USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 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 -55:sc= 0.32 USER MOD Set 1.2: A 40 CYS SG : rot -167:sc= 0.318 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -103:sc= -0.153 (180deg=-2.45) USER MOD Single : A 17 ASN : amide:sc= 0.669 K(o=0.67,f=-0.043) USER MOD Single : A 18 MET CE :methyl -173:sc= -0.0113 (180deg=-0.143) USER MOD Single : A 20 ASN : amide:sc= -1.51! X(o=-1.5!,f=-1.2) 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 USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.799) USER MOD Single : A 50 TYR OH : rot 180:sc=-0.00162 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= -0.46 (180deg=-1.26!) USER MOD Single : A 64 HIS : no HE2:sc= -2.16 X(o=-2.2,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 70 TYR OH : rot 26:sc= 0.75 USER MOD Single : A 72 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.2!) USER MOD Single : A 78 SER OG : rot 11:sc= 0.706! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.902 USER MOD Single : A 89 SER OG : rot -83:sc= 0.351 USER MOD Single : A 90 THR OG1 : rot 45:sc= 1.07 USER MOD Single : A 96 GLN : amide:sc= 0.771 K(o=0.77,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 104 N LEU A 11 -2.426 -12.343 7.437 1.00 0.00 N ATOM 105 CA LEU A 11 -2.965 -11.166 6.765 1.00 0.00 C ATOM 106 C LEU A 11 -4.453 -11.336 6.476 1.00 0.00 C ATOM 107 O LEU A 11 -5.248 -10.428 6.714 1.00 0.00 O ATOM 108 CB LEU A 11 -2.207 -10.906 5.462 1.00 0.00 C ATOM 109 CG LEU A 11 -2.388 -9.519 4.845 1.00 0.00 C ATOM 110 CD1 LEU A 11 -1.746 -8.456 5.724 1.00 0.00 C ATOM 111 CD2 LEU A 11 -1.801 -9.478 3.441 1.00 0.00 C ATOM 0 HA LEU A 11 -2.839 -10.311 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.144 -11.064 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.518 -11.651 4.729 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.456 -9.310 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.885 -7.475 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.212 -8.468 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.680 -8.662 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.939 -8.483 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.737 -9.709 3.485 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.306 -10.212 2.814 1.00 0.00 H new ATOM 123 N GLU A 12 -4.820 -12.507 5.964 1.00 0.00 N ATOM 124 CA GLU A 12 -6.214 -12.796 5.645 1.00 0.00 C ATOM 125 C GLU A 12 -7.106 -12.587 6.865 1.00 0.00 C ATOM 126 O GLU A 12 -8.214 -12.061 6.755 1.00 0.00 O ATOM 127 CB GLU A 12 -6.355 -14.231 5.135 1.00 0.00 C ATOM 128 CG GLU A 12 -6.221 -14.358 3.626 1.00 0.00 C ATOM 129 CD GLU A 12 -7.477 -13.932 2.891 1.00 0.00 C ATOM 130 OE1 GLU A 12 -8.045 -12.878 3.247 1.00 0.00 O ATOM 131 OE2 GLU A 12 -7.892 -14.653 1.960 1.00 0.00 O ATOM 0 H GLU A 12 -4.173 -13.269 5.762 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.532 -12.107 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.598 -14.853 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.326 -14.622 5.439 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.382 -13.750 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.989 -15.392 3.371 1.00 0.00 H new ATOM 138 N LYS A 13 -6.616 -13.005 8.027 1.00 0.00 N ATOM 139 CA LYS A 13 -7.367 -12.864 9.269 1.00 0.00 C ATOM 140 C LYS A 13 -7.638 -11.395 9.578 1.00 0.00 C ATOM 141 O LYS A 13 -8.791 -10.975 9.683 1.00 0.00 O ATOM 142 CB LYS A 13 -6.601 -13.507 10.427 1.00 0.00 C ATOM 143 CG LYS A 13 -6.951 -14.968 10.651 1.00 0.00 C ATOM 144 CD LYS A 13 -6.170 -15.878 9.717 1.00 0.00 C ATOM 145 CE LYS A 13 -4.792 -16.199 10.276 1.00 0.00 C ATOM 146 NZ LYS A 13 -4.834 -17.338 11.234 1.00 0.00 N ATOM 0 H LYS A 13 -5.702 -13.444 8.135 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.323 -13.373 9.146 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.531 -13.424 10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.805 -12.949 11.341 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.740 -15.239 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.020 -15.115 10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.725 -16.803 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.066 -15.399 8.743 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.114 -16.438 9.457 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.389 -15.318 10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.876 -17.526 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.461 -17.100 12.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.195 -18.185 10.751 1.00 0.00 H new ATOM 160 N LEU A 14 -6.570 -10.619 9.721 1.00 0.00 N ATOM 161 CA LEU A 14 -6.692 -9.195 10.016 1.00 0.00 C ATOM 162 C LEU A 14 -7.485 -8.480 8.927 1.00 0.00 C ATOM 163 O LEU A 14 -8.492 -7.829 9.204 1.00 0.00 O ATOM 164 CB LEU A 14 -5.307 -8.562 10.154 1.00 0.00 C ATOM 165 CG LEU A 14 -5.279 -7.098 10.594 1.00 0.00 C ATOM 166 CD1 LEU A 14 -5.213 -6.997 12.110 1.00 0.00 C ATOM 167 CD2 LEU A 14 -4.103 -6.372 9.958 1.00 0.00 C ATOM 0 H LEU A 14 -5.609 -10.951 9.638 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.228 -9.089 10.959 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.732 -9.147 10.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.796 -8.642 9.195 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.200 -6.621 10.258 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.194 -5.948 12.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.088 -7.480 12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.310 -7.491 12.469 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.099 -5.331 10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.172 -6.851 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.194 -6.413 8.873 1.00 0.00 H new ATOM 179 N MET A 15 -7.024 -8.607 7.687 1.00 0.00 N ATOM 180 CA MET A 15 -7.692 -7.975 6.555 1.00 0.00 C ATOM 181 C MET A 15 -9.160 -8.386 6.491 1.00 0.00 C ATOM 182 O MET A 15 -10.020 -7.590 6.117 1.00 0.00 O ATOM 183 CB MET A 15 -6.989 -8.345 5.248 1.00 0.00 C ATOM 184 CG MET A 15 -5.662 -7.631 5.048 1.00 0.00 C ATOM 185 SD MET A 15 -5.838 -5.837 5.006 1.00 0.00 S ATOM 186 CE MET A 15 -4.532 -5.343 6.127 1.00 0.00 C ATOM 0 H MET A 15 -6.191 -9.142 7.441 1.00 0.00 H new ATOM 0 HA MET A 15 -7.641 -6.895 6.693 1.00 0.00 H new ATOM 0 HB2 MET A 15 -6.819 -9.422 5.228 1.00 0.00 H new ATOM 0 HB3 MET A 15 -7.648 -8.111 4.412 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.981 -7.907 5.853 1.00 0.00 H new ATOM 0 HG3 MET A 15 -5.208 -7.970 4.116 1.00 0.00 H new ATOM 0 HE1 MET A 15 -4.964 -5.066 7.089 1.00 0.00 H new ATOM 0 HE2 MET A 15 -3.839 -6.172 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 15 -3.998 -4.490 5.710 1.00 0.00 H new ATOM 196 N GLU A 16 -9.437 -9.633 6.858 1.00 0.00 N ATOM 197 CA GLU A 16 -10.800 -10.149 6.841 1.00 0.00 C ATOM 198 C GLU A 16 -11.685 -9.381 7.819 1.00 0.00 C ATOM 199 O GLU A 16 -12.851 -9.110 7.537 1.00 0.00 O ATOM 200 CB GLU A 16 -10.810 -11.639 7.189 1.00 0.00 C ATOM 201 CG GLU A 16 -12.200 -12.193 7.454 1.00 0.00 C ATOM 202 CD GLU A 16 -13.103 -12.110 6.239 1.00 0.00 C ATOM 203 OE1 GLU A 16 -12.615 -12.366 5.119 1.00 0.00 O ATOM 204 OE2 GLU A 16 -14.298 -11.788 6.408 1.00 0.00 O ATOM 0 H GLU A 16 -8.736 -10.304 7.171 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.199 -10.016 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -10.355 -12.198 6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.189 -11.802 8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.118 -13.233 7.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.655 -11.644 8.278 1.00 0.00 H new ATOM 211 N ASN A 17 -11.120 -9.036 8.972 1.00 0.00 N ATOM 212 CA ASN A 17 -11.857 -8.301 9.994 1.00 0.00 C ATOM 213 C ASN A 17 -12.060 -6.847 9.578 1.00 0.00 C ATOM 214 O ASN A 17 -13.143 -6.288 9.747 1.00 0.00 O ATOM 215 CB ASN A 17 -11.115 -8.362 11.330 1.00 0.00 C ATOM 216 CG ASN A 17 -11.332 -9.678 12.052 1.00 0.00 C ATOM 217 OD1 ASN A 17 -11.901 -9.714 13.143 1.00 0.00 O ATOM 218 ND2 ASN A 17 -10.877 -10.767 11.444 1.00 0.00 N ATOM 0 H ASN A 17 -10.155 -9.253 9.222 1.00 0.00 H new ATOM 0 HA ASN A 17 -12.835 -8.768 10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.049 -8.217 11.157 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.449 -7.542 11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.993 -11.681 11.881 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.411 -10.689 10.540 1.00 0.00 H new ATOM 225 N MET A 18 -11.010 -6.241 9.033 1.00 0.00 N ATOM 226 CA MET A 18 -11.073 -4.853 8.591 1.00 0.00 C ATOM 227 C MET A 18 -12.003 -4.706 7.390 1.00 0.00 C ATOM 228 O MET A 18 -12.948 -3.917 7.418 1.00 0.00 O ATOM 229 CB MET A 18 -9.675 -4.344 8.234 1.00 0.00 C ATOM 230 CG MET A 18 -9.666 -2.928 7.682 1.00 0.00 C ATOM 231 SD MET A 18 -8.042 -2.427 7.080 1.00 0.00 S ATOM 232 CE MET A 18 -8.039 -3.177 5.453 1.00 0.00 C ATOM 0 H MET A 18 -10.106 -6.689 8.887 1.00 0.00 H new ATOM 0 HA MET A 18 -11.470 -4.255 9.411 1.00 0.00 H new ATOM 0 HB2 MET A 18 -9.045 -4.383 9.123 1.00 0.00 H new ATOM 0 HB3 MET A 18 -9.230 -5.015 7.499 1.00 0.00 H new ATOM 0 HG2 MET A 18 -10.389 -2.854 6.869 1.00 0.00 H new ATOM 0 HG3 MET A 18 -9.990 -2.237 8.460 1.00 0.00 H new ATOM 0 HE1 MET A 18 -7.053 -3.063 5.002 1.00 0.00 H new ATOM 0 HE2 MET A 18 -8.278 -4.237 5.541 1.00 0.00 H new ATOM 0 HE3 MET A 18 -8.784 -2.688 4.825 1.00 0.00 H new ATOM 242 N ARG A 19 -11.727 -5.470 6.338 1.00 0.00 N ATOM 243 CA ARG A 19 -12.538 -5.424 5.127 1.00 0.00 C ATOM 244 C ARG A 19 -14.025 -5.427 5.468 1.00 0.00 C ATOM 245 O ARG A 19 -14.839 -4.854 4.745 1.00 0.00 O ATOM 246 CB ARG A 19 -12.209 -6.612 4.222 1.00 0.00 C ATOM 247 CG ARG A 19 -10.884 -6.472 3.490 1.00 0.00 C ATOM 248 CD ARG A 19 -10.640 -7.642 2.550 1.00 0.00 C ATOM 249 NE ARG A 19 -11.734 -7.817 1.599 1.00 0.00 N ATOM 250 CZ ARG A 19 -11.834 -8.856 0.777 1.00 0.00 C ATOM 251 NH1 ARG A 19 -10.911 -9.807 0.790 1.00 0.00 N ATOM 252 NH2 ARG A 19 -12.860 -8.945 -0.061 1.00 0.00 N ATOM 0 H ARG A 19 -10.948 -6.128 6.300 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.306 -4.499 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.188 -7.521 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.008 -6.732 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.877 -5.541 2.923 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.072 -6.410 4.214 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.709 -7.482 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.516 -8.555 3.132 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.461 -7.103 1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.121 -9.742 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.990 -10.603 0.158 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.572 -8.215 -0.074 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.936 -9.743 -0.692 1.00 0.00 H new ATOM 266 N ASN A 20 -14.372 -6.076 6.575 1.00 0.00 N ATOM 267 CA ASN A 20 -15.762 -6.155 7.011 1.00 0.00 C ATOM 268 C ASN A 20 -16.286 -4.778 7.408 1.00 0.00 C ATOM 269 O ASN A 20 -17.103 -4.187 6.702 1.00 0.00 O ATOM 270 CB ASN A 20 -15.894 -7.123 8.189 1.00 0.00 C ATOM 271 CG ASN A 20 -16.110 -8.555 7.739 1.00 0.00 C ATOM 272 OD1 ASN A 20 -17.081 -8.860 7.046 1.00 0.00 O ATOM 273 ND2 ASN A 20 -15.204 -9.442 8.133 1.00 0.00 N ATOM 0 H ASN A 20 -13.710 -6.555 7.186 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.359 -6.525 6.177 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.994 -7.069 8.802 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.728 -6.813 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.297 -10.421 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.415 -9.145 8.707 1.00 0.00 H new ATOM 280 N ASP A 21 -15.810 -4.275 8.541 1.00 0.00 N ATOM 281 CA ASP A 21 -16.229 -2.967 9.032 1.00 0.00 C ATOM 282 C ASP A 21 -15.898 -1.875 8.019 1.00 0.00 C ATOM 283 O ASP A 21 -16.500 -0.801 8.031 1.00 0.00 O ATOM 284 CB ASP A 21 -15.555 -2.660 10.370 1.00 0.00 C ATOM 285 CG ASP A 21 -16.415 -1.791 11.266 1.00 0.00 C ATOM 286 OD1 ASP A 21 -17.614 -2.105 11.424 1.00 0.00 O ATOM 287 OD2 ASP A 21 -15.890 -0.798 11.810 1.00 0.00 O ATOM 0 H ASP A 21 -15.134 -4.753 9.137 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.309 -2.989 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.330 -3.595 10.883 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.604 -2.160 10.188 1.00 0.00 H new ATOM 292 N ILE A 22 -14.936 -2.157 7.147 1.00 0.00 N ATOM 293 CA ILE A 22 -14.525 -1.198 6.128 1.00 0.00 C ATOM 294 C ILE A 22 -15.471 -1.228 4.932 1.00 0.00 C ATOM 295 O ILE A 22 -15.756 -0.195 4.328 1.00 0.00 O ATOM 296 CB ILE A 22 -13.091 -1.475 5.641 1.00 0.00 C ATOM 297 CG1 ILE A 22 -12.078 -0.747 6.528 1.00 0.00 C ATOM 298 CG2 ILE A 22 -12.933 -1.049 4.189 1.00 0.00 C ATOM 299 CD1 ILE A 22 -12.090 0.755 6.351 1.00 0.00 C ATOM 0 H ILE A 22 -14.427 -3.041 7.125 1.00 0.00 H new ATOM 0 HA ILE A 22 -14.559 -0.212 6.590 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.901 -2.546 5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.285 -0.983 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.079 -1.123 6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.914 -1.251 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.633 -1.608 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.139 0.018 4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.348 1.205 7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.853 1.001 5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.078 1.143 6.599 1.00 0.00 H new ATOM 311 N ALA A 23 -15.954 -2.420 4.596 1.00 0.00 N ATOM 312 CA ALA A 23 -16.871 -2.584 3.475 1.00 0.00 C ATOM 313 C ALA A 23 -18.305 -2.270 3.888 1.00 0.00 C ATOM 314 O ALA A 23 -19.161 -2.008 3.043 1.00 0.00 O ATOM 315 CB ALA A 23 -16.777 -3.997 2.919 1.00 0.00 C ATOM 0 H ALA A 23 -15.725 -3.286 5.084 1.00 0.00 H new ATOM 0 HA ALA A 23 -16.583 -1.879 2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -17.467 -4.105 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.760 -4.186 2.577 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -17.037 -4.713 3.699 1.00 0.00 H new ATOM 321 N SER A 24 -18.560 -2.298 5.192 1.00 0.00 N ATOM 322 CA SER A 24 -19.893 -2.020 5.716 1.00 0.00 C ATOM 323 C SER A 24 -20.018 -0.558 6.134 1.00 0.00 C ATOM 324 O SER A 24 -21.087 0.043 6.019 1.00 0.00 O ATOM 325 CB SER A 24 -20.195 -2.931 6.908 1.00 0.00 C ATOM 326 OG SER A 24 -21.591 -3.109 7.073 1.00 0.00 O ATOM 0 H SER A 24 -17.862 -2.510 5.905 1.00 0.00 H new ATOM 0 HA SER A 24 -20.616 -2.217 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.717 -3.899 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 24 -19.770 -2.501 7.815 1.00 0.00 H new ATOM 0 HG SER A 24 -21.758 -3.696 7.840 1.00 0.00 H new ATOM 332 N HIS A 25 -18.918 0.009 6.619 1.00 0.00 N ATOM 333 CA HIS A 25 -18.903 1.401 7.054 1.00 0.00 C ATOM 334 C HIS A 25 -17.694 2.136 6.484 1.00 0.00 C ATOM 335 O HIS A 25 -16.913 2.752 7.210 1.00 0.00 O ATOM 336 CB HIS A 25 -18.890 1.480 8.581 1.00 0.00 C ATOM 337 CG HIS A 25 -20.252 1.386 9.197 1.00 0.00 C ATOM 338 ND1 HIS A 25 -20.921 2.475 9.714 1.00 0.00 N ATOM 339 CD2 HIS A 25 -21.071 0.324 9.376 1.00 0.00 C ATOM 340 CE1 HIS A 25 -22.092 2.087 10.187 1.00 0.00 C ATOM 341 NE2 HIS A 25 -22.208 0.785 9.993 1.00 0.00 N ATOM 0 H HIS A 25 -18.025 -0.474 6.721 1.00 0.00 H new ATOM 0 HA HIS A 25 -19.807 1.882 6.681 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -18.267 0.676 8.973 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -18.427 2.419 8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -20.868 -0.697 9.087 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -22.829 2.725 10.653 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -23.011 0.215 10.258 1.00 0.00 H new ATOM 349 N PRO A 26 -17.533 2.069 5.154 1.00 0.00 N ATOM 350 CA PRO A 26 -16.420 2.722 4.458 1.00 0.00 C ATOM 351 C PRO A 26 -16.234 4.171 4.894 1.00 0.00 C ATOM 352 O PRO A 26 -17.189 4.872 5.228 1.00 0.00 O ATOM 353 CB PRO A 26 -16.835 2.655 2.986 1.00 0.00 C ATOM 354 CG PRO A 26 -17.741 1.476 2.901 1.00 0.00 C ATOM 355 CD PRO A 26 -18.425 1.352 4.228 1.00 0.00 C ATOM 0 HA PRO A 26 -15.467 2.238 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.343 3.568 2.676 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -15.969 2.536 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.471 1.607 2.102 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -17.177 0.572 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.420 1.796 4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.547 0.309 4.519 1.00 0.00 H new ATOM 363 N PRO A 27 -14.975 4.634 4.891 1.00 0.00 N ATOM 364 CA PRO A 27 -14.634 6.005 5.283 1.00 0.00 C ATOM 365 C PRO A 27 -15.119 7.035 4.268 1.00 0.00 C ATOM 366 O PRO A 27 -15.422 6.699 3.123 1.00 0.00 O ATOM 367 CB PRO A 27 -13.105 5.988 5.338 1.00 0.00 C ATOM 368 CG PRO A 27 -12.704 4.893 4.411 1.00 0.00 C ATOM 369 CD PRO A 27 -13.787 3.854 4.504 1.00 0.00 C ATOM 0 HA PRO A 27 -15.105 6.289 6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.687 6.945 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.747 5.800 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.604 5.263 3.390 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.738 4.476 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.935 3.341 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.549 3.090 5.244 1.00 0.00 H new ATOM 377 N VAL A 28 -15.191 8.292 4.696 1.00 0.00 N ATOM 378 CA VAL A 28 -15.637 9.372 3.824 1.00 0.00 C ATOM 379 C VAL A 28 -14.503 9.862 2.931 1.00 0.00 C ATOM 380 O VAL A 28 -13.432 10.225 3.415 1.00 0.00 O ATOM 381 CB VAL A 28 -16.185 10.559 4.637 1.00 0.00 C ATOM 382 CG1 VAL A 28 -16.414 11.763 3.737 1.00 0.00 C ATOM 383 CG2 VAL A 28 -17.469 10.167 5.354 1.00 0.00 C ATOM 0 H VAL A 28 -14.946 8.587 5.641 1.00 0.00 H new ATOM 0 HA VAL A 28 -16.436 8.967 3.202 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.445 10.833 5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.801 12.592 4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.471 12.057 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.134 11.505 2.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.842 11.018 5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.217 9.865 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -17.269 9.337 6.031 1.00 0.00 H new ATOM 393 N GLU A 29 -14.747 9.868 1.624 1.00 0.00 N ATOM 394 CA GLU A 29 -13.745 10.314 0.663 1.00 0.00 C ATOM 395 C GLU A 29 -13.292 11.738 0.970 1.00 0.00 C ATOM 396 O GLU A 29 -14.069 12.686 0.863 1.00 0.00 O ATOM 397 CB GLU A 29 -14.303 10.240 -0.760 1.00 0.00 C ATOM 398 CG GLU A 29 -15.197 11.413 -1.125 1.00 0.00 C ATOM 399 CD GLU A 29 -16.054 11.137 -2.345 1.00 0.00 C ATOM 400 OE1 GLU A 29 -15.558 10.477 -3.282 1.00 0.00 O ATOM 401 OE2 GLU A 29 -17.222 11.580 -2.362 1.00 0.00 O ATOM 0 H GLU A 29 -15.629 9.569 1.207 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.883 9.652 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.473 10.194 -1.465 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.868 9.315 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.842 11.650 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.579 12.292 -1.311 1.00 0.00 H new ATOM 408 N GLY A 30 -12.027 11.881 1.354 1.00 0.00 N ATOM 409 CA GLY A 30 -11.491 13.191 1.672 1.00 0.00 C ATOM 410 C GLY A 30 -11.660 13.547 3.136 1.00 0.00 C ATOM 411 O GLY A 30 -11.759 14.723 3.488 1.00 0.00 O ATOM 0 H GLY A 30 -11.364 11.112 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.432 13.219 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.989 13.942 1.059 1.00 0.00 H new ATOM 415 N SER A 31 -11.696 12.530 3.990 1.00 0.00 N ATOM 416 CA SER A 31 -11.860 12.741 5.424 1.00 0.00 C ATOM 417 C SER A 31 -10.519 12.641 6.145 1.00 0.00 C ATOM 418 O SER A 31 -10.306 13.280 7.175 1.00 0.00 O ATOM 419 CB SER A 31 -12.841 11.719 6.002 1.00 0.00 C ATOM 420 OG SER A 31 -12.164 10.553 6.438 1.00 0.00 O ATOM 0 H SER A 31 -11.614 11.551 3.714 1.00 0.00 H new ATOM 0 HA SER A 31 -12.260 13.744 5.576 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.383 12.162 6.837 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.581 11.453 5.247 1.00 0.00 H new ATOM 0 HG SER A 31 -12.812 9.916 6.805 1.00 0.00 H new ATOM 426 N TYR A 32 -9.618 11.834 5.596 1.00 0.00 N ATOM 427 CA TYR A 32 -8.299 11.647 6.187 1.00 0.00 C ATOM 428 C TYR A 32 -7.225 12.337 5.351 1.00 0.00 C ATOM 429 O TYR A 32 -7.175 12.180 4.132 1.00 0.00 O ATOM 430 CB TYR A 32 -7.981 10.156 6.315 1.00 0.00 C ATOM 431 CG TYR A 32 -6.506 9.863 6.469 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.656 9.875 5.369 1.00 0.00 C ATOM 433 CD2 TYR A 32 -5.961 9.573 7.714 1.00 0.00 C ATOM 434 CE1 TYR A 32 -4.308 9.607 5.505 1.00 0.00 C ATOM 435 CE2 TYR A 32 -4.613 