 0.00 N ATOM 0 H ARG A 91 -1.067 -1.478 13.910 1.00 0.00 H new ATOM 0 HA ARG A 91 0.799 -2.199 15.731 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.085 -1.336 15.978 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.171 -1.715 17.424 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.612 -0.059 16.457 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.688 0.493 15.419 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.621 1.882 17.418 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.098 0.939 17.423 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.452 -0.668 18.887 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.123 2.796 18.993 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.825 2.918 20.730 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.071 -0.503 21.119 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.232 1.059 21.929 1.00 0.00 H new ATOM 1403 N VAL A 92 -1.526 -4.483 15.551 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.893 -5.831 15.969 1.00 0.00 C ATOM 1405 C VAL A 92 -1.147 -6.882 15.154 1.00 0.00 C ATOM 1406 O VAL A 92 -0.734 -7.915 15.683 1.00 0.00 O ATOM 1407 CB VAL A 92 -3.408 -6.069 15.828 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.807 -7.380 16.489 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -4.187 -4.905 16.422 1.00 0.00 C ATOM 0 H VAL A 92 -2.082 -4.114 14.780 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.614 -5.924 17.019 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.650 -6.136 14.767 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.881 -7.531 16.379 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.274 -8.204 16.014 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.552 -7.346 17.548 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.256 -5.090 16.314 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.941 -4.804 17.479 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.923 -3.986 15.899 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.976 -6.611 13.865 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.279 -7.533 12.976 1.00 0.00 C ATOM 1421 C LEU A 93 0.871 -6.833 12.258 1.00 0.00 C ATOM 1422 O LEU A 93 0.738 -5.711 11.769 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.252 -8.120 11.952 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.793 -9.396 11.244 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.837 -10.580 12.197 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.653 -9.663 10.017 1.00 0.00 C ATOM 0 H LEU A 93 -1.310 -5.760 13.412 1.00 0.00 H new ATOM 0 HA LEU A 93 0.132 -8.341 13.581 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.196 -8.327 12.455 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.454 -7.361 11.196 1.00 0.00 H new ATOM 0 HG LEU A 93 0.238 -9.258 10.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.507 -11.479 11.676 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.179 -10.390 13.045 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.857 -10.722 12.555 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.313 -10.574 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.693 -9.781 10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.570 -8.825 9.325 1.00 0.00 H new ATOM 1438 N PRO A 94 2.027 -7.510 12.190 1.00 0.00 N ATOM 1439 CA PRO A 94 3.221 -6.973 11.532 1.00 0.00 C ATOM 1440 C PRO A 94 3.063 -6.897 10.017 1.00 0.00 C ATOM 1441 O PRO A 94 2.497 -7.796 9.397 1.00 0.00 O ATOM 1442 CB PRO A 94 4.314 -7.977 11.906 1.00 0.00 C ATOM 1443 CG PRO A 94 3.586 -9.249 12.171 1.00 0.00 C ATOM 1444 CD PRO A 94 2.256 -8.852 12.751 1.00 0.00 C ATOM 0 HA PRO A 94 3.436 -5.952 11.847 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.036 -8.095 11.098 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.869 -7.648 12.784 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.456 -9.823 11.253 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.142 -9.879 12.865 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.468 -9.548 12.463 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.282 -8.833 13.841 1.00 0.00 H new ATOM 1452 N ALA A 95 3.569 -5.819 9.427 1.00 0.00 N ATOM 1453 CA ALA A 95 3.486 -5.628 7.984 1.00 0.00 C ATOM 1454 C ALA A 95 4.123 -6.796 7.239 1.00 0.00 C ATOM 1455 O ALA A 95 5.300 -7.098 7.431 1.00 0.00 O ATOM 1456 CB ALA A 95 4.152 -4.319 7.586 1.00 0.00 C ATOM 0 H ALA A 95 4.041 -5.065 9.926 1.00 0.00 H new ATOM 0 HA ALA A 95 2.433 -5.586 7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.083 -4.189 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.650 -3.489 8.084 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.201 -4.340 7.882 1.00 0.00 H new ATOM 1462 N GLN A 96 3.336 -7.448 6.388 1.00 0.00 N ATOM 1463 CA GLN A 96 3.824 -8.584 5.615 1.00 0.00 C ATOM 1464 C GLN A 96 4.417 -8.124 4.287 1.00 0.00 C ATOM 1465 O GLN A 96 4.909 -8.934 3.502 1.00 0.00 O ATOM 1466 CB GLN A 96 2.692 -9.580 5.363 1.00 0.00 C ATOM 1467 CG GLN A 96 2.030 -10.083 6.636 1.00 0.00 C ATOM 1468 CD GLN A 96 3.002 -10.793 7.558 1.00 0.00 C ATOM 1469 OE1 GLN A 96 3.807 -11.614 7.117 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.932 -10.481 8.846 1.00 0.00 N ATOM 0 H GLN A 96 2.359 -7.209 6.217 1.00 0.00 H new ATOM 0 HA GLN A 96 4.608 -9.074 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.938 -9.108 4.733 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.085 -10.431 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.582 -9.242 7.165 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.220 -10.764 6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.249 -9.795 9.168 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.561 -10.927 9.514 1.00 0.00 H new ATOM 1479 N ALA A 97 4.366 -6.818 4.042 1.00 0.00 N ATOM 1480 CA ALA A 97 4.900 -6.251 2.811 1.00 0.00 C ATOM 1481 C ALA A 97 6.328 -6.724 2.562 1.00 0.00 C ATOM 1482 O ALA A 97 7.140 -6.793 3.485 1.00 0.00 O ATOM 1483 CB ALA A 97 4.846 -4.731 2.863 1.00 0.00 C ATOM 0 H ALA A 97 3.960 -6.134 4.680 1.00 0.00 H new ATOM 0 HA ALA A 97 4.282 -6.597 1.983 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.248 -4.321 1.937 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.812 -4.408 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.439 -4.374 3.705 1.00 0.00 H new