9.305 7.859 1.00 0.00 C ATOM 436 CZ TYR A 32 -3.791 9.322 6.751 1.00 0.00 C ATOM 437 OH TYR A 32 -2.449 9.056 6.891 1.00 0.00 O ATOM 0 H TYR A 32 -9.777 11.299 4.742 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.307 12.097 7.180 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.515 9.752 7.175 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.356 9.636 5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.057 10.098 4.391 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -6.602 9.557 8.583 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.662 9.621 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.205 9.083 8.834 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.195 8.329 6.285 1.00 0.00 H new ATOM 447 N ALA A 33 -6.366 13.102 6.018 1.00 0.00 N ATOM 448 CA ALA A 33 -5.291 13.814 5.338 1.00 0.00 C ATOM 449 C ALA A 33 -3.973 13.057 5.453 1.00 0.00 C ATOM 450 O ALA A 33 -3.389 12.937 6.530 1.00 0.00 O ATOM 451 CB ALA A 33 -5.147 15.218 5.907 1.00 0.00 C ATOM 0 H ALA A 33 -6.394 13.244 7.028 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.547 13.886 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.341 15.739 5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.080 15.764 5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.917 15.158 6.971 1.00 0.00 H new ATOM 457 N PRO A 34 -3.491 12.531 4.316 1.00 0.00 N ATOM 458 CA PRO A 34 -2.236 11.776 4.263 1.00 0.00 C ATOM 459 C PRO A 34 -1.016 12.663 4.486 1.00 0.00 C ATOM 460 O PRO A 34 -0.891 13.726 3.878 1.00 0.00 O ATOM 461 CB PRO A 34 -2.228 11.201 2.845 1.00 0.00 C ATOM 462 CG PRO A 34 -3.076 12.135 2.052 1.00 0.00 C ATOM 463 CD PRO A 34 -4.134 12.635 2.996 1.00 0.00 C ATOM 0 HA PRO A 34 -2.182 11.018 5.045 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.215 11.149 2.445 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.631 10.188 2.826 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.484 12.960 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.523 11.627 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.422 13.662 2.769 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.039 12.030 2.941 1.00 0.00 H new ATOM 471 N ARG A 35 -0.118 12.218 5.359 1.00 0.00 N ATOM 472 CA ARG A 35 1.092 12.972 5.662 1.00 0.00 C ATOM 473 C ARG A 35 2.337 12.127 5.409 1.00 0.00 C ATOM 474 O ARG A 35 2.331 10.915 5.625 1.00 0.00 O ATOM 475 CB ARG A 35 1.072 13.448 7.115 1.00 0.00 C ATOM 476 CG ARG A 35 -0.154 14.273 7.470 1.00 0.00 C ATOM 477 CD ARG A 35 -0.133 15.628 6.779 1.00 0.00 C ATOM 478 NE ARG A 35 0.831 16.538 7.391 1.00 0.00 N ATOM 479 CZ ARG A 35 0.782 17.859 7.258 1.00 0.00 C ATOM 480 NH1 ARG A 35 -0.180 18.420 6.538 1.00 0.00 N ATOM 481 NH2 ARG A 35 1.695 18.621 7.845 1.00 0.00 N ATOM 0 H ARG A 35 -0.206 11.339 5.869 1.00 0.00 H new ATOM 0 HA ARG A 35 1.123 13.840 5.003 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.118 12.580 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.966 14.041 7.306 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.055 13.731 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.198 14.415 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.113 15.494 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.128 16.072 6.820 1.00 0.00 H new ATOM 0 HE ARG A 35 1.583 16.138 7.951 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.884 17.837 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.216 19.434 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.436 18.193 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.656 19.635 7.742 1.00 0.00 H new ATOM 495 N ARG A 36 3.403 12.775 4.950 1.00 0.00 N ATOM 496 CA ARG A 36 4.654 12.083 4.666 1.00 0.00 C ATOM 497 C ARG A 36 5.162 11.348 5.903 1.00 0.00 C ATOM 498 O ARG A 36 5.721 11.958 6.814 1.00 0.00 O ATOM 499 CB ARG A 36 5.712 13.075 4.179 1.00 0.00 C ATOM 500 CG ARG A 36 7.047 12.429 3.848 1.00 0.00 C ATOM 501 CD ARG A 36 7.771 13.182 2.743 1.00 0.00 C ATOM 502 NE ARG A 36 9.217 12.981 2.801 1.00 0.00 N ATOM 503 CZ ARG A 36 10.088 13.707 2.109 1.00 0.00 C ATOM 504 NH1 ARG A 36 9.662 14.678 1.312 1.00 0.00 N ATOM 505 NH2 ARG A 36 11.388 13.464 2.215 1.00 0.00 N ATOM 0 H ARG A 36 3.425 13.778 4.767 1.00 0.00 H new ATOM 0 HA ARG A 36 4.464 11.351 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.337 13.588 3.293 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.866 13.834 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.671 12.403 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.886 11.396 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.397 12.851 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.549 14.246 2.824 1.00 0.00 H new ATOM 0 HE ARG A 36 9.577 12.243 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.663 14.869 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.333 15.234 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.719 12.719 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.056 14.022 1.683 1.00 0.00 H new ATOM 519 N GLY A 37 4.963 10.034 5.929 1.00 0.00 N ATOM 520 CA GLY A 37 5.405 9.238 7.059 1.00 0.00 C ATOM 521 C GLY A 37 4.264 8.854 7.980 1.00 0.00 C ATOM 522 O GLY A 37 4.467 8.647 9.176 1.00 0.00 O ATOM 0 H GLY A 37 4.503 9.506 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.893 8.334 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.151 9.797 7.624 1.00 0.00 H new ATOM 526 N GLU A 38 3.061 8.761 7.422 1.00 0.00 N ATOM 527 CA GLU A 38 1.884 8.402 8.204 1.00 0.00 C ATOM 528 C GLU A 38 1.205 7.163 7.627 1.00 0.00 C ATOM 529 O GLU A 38 1.162 6.974 6.411 1.00 0.00 O ATOM 530 CB GLU A 38 0.894 9.568 8.241 1.00 0.00 C ATOM 531 CG GLU A 38 1.123 10.525 9.399 1.00 0.00 C ATOM 532 CD GLU A 38 0.796 9.903 10.743 1.00 0.00 C ATOM 533 OE1 GLU A 38 -0.076 9.010 10.787 1.00 0.00 O ATOM 534 OE2 GLU A 38 1.412 10.310 11.750 1.00 0.00 O ATOM 0 H GLU A 38 2.876 8.929 6.433 1.00 0.00 H new ATOM 0 HA GLU A 38 2.209 8.178 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.962 10.121 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.119 9.171 8.304 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.163 10.850 9.397 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.511 11.415 9.256 1.00 0.00 H new ATOM 541 N PHE A 39 0.677 6.320 8.509 1.00 0.00 N ATOM 542 CA PHE A 39 0.002 5.098 8.089 1.00 0.00 C ATOM 543 C PHE A 39 -1.481 5.355 7.835 1.00 0.00 C ATOM 544 O PHE A 39 -2.080 6.245 8.440 1.00 0.00 O ATOM 545 CB PHE A 39 0.168 4.008 9.150 1.00 0.00 C ATOM 546 CG PHE A 39 1.581 3.522 9.294 1.00 0.00 C ATOM 547 CD1 PHE A 39 2.458 4.149 10.165 1.00 0.00 C ATOM 548 CD2 PHE A 39 2.034 2.439 8.558 1.00 0.00 C ATOM 549 CE1 PHE A 39 3.760 3.704 10.301 1.00 0.00 C ATOM 550 CE2 PHE A 39 3.335 1.989 8.690 1.00 0.00 C ATOM 551 CZ PHE A 39 4.199 2.623 9.561 1.00 0.00 C ATOM 0 H PHE A 39 0.704 6.461 9.519 1.00 0.00 H new ATOM 0 HA PHE A 39 0.459 4.762 7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.175 4.392 10.111 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.474 3.164 8.896 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.120 4.995 10.745 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.364 1.941 7.874 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.433 4.201 10.985 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.675 1.142 8.112 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.216 2.274 9.664 1.00 0.00 H new ATOM 561 N CYS A 40 -2.066 4.571 6.937 1.00 0.00 N ATOM 562 CA CYS A 40 -3.478 4.713 6.601 1.00 0.00 C ATOM 563 C CYS A 40 -3.921 3.617 5.638 1.00 0.00 C ATOM 564 O CYS A 40 -3.095 2.884 5.094 1.00 0.00 O ATOM 565 CB CYS A 40 -3.740 6.088 5.984 1.00 0.00 C ATOM 566 SG CYS A 40 -2.627 6.511 4.624 1.00 0.00 S ATOM 0 H CYS A 40 -1.584 3.830 6.428 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.056 4.619 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.768 6.122 5.622 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.651 6.846 6.762 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.740 7.776 4.349 1.00 0.00 H new ATOM 572 N ILE A 41 -5.230 3.511 5.432 1.00 0.00 N ATOM 573 CA ILE A 41 -5.782 2.504 4.535 1.00 0.00 C ATOM 574 C ILE A 41 -6.055 3.088 3.154 1.00 0.00 C ATOM 575 O ILE A 41 -6.609 4.180 3.029 1.00 0.00 O ATOM 576 CB ILE A 41 -7.087 1.907 5.094 1.00 0.00 C ATOM 577 CG1 ILE A 41 -8.142 3.003 5.267 1.00 0.00 C ATOM 578 CG2 ILE A 41 -6.824 1.204 6.418 1.00 0.00 C ATOM 579 CD1 ILE A 41 -9.500 2.476 5.674 1.00 0.00 C ATOM 0 H ILE A 41 -5.927 4.110 5.874 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.036 1.713 4.452 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.466 1.172 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.797 3.713 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.240 3.552 4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.756 0.787 6.800 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.103 0.401 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.425 1.919 7.137 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.197 3.308 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.867 1.788 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.416 1.952 6.626 1.00 0.00 H new ATOM 591 N ALA A 42 -5.663 2.353 2.118 1.00 0.00 N ATOM 592 CA ALA A 42 -5.868 2.797 0.745 1.00 0.00 C ATOM 593 C ALA A 42 -6.837 1.876 0.010 1.00 0.00 C ATOM 594 O ALA A 42 -6.846 0.665 0.229 1.00 0.00 O ATOM 595 CB ALA A 42 -4.539 2.864 0.008 1.00 0.00 C ATOM 0 H ALA A 42 -5.202 1.447 2.204 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.306 3.795 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.707 3.197 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.877 3.567 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.079 1.876 -0.003 1.00 0.00 H new ATOM 601 N LYS A 43 -7.652 2.459 -0.863 1.00 0.00 N ATOM 602 CA LYS A 43 -8.625 1.692 -1.631 1.00 0.00 C ATOM 603 C LYS A 43 -8.022 1.211 -2.947 1.00 0.00 C ATOM 604 O LYS A 43 -7.533 2.010 -3.746 1.00 0.00 O ATOM 605 CB LYS A 43 -9.869 2.539 -1.908 1.00 0.00 C ATOM 606 CG LYS A 43 -11.147 1.726 -2.015 1.00 0.00 C ATOM 607 CD LYS A 43 -12.377 2.587 -1.778 1.00 0.00 C ATOM 608 CE LYS A 43 -13.555 1.755 -1.294 1.00 0.00 C ATOM 609 NZ LYS A 43 -14.384 1.256 -2.426 1.00 0.00 N ATOM 0 H LYS A 43 -7.658 3.461 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.910 0.820 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.982 3.275 -1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.722 3.093 -2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.207 1.269 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.125 0.914 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.147 3.357 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.647 3.100 -2.701 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.188 0.909 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.174 2.355 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.363 1.589 -2.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.998 1.613 -3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.371 0.216 -2.434 1.00 0.00 H new ATOM 623 N PHE A 44 -8.060 -0.099 -3.166 1.00 0.00 N ATOM 624 CA PHE A 44 -7.518 -0.687 -4.386 1.00 0.00 C ATOM 625 C PHE A 44 -8.521 -0.586 -5.531 1.00 0.00 C ATOM 626 O PHE A 44 -9.727 -0.483 -5.308 1.00 0.00 O ATOM 627 CB PHE A 44 -7.143 -2.151 -4.149 1.00 0.00 C ATOM 628 CG PHE A 44 -6.122 -2.673 -5.119 1.00 0.00 C ATOM 629 CD1 PHE A 44 -4.887 -2.056 -5.244 1.00 0.00 C ATOM 630 CD2 PHE A 44 -6.396 -3.781 -5.904 1.00 0.00 C ATOM 631 CE1 PHE A 44 -3.946 -2.534 -6.137 1.00 0.00 C ATOM 632 CE2 PHE A 44 -5.458 -4.264 -6.798 1.00 0.00 C ATOM 633 CZ PHE A 44 -4.232 -3.640 -6.914 1.00 0.00 C ATOM 0 H PHE A 44 -8.460 -0.774 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.622 -0.130 -4.661 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.758 -2.260 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.042 -2.763 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.657 -1.193 -4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.353 -4.273 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.988 -2.043 -6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.684 -5.128 -7.405 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.498 -4.016 -7.611 1.00 0.00 H new ATOM 643 N VAL A 45 -8.013 -0.616 -6.759 1.00 0.00 N ATOM 644 CA VAL A 45 -8.863 -0.528 -7.940 1.00 0.00 C ATOM 645 C VAL A 45 -10.060 -1.465 -7.826 1.00 0.00 C ATOM 646 O VAL A 45 -11.079 -1.269 -8.489 1.00 0.00 O ATOM 647 CB VAL A 45 -8.079 -0.869 -9.222 1.00 0.00 C ATOM 648 CG1 VAL A 45 -6.895 0.071 -9.389 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.621 -2.319 -9.196 1.00 0.00 C ATOM 0 H VAL A 45 -7.017 -0.701 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.215 0.502 -8.001 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.740 -0.737 -10.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.353 -0.185 -10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.253 1.098 -9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.229 -0.026 -8.531 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.069 -2.543 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.976 -2.481 -8.333 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.490 -2.974 -9.128 1.00 0.00 H new ATOM 659 N ASP A 46 -9.931 -2.482 -6.981 1.00 0.00 N ATOM 660 CA ASP A 46 -11.003 -3.449 -6.778 1.00 0.00 C ATOM 661 C ASP A 46 -11.832 -3.090 -5.549 1.00 0.00 C ATOM 662 O ASP A 46 -12.438 -3.958 -4.922 1.00 0.00 O ATOM 663 CB ASP A 46 -10.427 -4.857 -6.628 1.00 0.00 C ATOM 664 CG ASP A 46 -10.294 -5.574 -7.957 1.00 0.00 C ATOM 665 OD1 ASP A 46 -10.053 -4.893 -8.977 1.00 0.00 O ATOM 666 OD2 ASP A 46 -10.428 -6.815 -7.978 1.00 0.00 O ATOM 0 H ASP A 46 -9.094 -2.658 -6.425 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.653 -3.423 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.448 -4.797 -6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.068 -5.440 -5.967 1.00 0.00 H new ATOM 671 N GLY A 47 -11.854 -1.805 -5.210 1.00 0.00 N ATOM 672 CA GLY A 47 -12.610 -1.355 -4.056 1.00 0.00 C ATOM 673 C GLY A 47 -12.205 -2.070 -2.782 1.00 0.00 C ATOM 674 O GLY A 47 -12.965 -2.104 -1.815 1.00 0.00 O ATOM 0 H GLY A 47 -11.362 -1.067 -5.714 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.467 -0.282 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -13.673 -1.516 -4.237 1.00 0.00 H new ATOM 678 N GLU A 48 -11.006 -2.643 -2.783 1.00 0.00 N ATOM 679 CA GLU A 48 -10.504 -3.363 -1.619 1.00 0.00 C ATOM 680 C GLU A 48 -9.524 -2.502 -0.827 1.00 0.00 C ATOM 681 O GLU A 48 -8.496 -2.073 -1.349 1.00 0.00 O ATOM 682 CB GLU A 48 -9.822 -4.664 -2.050 1.00 0.00 C ATOM 683 CG GLU A 48 -10.772 -5.669 -2.679 1.00 0.00 C ATOM 684 CD GLU A 48 -11.693 -6.316 -1.664 1.00 0.00 C ATOM 685 OE1 GLU A 48 -11.858 -5.748 -0.564 1.00 0.00 O ATOM 686 OE2 GLU A 48 -12.249 -7.392 -1.969 1.00 0.00 O ATOM 0 H GLU A 48 -10.365 -2.623 -3.576 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.353 -3.601 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.030 -4.431 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.346 -5.120 -1.182 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.371 -5.170 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.194 -6.443 -3.184 1.00 0.00 H new ATOM 693 N TRP A 49 -9.853 -2.252 0.436 1.00 0.00 N ATOM 694 CA TRP A 49 -9.003 -1.441 1.300 1.00 0.00 C ATOM 695 C TRP A 49 -7.808 -2.246 1.799 1.00 0.00 C ATOM 696 O TRP A 49 -7.938 -3.424 2.134 1.00 0.00 O ATOM 697 CB TRP A 49 -9.807 -0.909 2.487 1.00 0.00 C ATOM 698 CG TRP A 49 -10.789 0.158 2.109 1.00 0.00 C ATOM 699 CD1 TRP A 49 -12.096 -0.019 1.753 1.00 0.00 C ATOM 700 CD2 TRP A 49 -10.542 1.567 2.047 1.00 0.00 C ATOM 701 NE1 TRP A 49 -12.676 1.195 1.474 1.00 0.00 N ATOM 702 CE2 TRP A 49 -11.744 2.184 1.648 1.00 0.00 C ATOM 703 CE3 TRP A 49 -9.423 2.368 2.292 1.00 0.00 C ATOM 704 CZ2 TRP A 49 -11.855 3.563 1.488 1.00 0.00 C ATOM 705 CZ3 TRP A 49 -9.535 3.736 2.133 1.00 0.00 C ATOM 706 CH2 TRP A 49 -10.743 4.322 1.734 1.00 0.00 C ATOM 0 H TRP A 49 -10.701 -2.599 0.884 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.631 -0.599 0.716 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.342 -1.736 2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -9.119 -0.512 3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.599 -0.973 1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.644 1.337 1.184 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -8.487 1.925 2.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.785 4.017 1.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.676 4.364 2.320 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.798 5.394 1.618 1.00 0.00 H new ATOM 717 N TYR A 50 -6.646 -1.604 1.847 1.00 0.00 N ATOM 718 CA TYR A 50 -5.428 -2.262 2.304 1.00 0.00 C ATOM 719 C TYR A 50 -4.543 -1.292 3.081 1.00 0.00 C ATOM 720 O TYR A 50 -4.610 -0.079 2.882 1.00 0.00 O ATOM 721 CB TYR A 50 -4.655 -2.834 1.114 1.00 0.00 C ATOM 722 CG TYR A 50 -5.418 -3.891 0.348 1.00 0.00 C ATOM 723 CD1 TYR A 50 -5.643 -5.148 0.897 1.00 0.00 C ATOM 724 CD2 TYR A 50 -5.914 -3.633 -0.924 1.00 0.00 C ATOM 725 CE1 TYR A 50 -6.339 -6.117 0.200 1.00 0.00 C ATOM 726 CE2 TYR A 50 -6.612 -4.596 -1.627 1.00 0.00 C ATOM 727 CZ TYR A 50 -6.821 -5.836 -1.061 1.00 0.00 C ATOM 728 OH TYR A 50 -7.516 -6.798 -1.757 1.00 0.00 O ATOM 0 H TYR A 50 -6.522 -0.629 1.575 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.713 -3.077 2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.396 -2.021 0.435 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.718 -3.262 1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.268 -5.371 1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.751 -2.663 -1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.505 -7.089 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.992 -4.379 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.787 -6.440 -2.628 1.00 0.00 H new ATOM 738 N ARG A 51 -3.714 -1.836 3.965 1.00 0.00 N ATOM 739 CA ARG A 51 -2.815 -1.020 4.773 1.00 0.00 C ATOM 740 C ARG A 51 -1.681 -0.457 3.922 1.00 0.00 C ATOM 741 O ARG A 51 -1.126 -1.151 3.071 1.00 0.00 O ATOM 742 CB ARG A 51 -2.242 -1.845 5.927 1.00 0.00 C ATOM 743 CG ARG A 51 -3.119 -1.848 7.168 1.00 0.00 C ATOM 744 CD ARG A 51 -2.296 -2.051 8.431 1.00 0.00 C ATOM 745 NE ARG A 51 -2.160 -3.464 8.774 1.00 0.00 N ATOM 746 CZ ARG A 51 -1.216 -4.254 8.274 1.00 0.00 C ATOM 747 NH1 ARG A 51 -0.330 -3.771 7.414 1.00 0.00 N ATOM 748 NH2 ARG A 51 -1.157 -5.529 8.635 1.00 0.00 N ATOM 0 H ARG A 51 -3.646 -2.838 4.140 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.387 -0.187 5.181 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.098 -2.872 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.259 -1.454 6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.662 -0.905 7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.864 -2.640 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.307 -1.615 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.766 -1.520 9.259 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.826 -3.866 9.433 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.372 -2.791 7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.394 -4.380 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.837 -5.904 9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.432 -6.135 8.251 1.00 0.00 H new ATOM 762 N ALA A 52 -1.341 0.806 4.160 1.00 0.00 N ATOM 763 CA ALA A 52 -0.272 1.462 3.417 1.00 0.00 C ATOM 764 C ALA A 52 0.282 2.655 4.190 1.00 0.00 C ATOM 765 O ALA A 52 -0.433 3.290 4.965 1.00 0.00 O ATOM 766 CB ALA A 52 -0.772 1.903 2.050 1.00 0.00 C ATOM 0 H ALA A 52 -1.790 1.395 4.861 1.00 0.00 H new ATOM 0 HA ALA A 52 0.536 0.743 3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.037 2.391 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.112 1.033 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.600 2.602 2.173 1.00 0.00 H new ATOM 772 N ARG A 53 1.559 2.953 3.974 1.00 0.00 N ATOM 773 CA ARG A 53 2.208 4.068 4.652 1.00 0.00 C ATOM 774 C ARG A 53 2.561 5.175 3.662 1.00 0.00 C ATOM 775 O ARG A 53 3.283 4.946 2.691 1.00 0.00 O ATOM 776 CB ARG A 53 3.471 3.590 5.371 1.00 0.00 C ATOM 777 CG ARG A 53 4.196 4.693 6.126 1.00 0.00 C ATOM 778 CD ARG A 53 5.338 4.137 6.962 1.00 0.00 C ATOM 779 NE ARG A 53 5.703 5.034 8.055 1.00 0.00 N ATOM 780 CZ ARG A 53 6.562 4.711 9.015 1.00 0.00 C ATOM 781 NH1 ARG A 53 7.142 3.518 9.017 1.00 0.00 N ATOM 782 NH2 ARG A 53 6.844 5.581 9.976 1.00 0.00 N ATOM 0 H ARG A 53 2.164 2.438 3.335 1.00 0.00 H new ATOM 0 HA ARG A 53 1.510 4.470 5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.203 2.798 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.152 3.153 4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.585 5.425 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.492 5.217 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.051 3.168 7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.206 3.970 6.324 1.00 0.00 H new ATOM 0 HE ARG A 53 5.275 5.959 8.083 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.929 2.846 8.280 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.801 3.273 9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.401 6.500 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.504 5.331 10.713 1.00 0.00 H new ATOM 796 N VAL A 54 2.048 6.374 3.916 1.00 0.00 N ATOM 797 CA VAL A 54 2.309 7.517 3.048 1.00 0.00 C ATOM 798 C VAL A 54 3.806 7.714 2.835 1.00 0.00 C ATOM 799 O VAL A 54 4.549 7.963 3.784 1.00 0.00 O ATOM 800 CB VAL A 54 1.709 8.811 3.628 1.00 0.00 C ATOM 801 CG1 VAL A 54 2.059 10.002 2.749 1.00 0.00 C ATOM 802 CG2 VAL A 54 0.202 8.676 3.782 1.00 0.00 C ATOM 0 H VAL A 54 1.449 6.580 4.716 1.00 0.00 H new ATOM 0 HA VAL A 54 1.834 7.303 2.091 1.00 0.00 H new ATOM 0 HB VAL A 54 2.138 8.980 4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.627 10.908 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.142 10.108 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.659 9.845 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.206 9.599 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.247 8.483 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.022 7.849 4.455 1.00 0.00 H new ATOM 812 N GLU A 55 4.241 7.602 1.584 1.00 0.00 N ATOM 813 CA GLU A 55 5.650 7.768 1.248 1.00 0.00 C ATOM 814 C GLU A 55 5.938 9.199 0.802 1.00 0.00 C ATOM 815 O GLU A 55 6.993 9.756 1.105 1.00 0.00 O ATOM 816 CB GLU A 55 6.053 6.788 0.144 1.00 0.00 C ATOM 817 CG GLU A 55 6.009 5.332 0.577 1.00 0.00 C ATOM 818 CD GLU A 55 6.864 4.437 -0.298 1.00 0.00 C ATOM 819 OE1 GLU A 55 6.589 4.357 -1.513 1.00 0.00 O ATOM 820 OE2 GLU A 55 7.810 3.818 0.232 1.00 0.00 O ATOM 0 H GLU A 55 3.638 7.397 0.787 1.00 0.00 H new ATOM 0 HA GLU A 55 6.237 7.559 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.391 6.924 -0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.062 7.028 -0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.347 5.254 1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.978 4.980 0.552 1.00 0.00 H new ATOM 827 N LYS A 56 4.991 9.790 0.081 1.00 0.00 N ATOM 828 CA LYS A 56 5.140 11.155 -0.407 1.00 0.00 C ATOM 829 C LYS A 56 3.792 11.736 -0.821 1.00 0.00 C ATOM 830 O LYS A 56 3.063 11.137 -1.611 1.00 0.00 O ATOM 831 CB LYS A 56 6.108 11.193 -1.592 1.00 0.00 C ATOM 832 CG LYS A 56 5.802 12.293 -2.593 1.00 0.00 C ATOM 833 CD LYS A 56 6.875 12.386 -3.665 1.00 0.00 C ATOM 834 CE LYS A 56 6.399 13.196 -4.861 1.00 0.00 C ATOM 835 NZ LYS A 56 7.487 13.411 -5.854 1.00 0.00 N ATOM 0 H LYS A 56 4.111 9.344 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 56 5.544 11.761 0.404 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.123 11.327 -1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.081 10.231 -2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.836 12.103 -3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.722 13.248 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.770 12.845 -3.246 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.153 11.384 -3.991 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.567 12.681 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.023 14.161 -4.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.122 13.967 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.271 13.925 -5.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.829 12.491 -6.199 1.00 0.00 H new ATOM 849 N VAL A 57 3.466 12.907 -0.282 1.00 0.00 N ATOM 850 CA VAL A 57 2.206 13.569 -0.597 1.00 0.00 C ATOM 851 C VAL A 57 2.422 14.731 -1.560 1.00 0.00 C ATOM 852 O VAL A 57 2.997 15.755 -1.193 1.00 0.00 O ATOM 853 CB VAL A 57 1.514 14.093 0.675 1.00 0.00 C ATOM 854 CG1 VAL A 57 0.194 14.765 0.327 1.00 0.00 C ATOM 855 CG2 VAL A 57 1.300 12.962 1.669 1.00 0.00 C ATOM 0 H VAL A 57 4.057 13.416 0.375 1.00 0.00 H new ATOM 0 HA VAL A 57 1.566 12.824 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 57 2.161 14.837 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.280 15.129 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.378 15.603 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.463 14.045 -0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.810 13.350 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.674 12.193 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.263 12.531 1.942 1.00 0.00 H new ATOM 865 N GLU A 58 1.957 14.564 -2.794 1.00 0.00 N ATOM 866 CA GLU A 58 2.100 15.600 -3.811 1.00 0.00 C ATOM 867 C GLU A 58 0.919 16.566 -3.774 1.00 0.00 C ATOM 868 O GLU A 58 1.071 17.737 -3.427 1.00 0.00 O ATOM 869 CB GLU A 58 2.215 14.970 -5.200 1.00 0.00 C ATOM 870 CG GLU A 58 3.631 14.558 -5.567 1.00 0.00 C ATOM 871 CD GLU A 58 4.564 15.744 -5.713 1.00 0.00 C ATOM 872 OE1 GLU A 58 5.159 16.160 -4.697 1.00 0.00 O ATOM 873 OE2 GLU A 58 4.699 16.257 -6.844 1.00 0.00 O ATOM 0 H GLU A 58 1.478 13.722 -3.114 1.00 0.00 H new ATOM 0 HA GLU A 58 3.011 16.159 -3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.567 14.095 -5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.848 15.679 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.020 13.887 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.612 13.998 -6.502 1.00 0.00 H new ATOM 880 N SER A 59 -0.259 16.065 -4.134 1.00 0.00 N ATOM 881 CA SER A 59 -1.466 16.883 -4.147 1.00 0.00 C ATOM 882 C SER A 59 -2.657 16.101 -3.602 1.00 0.00 C ATOM 883 O SER A 59 -2.655 14.871 -3.553 1.00 0.00 O ATOM 884 CB SER A 59 -1.765 17.366 -5.567 1.00 0.00 C ATOM 885 OG SER A 59 -0.569 17.554 -6.304 1.00 0.00 O ATOM 0 H SER A 59 -0.403 15.097 -4.420 1.00 0.00 H new ATOM 0 HA SER A 59 -1.297 17.748 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.399 16.640 -6.076 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.322 18.302 -5.526 1.00 0.00 H new ATOM 0 HG SER A 59 -0.787 17.861 -7.209 1.00 0.00 H new ATOM 891 N PRO A 60 -3.701 16.832 -3.182 1.00 0.00 N ATOM 892 CA PRO A 60 -4.920 16.229 -2.634 1.00 0.00 C ATOM 893 C PRO A 60 -5.446 15.092 -3.503 1.00 0.00 C ATOM 894 O PRO A 60 -6.252 14.277 -3.054 1.00 0.00 O ATOM 895 CB PRO A 60 -5.914 17.393 -2.616 1.00 0.00 C ATOM 896 CG PRO A 60 -5.066 18.614 -2.524 1.00 0.00 C ATOM 897 CD PRO A 60 -3.772 18.302 -3.211 1.00 0.00 C ATOM 0 HA PRO A 60 -4.749 15.782 -1.655 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.527 17.404 -3.517 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.595 17.319 -1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.559 19.463 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.894 18.886 -1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.760 18.682 -4.232 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.926 18.753 -2.693 1.00 0.00 H new ATOM 905 N ALA A 61 -4.985 15.044 -4.748 1.00 0.00 N ATOM 906 CA ALA A 61 -5.408 14.005 -5.679 1.00 0.00 C ATOM 907 C ALA A 61 -4.300 12.980 -5.898 1.00 0.00 C ATOM 908 O ALA A 61 -4.563 11.837 -6.275 1.00 0.00 O ATOM 909 CB ALA A 61 -5.827 14.623 -7.005 1.00 0.00 C ATOM 0 H ALA A 61 -4.319 15.712 -5.135 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.264 13.489 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.140 13.836 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.656 15.311 -6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.985 15.165 -7.436 1.00 0.00 H new ATOM 915 N LYS A 62 -3.061 13.395 -5.660 1.00 0.00 N ATOM 916 CA LYS A 62 -1.912 12.513 -5.830 1.00 0.00 C ATOM 917 C LYS A 62 -1.198 12.288 -4.501 1.00 0.00 C ATOM 918 O LYS A 62 -0.612 13.212 -3.937 1.00 0.00 O ATOM 919 CB LYS A 62 -0.938 13.103 -6.852 1.00 0.00 C ATOM 920 CG LYS A 62 -1.461 13.076 -8.277 1.00 0.00 C ATOM 921 CD LYS A 62 -0.333 12.917 -9.283 1.00 0.00 C ATOM 922 CE LYS A 62 -0.794 12.170 -10.525 1.00 0.00 C ATOM 923 NZ LYS A 62 -1.392 10.848 -10.186 1.00 0.00 N ATOM 0 H LYS A 62 -2.826 14.337 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.273 11.552 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.715 14.133 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.001 12.550 -6.808 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.169 12.255 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.006 13.997 -8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.044 13.900 -9.567 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.495 12.380 -8.821 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.527 12.773 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.052 12.025 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -0.924 10.103 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.262 10.658 -9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.408 10.859 -10.409 1.00 0.00 H new ATOM 937 N ILE A 63 -1.249 11.055 -4.009 1.00 0.00 N ATOM 938 CA ILE A 63 -0.604 10.709 -2.748 1.00 0.00 C ATOM 939 C ILE A 63 0.213 9.429 -2.882 1.00 0.00 C ATOM 940 O ILE A 63 -0.340 8.333 -2.979 1.00 0.00 O ATOM 941 CB ILE A 63 -1.636 10.531 -1.618 1.00 0.00 C ATOM 942 CG1 ILE A 63 -2.735 11.589 -1.730 1.00 0.00 C ATOM 943 CG2 ILE A 63 -0.953 10.610 -0.261 1.00 0.00 C ATOM 944 CD1 ILE A 63 -2.315 12.952 -1.227 1.00 0.00 C ATOM 0 H ILE A 63 -1.730 10.279 -4.464 1.00 0.00 H new ATOM 0 HA ILE A 63 0.060 11.536 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.095 9.547 -1.716 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.041 11.674 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.607 11.256 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.695 10.483 0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.203 9.823 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.471 11.582 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.144 13.652 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.036 12.882 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.462 13.306 -1.805 1.00 0.00 H new ATOM 956 N HIS A 64 1.535 9.575 -2.884 1.00 0.00 N ATOM 957 CA HIS A 64 2.430 8.429 -3.004 1.00 0.00 C ATOM 958 C HIS A 64 2.411 7.590 -1.729 1.00 0.00 C ATOM 959 O HIS A 64 2.781 8.065 -0.656 1.00 0.00 O ATOM 960 CB HIS A 64 3.855 8.898 -3.299 1.00 0.00 C ATOM 961 CG HIS A 64 3.966 9.737 -4.534 1.00 0.00 C ATOM 962 ND1 HIS A 64 4.812 9.430 -5.579 1.00 0.00 N ATOM 963 CD2 HIS A 64 3.330 10.877 -4.890 1.00 0.00 C ATOM 964 CE1 HIS A 64 4.693 10.347 -6.523 1.00 0.00 C ATOM 965 NE2 HIS A 64 3.799 11.236 -6.129 1.00 0.00 N ATOM 0 H HIS A 64 2.009 10.474 -2.804 1.00 0.00 H new ATOM 0 HA HIS A 64 2.081 7.810 -3.831 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.224 9.469 -2.447 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.501 8.026 -3.403 1.00 0.00 H new ATOM 0 HD1 HIS A 64 5.433 8.621 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.591 11.406 -4.307 1.00 0.00 H new ATOM 0 HE1 HIS A 64 5.234 10.366 -7.457 1.00 0.00 H new ATOM 973 N VAL A 65 1.976 6.340 -1.856 1.00 0.00 N ATOM 974 CA VAL A 65 1.909 5.435 -0.715 1.00 0.00 C ATOM 975 C VAL A 65 2.525 4.081 -1.051 1.00 0.00 C ATOM 976 O VAL A 65 2.836 3.799 -2.208 1.00 0.00 O ATOM 977 CB VAL A 65 0.456 5.225 -0.250 1.00 0.00 C ATOM 978 CG1 VAL A 65 -0.006 6.397 0.603 1.00 0.00 C ATOM 979 CG2 VAL A 65 -0.463 5.030 -1.446 1.00 0.00 C ATOM 0 H VAL A 65 1.665 5.932 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 65 2.477 5.899 0.091 1.00 0.00 H new ATOM 0 HB VAL A 65 0.415 4.323 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.035 6.231 0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.636 6.485 1.479 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.049 7.316 0.019 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.486 4.883 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.420 5.912 -2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.143 4.155 -2.012 1.00 0.00 H new ATOM 989 N PHE A 66 2.696 3.246 -0.031 1.00 0.00 N ATOM 990 CA PHE A 66 3.275 1.921 -0.218 1.00 0.00 C ATOM 991 C PHE A 66 2.527 0.879 0.609 1.00 0.00 C ATOM 992 O PHE A 66 2.494 0.953 1.838 1.00 0.00 O ATOM 993 CB PHE A 66 4.755 1.928 0.169 1.00 0.00 C ATOM 994 CG PHE A 66 5.289 0.570 0.525 1.00 0.00 C ATOM 995 CD1 PHE A 66 5.700 -0.308 -0.465 1.00 0.00 C ATOM 996 CD2 PHE A 66 5.380 0.172 1.849 1.00 0.00 C ATOM 997 CE1 PHE A 66 6.190 -1.559 -0.140 1.00 0.00 C ATOM 998 CE2 PHE A 66 5.870 -1.078 2.180 1.00 0.00 C ATOM 999 CZ PHE A 66 6.276 -1.944 1.184 1.00 0.00 C ATOM 0 H PHE A 66 2.442 3.463 0.933 1.00 0.00 H new ATOM 0 HA PHE A 66 3.183 1.658 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.337 2.332 -0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.897 2.599 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.637 -0.012 -1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.065 0.846 2.632 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.505 -2.235 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.935 -1.376 3.216 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.660 -2.921 1.440 1.00 0.00 H new ATOM 1009 N TYR A 67 1.926 -0.089 -0.074 1.00 0.00 N ATOM 1010 CA TYR A 67 1.175 -1.144 0.596 1.00 0.00 C ATOM 1011 C TYR A 67 2.098 -2.015 1.443 1.00 0.00 C ATOM 1012 O TYR A 67 2.908 -2.777 0.915 1.00 0.00 O ATOM 1013 CB TYR A 67 0.441 -2.007 -0.431 1.00 0.00 C ATOM 1014 CG TYR A 67 -0.663 -1.275 -1.159 1.00 0.00 C ATOM 1015 CD1 TYR A 67 -0.371 -0.351 -2.156 1.00 0.00 C ATOM 1016 CD2 TYR A 67 -1.998 -1.506 -0.851 1.00 0.00 C ATOM 1017 CE1 TYR A 67 -1.377 0.321 -2.823 1.00 0.00 C ATOM 1018 CE2 TYR A 67 -3.010 -0.840 -1.515 1.00 0.00 C ATOM 1019 CZ TYR A 67 -2.694 0.073 -2.499 1.00 0.00 C ATOM 1020 OH TYR A 67 -3.699 0.740 -3.163 1.00 0.00 O ATOM 0 H TYR A 67 1.944 -0.165 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 67 0.444 -0.674 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.160 -2.380 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.018 -2.876 0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.659 -0.155 -2.413 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.249 -2.219 -0.079 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.133 1.037 -3.594 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.043 -1.033 -1.265 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.569 0.450 -2.816 1.00 0.00 H new ATOM 1030 N ILE A 68 1.968 -1.897 2.760 1.00 0.00 N ATOM 1031 CA ILE A 68 2.788 -2.675 3.681 1.00 0.00 C ATOM 1032 C ILE A 68 2.209 -4.070 3.888 1.00 0.00 C ATOM 1033 O ILE A 68 2.553 -4.760 4.849 1.00 0.00 O ATOM 1034 CB ILE A 68 2.916 -1.976 5.048 1.00 0.00 C ATOM 1035 CG1 ILE A 68 1.637 -2.169 5.865 1.00 0.00 C ATOM 1036 CG2 ILE A 68 3.213 -0.496 4.860 1.00 0.00 C ATOM 1037 CD1 ILE A 68 1.731 -1.621 7.272 1.00 0.00 C ATOM 0 H ILE A 68 1.303 -1.270 3.213 1.00 0.00 H new ATOM 0 HA ILE A 68 3.777 -2.758 3.230 1.00 0.00 H new ATOM 0 HB ILE A 68 3.745 -2.426 5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.809 -1.683 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.403 -3.232 5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 68 3.301 -0.016 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 68 4.148 -0.379 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.403 -0.031 4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.789 -1.792 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.537 -2.124 7.805 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.934 -0.551 7.233 1.00 0.00 H new ATOM 1049 N ASP A 69 1.330 -4.481 2.981 1.00 0.00 N ATOM 1050 CA ASP A 69 0.705 -5.796 3.061 1.00 0.00 C ATOM 1051 C ASP A 69 1.218 -6.710 1.953 1.00 0.00 C ATOM 1052 O ASP A 69 1.302 -7.926 2.127 1.00 0.00 O ATOM 1053 CB ASP A 69 -0.816 -5.668 2.971 1.00 0.00 C ATOM 1054 CG ASP A 69 -1.372 -4.656 3.954 1.00 0.00 C ATOM 1055 OD1 ASP A 69 -1.140 -4.822 5.169 1.00 0.00 O ATOM 1056 OD2 ASP A 69 -2.039 -3.699 3.507 1.00 0.00 O ATOM 0 H ASP A 69 1.034 -3.922 2.181 1.00 0.00 H new ATOM 0 HA ASP A 69 0.968 -6.238 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.094 -5.376 1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.271 -6.640 3.159 1.00 0.00 H new ATOM 1061 N TYR A 70 1.559 -6.117 0.815 1.00 0.00 N ATOM 1062 CA TYR A 70 2.061 -6.879 -0.323 1.00 0.00 C ATOM 1063 C TYR A 70 3.470 -6.432 -0.699 1.00 0.00 C ATOM 1064 O TYR A 70 4.352 -7.256 -0.938 1.00 0.00 O ATOM 1065 CB TYR A 70 1.126 -6.718 -1.523 1.00 0.00 C ATOM 1066 CG TYR A 70 -0.288 -7.184 -1.256 1.00 0.00 C ATOM 1067 CD1 TYR A 70 -1.141 -6.448 -0.442 1.00 0.00 C ATOM 1068 CD2 TYR A 70 -0.771 -8.359 -1.818 1.00 0.00 C ATOM 1069 CE1 TYR A 70 -2.432 -6.871 -0.194 1.00 0.00 C ATOM 1070 CE2 TYR A 70 -2.062 -8.789 -1.577 1.00 0.00 C ATOM 1071 CZ TYR A 70 -2.888 -8.041 -0.764 1.00 0.00 C ATOM 1072 OH TYR A 70 -4.175 -8.464 -0.521 1.00 0.00 O ATOM 0 H TYR A 70 1.497 -5.111 0.655 1.00 0.00 H new ATOM 0 HA TYR A 70 2.097 -7.930 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.104 -5.669 -1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.531 -7.278 -2.366 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.788 -5.530 0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.126 -8.947 -2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.081 -6.289 0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -2.422 -9.705 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.738 -7.691 -0.306 1.00 0.00 H new ATOM 1082 N GLY A 71 3.674 -5.119 -0.749 1.00 0.00 N ATOM 1083 CA GLY A 71 4.978 -4.583 -1.096 1.00 0.00 C ATOM 1084 C GLY A 71 4.973 -3.865 -2.431 1.00 0.00 C ATOM 1085 O GLY A 71 5.879 -4.045 -3.243 1.00 0.00 O ATOM 0 H GLY A 71 2.960 -4.417 -0.555 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.303 -3.893 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.705 -5.395 -1.126 1.00 0.00 H new ATOM 1089 N ASN A 72 3.948 -3.050 -2.659 1.00 0.00 N ATOM 1090 CA ASN A 72 3.828 -2.304 -3.906 1.00 0.00 C ATOM 1091 C ASN A 72 3.463 -0.848 -3.636 1.00 0.00 C ATOM 1092 O ASN A 72 2.846 -0.530 -2.619 1.00 0.00 O ATOM 1093 CB ASN A 72 2.774 -2.947 -4.810 1.00 0.00 C ATOM 1094 CG ASN A 72 1.372 -2.812 -4.248 1.00 0.00 C ATOM 1095 OD1 ASN A 72 1.079 -3.299 -3.156 1.00 0.00 O ATOM 1096 ND2 ASN A 72 0.496 -2.149 -4.995 1.00 0.00 N ATOM 0 H ASN A 72 3.189 -2.890 -1.997 1.00 0.00 H new ATOM 0 HA ASN A 72 4.794 -2.330 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.814 -2.484 -5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.009 -4.003 -4.944 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.463 -2.027 -4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 72 0.782 -1.762 -5.894 1.00 0.00 H new ATOM 1103 N ARG A 73 3.849 0.033 -4.553 1.00 0.00 N ATOM 1104 CA ARG A 73 3.562 1.456 -4.414 1.00 0.00 C ATOM 1105 C ARG A 73 2.548 1.912 -5.459 1.00 0.00 C ATOM 1106 O ARG A 73 2.488 1.364 -6.559 1.00 0.00 O ATOM 1107 CB ARG A 73 4.849 2.272 -4.547 1.00 0.00 C ATOM 1108 CG ARG A 73 5.899 1.930 -3.502 1.00 0.00 C ATOM 1109 CD ARG A 73 6.727 0.724 -3.918 1.00 0.00 C ATOM 1110 NE ARG A 73 7.818 1.093 -4.816 1.00 0.00 N ATOM 1111 CZ ARG A 73 7.724 1.054 -6.141 1.00 0.00 C ATOM 1112 NH1 ARG A 73 6.595 0.666 -6.718 1.00 0.00 N ATOM 1113 NH2 ARG A 73 8.761 1.405 -6.891 1.00 0.00 N ATOM 0 H ARG A 73 4.361 -0.213 -5.400 1.00 0.00 H new ATOM 0 HA ARG A 73 3.136 1.620 -3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.270 2.111 -5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.606 3.332 -4.472 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.554 2.787 -3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.412 1.727 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.136 0.241 -3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.083 -0.005 -4.410 1.00 0.00 H new ATOM 0 HE ARG A 73 8.700 1.397 -4.404 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.796 0.396 -6.145 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.526 0.637 -7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 73 9.631 1.705 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.688 1.375 -7.908 1.00 0.00 H new ATOM 1127 N GLU A 74 1.752 2.916 -5.105 1.00 0.00 N ATOM 1128 CA GLU A 74 0.740 3.443 -6.012 1.00 0.00 C ATOM 1129 C GLU A 74 0.348 4.866 -5.623 1.00 0.00 C ATOM 1130 O GLU A 74 0.137 5.164 -4.447 1.00 0.00 O ATOM 1131 CB GLU A 74 -0.498 2.543 -6.009 1.00 0.00 C ATOM 1132 CG GLU A 74 -1.549 2.950 -7.028 1.00 0.00 C ATOM 1133 CD GLU A 74 -1.145 2.609 -8.450 1.00 0.00 C ATOM 1134 OE1 GLU A 74 -0.656 1.482 -8.673 1.00 0.00 O ATOM 1135 OE2 GLU A 74 -1.318 3.469 -9.339 1.00 0.00 O ATOM 0 H GLU A 74 1.789 3.380 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 74 1.164 3.463 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.191 1.516 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.944 2.556 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.490 2.453 -6.792 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.727 4.023 -6.952 1.00 0.00 H new ATOM 1142 N VAL A 75 0.254 5.741 -6.619 1.00 0.00 N ATOM 1143 CA VAL A 75 -0.113 7.132 -6.382 1.00 0.00 C ATOM 1144 C VAL A 75 -1.626 7.314 -6.405 1.00 0.00 C ATOM 1145 O VAL A 75 -2.231 7.452 -7.469 1.00 0.00 O ATOM 1146 CB VAL A 75 0.521 8.066 -7.431 1.00 0.00 C ATOM 1147 CG1 VAL A 75 0.056 9.499 -7.221 1.00 0.00 C ATOM 1148 CG2 VAL A 75 2.038 7.975 -7.377 1.00 0.00 C ATOM 0 H VAL A 75 0.427 5.511 -7.598 1.00 0.00 H new ATOM 0 HA VAL A 75 0.266 7.395 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 75 0.196 7.746 -8.421 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.514 10.144 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.029 9.547 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.349 9.835 -6.226 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.469 8.641 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.385 8.268 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.349 6.950 -7.582 1.00 0.00 H new ATOM 1158 N LEU A 76 -2.234 7.313 -5.223 1.00 0.00 N ATOM 1159 CA LEU A 76 -3.679 7.478 -5.106 1.00 0.00 C ATOM 1160 C LEU A 76 -4.021 8.773 -4.378 1.00 0.00 C ATOM 1161 O LEU A 76 -3.252 9.276 -3.558 1.00 0.00 O ATOM 1162 CB LEU A 76 -4.290 6.286 -4.366 1.00 0.00 C ATOM 1163 CG LEU A 76 -3.819 4.903 -4.817 1.00 0.00 C ATOM 1164 CD1 LEU A 76 -3.864 3.920 -3.658 1.00 0.00 C ATOM 1165 CD2 LEU A 76 -4.669 4.403 -5.976 1.00 0.00 C ATOM 0 H LEU A 76 -1.749 7.200 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.098 7.527 -6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.072 6.393 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.373 6.332 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.787 4.984 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.525 2.941 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.213 4.271 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.886 3.842 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.320 3.417 -6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.711 4.337 -5.661 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.586 5.096 -6.813 1.00 0.00 H new ATOM 1177 N PRO A 77 -5.205 9.327 -4.680 1.00 0.00 N ATOM 1178 CA PRO A 77 -5.678 10.570 -4.064 1.00 0.00 C ATOM 1179 C PRO A 77 -6.029 10.389 -2.591 1.00 0.00 C ATOM 1180 O PRO A 77 -6.014 9.273 -2.072 1.00 0.00 O ATOM 1181 CB PRO A 77 -6.931 10.914 -4.873 1.00 0.00 C ATOM 1182 CG PRO A 77 -7.407 9.607 -5.407 1.00 0.00 C ATOM 1183 CD PRO A 77 -6.172 8.783 -5.648 1.00 0.00 C ATOM 0 HA PRO A 77 -4.916 11.349 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -7.689 11.386 -4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.703 11.612 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.072 9.115 -4.698 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.971 9.744 -6.330 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.357 7.722 -5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.815 8.884 -6.673 1.00 0.00 H new ATOM 1191 N SER A 78 -6.344 11.494 -1.922 1.00 0.00 N ATOM 1192 CA SER A 78 -6.696 11.457 -0.508 1.00 0.00 C ATOM 1193 C SER A 78 -8.090 10.869 -0.309 1.00 0.00 C ATOM 1194 O SER A 78 -8.535 10.663 0.820 1.00 0.00 O ATOM 1195 CB SER A 78 -6.633 12.863 0.092 1.00 0.00 C ATOM 1196 OG SER A 78 -7.415 12.951 1.271 1.00 0.00 O ATOM 0 H SER A 78 -6.362 12.426 -2.337 1.00 0.00 H new ATOM 0 HA SER A 78 -5.975 10.818 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.598 13.119 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.988 13.590 -0.639 1.00 0.00 H new ATOM 0 HG SER A 78 -7.685 12.052 1.552 1.00 0.00 H new ATOM 1202 N THR A 79 -8.775 10.600 -1.416 1.00 0.00 N ATOM 1203 CA THR A 79 -10.118 10.037 -1.366 1.00 0.00 C ATOM 1204 C THR A 79 -10.078 8.546 -1.051 1.00 0.00 C ATOM 1205 O THR A 79 -10.842 8.057 -0.219 1.00 0.00 O ATOM 1206 CB THR A 79 -10.866 10.249 -2.696 1.00 0.00 C ATOM 1207 OG1 THR A 79 -10.199 9.548 -3.751 1.00 0.00 O ATOM 1208 CG2 THR A 79 -10.951 11.729 -3.039 1.00 0.00 C ATOM 0 H THR A 79 -8.421 10.763 -2.359 1.00 0.00 H new ATOM 0 HA THR A 79 -10.650 10.559 -0.571 1.00 0.00 H new ATOM 0 HB THR A 79 -11.878 9.859 -2.584 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.682 9.687 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.483 11.854 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.485 12.256 -2.248 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.945 12.139 -3.133 1.00 0.00 H new ATOM 1216 N ARG A 80 -9.182 7.829 -1.721 1.00 0.00 N ATOM 1217 CA ARG A 80 -9.043 6.393 -1.512 1.00 0.00 C ATOM 1218 C ARG A 80 -8.325 6.101 -0.198 1.00 0.00 C ATOM 1219 O ARG A 80 -8.179 4.945 0.200 1.00 0.00 O ATOM 1220 CB ARG A 80 -8.278 5.758 -2.675 1.00 0.00 C ATOM 1221 CG ARG A 80 -8.394 6.535 -3.976 1.00 0.00 C ATOM 1222 CD ARG A 80 -8.184 5.634 -5.183 1.00 0.00 C ATOM 1223 NE ARG A 80 -8.614 6.274 -6.424 1.00 0.00 N ATOM 1224 CZ ARG A 80 -8.883 5.605 -7.540 1.00 0.00 C ATOM 1225 NH1 ARG A 80 -8.768 4.285 -7.570 1.00 0.00 N ATOM 1226 NH2 ARG A 80 -9.268 6.258 -8.629 1.00 0.00 N ATOM 0 H ARG A 80 -8.542 8.219 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 80 -10.042 5.961 -1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -7.226 5.674 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.648 4.745 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -9.377 7.002 -4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.658 7.339 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.130 5.368 -5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.737 4.705 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.713 7.289 -6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -8.472 3.780 -6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -8.975 3.774 -8.428 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -9.358 7.274 -8.610 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.474 5.744 -9.486 1.00 0.00 H new ATOM 1240 N LEU A 81 -7.877 7.158 0.473 1.00 0.00 N ATOM 1241 CA LEU A 81 -7.174 7.016 1.743 1.00 0.00 C ATOM 1242 C LEU A 81 -8.103 7.310 2.916 1.00 0.00 C ATOM 1243 O LEU A 81 -8.968 8.181 2.833 1.00 0.00 O ATOM 1244 CB LEU A 81 -5.966 7.953 1.786 1.00 0.00 C ATOM 1245 CG LEU A 81 -4.915 7.746 0.695 1.00 0.00 C ATOM 1246 CD1 LEU A 81 -3.933 8.907 0.671 1.00 0.00 C ATOM 1247 CD2 LEU A 81 -4.182 6.429 0.903 1.00 0.00 C ATOM 0 H LEU A 81 -7.988 8.122 0.158 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.830 5.985 1.827 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.326 8.980 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.480 7.842 2.756 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.423 7.708 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.193 8.741 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.471 9.834 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.431 8.979 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.438 6.299 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.687 6.438 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.896 5.606 0.867 1.00 0.00 H new ATOM 1259 N GLY A 82 -7.915 6.579 4.011 1.00 0.00 N ATOM 1260 CA GLY A 82 -8.743 6.778 5.186 1.00 0.00 C ATOM 1261 C GLY A 82 -7.998 6.491 6.475 1.00 0.00 C ATOM 1262 O GLY A 82 -6.877 5.982 6.453 1.00 0.00 O ATOM 0 H GLY A 82 -7.205 5.853 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.106 7.806 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.618 6.131 5.124 1.00 0.00 H new ATOM 1266 N THR A 83 -8.621 6.820 7.603 1.00 0.00 N ATOM 1267 CA THR A 83 -8.009 6.597 8.907 1.00 0.00 C ATOM 1268 C THR A 83 -7.903 5.108 9.217 1.00 0.00 C ATOM 1269 O THR A 83 -8.911 4.402 9.275 1.00 0.00 O ATOM 1270 CB THR A 83 -8.808 7.288 10.028 1.00 0.00 C ATOM 1271 OG1 THR A 83 -9.141 8.625 9.639 1.00 0.00 O ATOM 1272 CG2 THR A 83 -8.011 7.315 11.323 1.00 0.00 C ATOM 0 H THR A 83 -9.549 7.242 7.639 1.00 0.00 H new ATOM 0 HA THR A 83 -7.009 7.029 8.865 1.00 0.00 H new ATOM 0 HB THR A 83 -9.723 6.720 10.195 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.650 9.057 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 83 -8.596 7.808 12.100 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.784 6.295 11.632 1.00 0.00 H new ATOM 0 HG23 THR A 83 -7.081 7.862 11.167 1.00 0.00 H new ATOM 1280 N LEU A 84 -6.678 4.636 9.417 1.00 0.00 N ATOM 1281 CA LEU A 84 -6.440 3.229 9.723 1.00 0.00 C ATOM 1282 C LEU A 84 -6.773 2.925 11.180 1.00 0.00 C ATOM 1283 O LEU A 84 -6.100 3.402 12.094 1.00 0.00 O ATOM 1284 CB LEU A 84 -4.984 2.863 9.434 1.00 0.00 C ATOM 1285 CG LEU A 84 -4.493 1.542 10.028 1.00 0.00 C ATOM 1286 CD1 LEU A 84 -5.335 0.382 9.519 1.00 0.00 C ATOM 1287 CD2 LEU A 84 -3.024 1.322 9.698 1.00 0.00 C ATOM 0 H LEU A 84 -5.834 5.206 9.373 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.092 2.629 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.848 2.825 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.348 3.665 9.808 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.598 1.592 11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.971 -0.550 9.952 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.375 0.534 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.263 0.329 8.433 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.692 0.377 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.895 1.293 8.616 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.432 2.138 10.113 1.00 0.00 H new ATOM 1299 N SER A 85 -7.815 2.127 11.389 1.00 0.00 N ATOM 1300 CA SER A 85 -8.239 1.760 12.736 1.00 0.00 C ATOM 1301 C SER A 85 -7.111 1.059 13.488 1.00 0.00 C ATOM 1302 O SER A 85 -6.319 0.311 12.914 1.00 0.00 O ATOM 1303 CB SER A 85 -9.469 0.853 12.677 1.00 0.00 C ATOM 1304 OG SER A 85 -9.825 0.391 13.968 1.00 0.00 O ATOM 0 H SER A 85 -8.381 1.722 10.644 1.00 0.00 H new ATOM 0 HA SER A 85 -8.496 2.674 13.271 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.305 1.398 12.239 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.266 0.002 12.026 1.00 0.00 H new ATOM 0 HG SER A 85 -10.615 -0.185 13.903 1.00 0.00 H new ATOM 1310 N PRO A 86 -7.037 1.305 14.804 1.00 0.00 N ATOM 1311 CA PRO A 86 -6.011 0.707 15.664 1.00 0.00 C ATOM 1312 C PRO A 86 -6.218 -0.791 15.857 1.00 0.00 C ATOM 1313 O PRO A 86 -5.298 -1.509 16.248 1.00 0.00 O ATOM 1314 CB PRO A 86 -6.188 1.446 16.993 1.00 0.00 C ATOM 1315 CG PRO A 86 -7.608 1.897 16.990 1.00 0.00 C ATOM 1316 CD PRO A 86 -7.948 2.186 15.554 1.00 0.00 C ATOM 0 HA PRO A 86 -5.013 0.804 15.236 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.982 0.792 17.840 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -5.504 2.291 17.070 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.263 1.127 17.399 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.736 2.786 17.608 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.992 1.964 15.336 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.787 3.235 15.306 1.00 0.00 H new ATOM 1324 N ALA A 87 -7.431 -1.257 15.579 1.00 0.00 N ATOM 1325 CA ALA A 87 -7.757 -2.671 15.719 1.00 0.00 C ATOM 1326 C ALA A 87 -7.249 -3.473 14.526 1.00 0.00 C ATOM 1327 O ALA A 87 -6.905 -4.648 14.655 1.00 0.00 O ATOM 1328 CB ALA A 87 -9.259 -2.853 15.879 1.00 0.00 C ATOM 0 H ALA A 87 -8.204 -0.676 15.255 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.259 -3.046 16.613 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.488 -3.914 15.982 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.597 -2.320 16.768 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.769 -2.456 15.002 1.00 0.00 H new ATOM 1334 N PHE A 88 -7.205 -2.831 13.363 1.00 0.00 N ATOM 1335 CA PHE A 88 -6.741 -3.485 12.145 1.00 0.00 C ATOM 1336 C PHE A 88 -5.323 -3.042 11.796 1.00 0.00 C ATOM 1337 O PHE A 88 -4.663 -3.644 10.950 1.00 0.00 O ATOM 1338 CB PHE A 88 -7.685 -3.175 10.982 1.00 0.00 C ATOM 1339 CG PHE A 88 -9.135 -3.386 11.314 1.00 0.00 C ATOM 1340 CD1 PHE A 88 -9.562 -4.572 11.889 1.00 0.00 C ATOM 1341 CD2 PHE A 88 -10.070 -2.398 11.051 1.00 0.00 C ATOM 1342 CE1 PHE A 88 -10.895 -4.769 12.197 1.00 0.00 C ATOM 1343 CE2 PHE A 88 -11.405 -2.590 11.356 1.00 0.00 C ATOM 1344 CZ PHE A 88 -11.818 -3.777 11.929 1.00 0.00 C ATOM 0 H PHE A 88 -7.485 -1.858 13.239 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.734 -4.561 12.321 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.538 -2.141 10.671 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.420 -3.804 10.132 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.845 -5.352 12.099 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.753 -1.468 10.603 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.214 -5.698 12.647 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.124 -1.812 11.146 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.860 -3.929 12.167 1.00 0.00 H new ATOM 1354 N SER A 89 -4.862 -1.983 12.455 1.00 0.00 N ATOM 1355 CA SER A 89 -3.524 -1.455 12.212 1.00 0.00 C ATOM 1356 C SER A 89 -2.480 -2.565 12.284 1.00 0.00 C ATOM 1357 O SER A 89 -2.683 -3.582 12.949 1.00 0.00 O ATOM 1358 CB SER A 89 -3.193 -0.361 13.228 1.00 0.00 C ATOM 1359 OG SER A 89 -2.879 -0.917 14.493 1.00 0.00 O ATOM 0 H SER A 89 -5.395 -1.474 13.161 1.00 0.00 H new ATOM 0 HA SER A 89 -3.505 -1.028 11.209 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.351 0.231 12.868 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.041 0.317 13.326 1.00 0.00 H new ATOM 0 HG SER A 89 -3.707 -1.106 14.982 1.00 0.00 H new ATOM 1365 N THR A 90 -1.362 -2.363 11.595 1.00 0.00 N ATOM 1366 CA THR A 90 -0.286 -3.346 11.579 1.00 0.00 C ATOM 1367 C THR A 90 0.207 -3.644 12.991 1.00 0.00 C ATOM 1368 O THR A 90 0.745 -4.720 13.256 1.00 0.00 O ATOM 1369 CB THR A 90 0.902 -2.865 10.724 1.00 0.00 C ATOM 1370 OG1 THR A 90 1.959 -3.831 10.766 1.00 0.00 O ATOM 1371 CG2 THR A 90 1.416 -1.521 11.218 1.00 0.00 C ATOM 0 H THR A 90 -1.178 -1.527 11.040 1.00 0.00 H new ATOM 0 HA THR A 90 -0.695 -4.256 11.140 1.00 0.00 H new ATOM 0 HB THR A 90 0.558 -2.748 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.586 -4.730 10.649 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.255 -1.202 10.599 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.618 -0.781 11.157 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.745 -1.615 12.253 1.00 0.00 H new ATOM 1379 N ARG A 91 0.021 -2.686 13.893 1.00 0.00 N ATOM 1380 CA ARG A 91 0.447 -2.847 15.277 1.00 0.00 C ATOM 1381 C ARG A 91 0.116 -4.246 15.789 1.00 0.00 C ATOM 1382 O ARG A 91 0.772 -4.758 16.697 1.00 0.00 O ATOM 1383 CB ARG A 91 -0.222 -1.796 16.165 1.00 0.00 C ATOM 1384 CG ARG A 91 0.020 -0.367 15.705 1.00 0.00 C ATOM 1385 CD ARG A 91 -0.709 0.633 16.587 1.00 0.00 C ATOM 1386 NE ARG A 91 -0.124 0.713 17.923 1.00 0.00 N ATOM 1387 CZ ARG A 91 -0.443 -0.110 18.916 1.00 0.00 C ATOM 1388 NH1 ARG A 91 -1.337 -1.071 18.723 1.00 0.00 N ATOM 1389 NH2 ARG A 91 0.132 0.026 20.103 1.00 0.00 N ATOM 0 H ARG A 91 -0.422 -1.790 13.690 1.00 0.00 H new ATOM 0 HA ARG A 91 1.528 -2.711 15.316 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.295 -1.984 16.190 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.145 -1.908 17.185 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.089 -0.155 15.720 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.313 -0.254 14.673 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.680 1.617 16.119 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.758 0.348 16.667 1.00 0.00 H new ATOM 0 HE ARG A 91 0.567 1.441 18.104 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -1.781 -1.179 17.811 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.581 -1.702 19.487 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.820 0.763 20.255 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.114 -0.607 20.864 1.00 0.00 H new ATOM 1403 N VAL A 92 -0.907 -4.859 15.202 1.00 0.00 N ATOM 1404 CA VAL A 92 -1.326 -6.198 15.598 1.00 0.00 C ATOM 1405 C VAL A 92 -0.704 -7.257 14.695 1.00 0.00 C ATOM 1406 O VAL A 92 -0.332 -8.339 15.153 1.00 0.00 O ATOM 1407 CB VAL A 92 -2.859 -6.342 15.558 1.00 0.00 C ATOM 1408 CG1 VAL A 92 -3.292 -7.628 16.245 1.00 0.00 C ATOM 1409 CG2 VAL A 92 -3.523 -5.134 16.201 1.00 0.00 C ATOM 0 H VAL A 92 -1.461 -4.449 14.450 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.981 -6.348 16.621 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.176 -6.391 14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.378 -7.713 16.207 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.843 -8.481 15.736 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.965 -7.613 17.285 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.606 -5.252 16.164 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.202 -5.052 17.239 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.238 -4.231 15.661 1.00 0.00 H new ATOM 1419 N LEU A 93 -0.592 -6.940 13.410 1.00 0.00 N ATOM 1420 CA LEU A 93 -0.014 -7.865 12.441 1.00 0.00 C ATOM 1421 C LEU A 93 1.166 -7.226 11.715 1.00 0.00 C ATOM 1422 O LEU A 93 1.120 -6.066 11.305 1.00 0.00 O ATOM 1423 CB LEU A 93 -1.074 -8.302 11.428 1.00 0.00 C ATOM 1424 CG LEU A 93 -0.761 -9.571 10.635 1.00 0.00 C ATOM 1425 CD1 LEU A 93 -0.831 -10.795 11.535 1.00 0.00 C ATOM 1426 CD2 LEU A 93 -1.717 -9.715 9.460 1.00 0.00 C ATOM 0 H LEU A 93 -0.894 -6.049 13.015 1.00 0.00 H new ATOM 0 HA LEU A 93 0.346 -8.740 12.982 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.015 -8.451 11.958 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.232 -7.486 10.722 1.00 0.00 H new ATOM 0 HG LEU A 93 0.254 -9.491 10.245 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.605 -11.688 10.953 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.105 -10.695 12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.833 -10.880 11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.479 -10.624 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.741 -9.772 9.829 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.616 -8.852 8.801 1.00 0.00 H new ATOM 1438 N PRO A 94 2.249 -8.000 11.550 1.00 0.00 N ATOM 1439 CA PRO A 94 3.460 -7.531 10.871 1.00 0.00 C ATOM 1440 C PRO A 94 3.248 -7.339 9.373 1.00 0.00 C ATOM 1441 O PRO A 94 2.563 -8.132 8.727 1.00 0.00 O ATOM 1442 CB PRO A 94 4.468 -8.654 11.129 1.00 0.00 C ATOM 1443 CG PRO A 94 3.634 -9.869 11.346 1.00 0.00 C ATOM 1444 CD PRO A 94 2.374 -9.392 12.013 1.00 0.00 C ATOM 0 HA PRO A 94 3.782 -6.557 11.239 1.00 0.00 H new ATOM 0 HB2 PRO A 94 5.142 -8.783 10.282 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.087 -8.438 12.000 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.412 -10.364 10.401 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.156 -10.594 11.970 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.512 -9.992 11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.448 -9.449 13.099 1.00 0.00 H new ATOM 1452 N ALA A 95 3.840 -6.283 8.827 1.00 0.00 N ATOM 1453 CA ALA A 95 3.718 -5.989 7.404 1.00 0.00 C ATOM 1454 C ALA A 95 4.247 -7.142 6.558 1.00 0.00 C ATOM 1455 O ALA A 95 5.438 -7.450 6.590 1.00 0.00 O ATOM 1456 CB ALA A 95 4.454 -4.701 7.066 1.00 0.00 C ATOM 0 H ALA A 95 4.409 -5.616 9.348 1.00 0.00 H new ATOM 0 HA ALA A 95 2.660 -5.860 7.174 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.354 -4.494 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.026 -3.877 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.509 -4.808 7.318 1.00 0.00 H new ATOM 1462 N GLN A 96 3.355 -7.774 5.803 1.00 0.00 N ATOM 1463 CA GLN A 96 3.734 -8.894 4.949 1.00 0.00 C ATOM 1464 C GLN A 96 4.473 -8.406 3.708 1.00 0.00 C ATOM 1465 O GLN A 96 5.047 -9.200 2.963 1.00 0.00 O ATOM 1466 CB GLN A 96 2.495 -9.692 4.540 1.00 0.00 C ATOM 1467 CG GLN A 96 1.666 -10.176 5.718 1.00 0.00 C ATOM 1468 CD GLN A 96 2.421 -11.148 6.604 1.00 0.00 C ATOM 1469 OE1 GLN A 96 2.882 -12.194 6.146 1.00 0.00 O ATOM 1470 NE2 GLN A 96 2.553 -10.806 7.880 1.00 0.00 N ATOM 0 H GLN A 96 2.365 -7.530 5.765 1.00 0.00 H new ATOM 0 HA GLN A 96 4.403 -9.541 5.516 1.00 0.00 H new ATOM 0 HB2 GLN A 96 1.870 -9.072 3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.807 -10.553 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.351 -9.318 6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.761 -10.657 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.155 -9.929 8.217 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.053 -11.420 8.523 1.00 0.00 H new ATOM 1479 N ALA A 97 4.452 -7.095 3.490 1.00 0.00 N ATOM 1480 CA ALA A 97 5.122 -6.502 2.339 1.00 0.00 C ATOM 1481 C ALA A 97 6.619 -6.788 2.367 1.00 0.00 C ATOM 1482 O ALA A 97 7.224 -6.885 3.435 1.00 0.00 O ATOM 1483 CB ALA A 97 4.870 -5.002 2.298 1.00 0.00 C ATOM 0 H ALA A 97 3.979 -6.424 4.095 1.00 0.00 H new ATOM 0 HA ALA A 97 4.710 -6.954 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.376 -4.572 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.799 -4.815 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.255 -4.543 3.209 1.00 0.00 H new