USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 556 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 9 LYS NZ :NH3+ -106:sc= -0.152 (180deg=-2.46!) USER MOD Set 1.2: A 93 TYR OH : rot 30:sc= -0.0431 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.102) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.36 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -6.68! C(o=-6.7!,f=-10!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 59 SER OG : rot 180:sc= -0.247 USER MOD Single : A 62 THR OG1 : rot 123:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -153:sc= -1.66 (180deg=-3.82!) USER MOD Single : A 68 ASN : amide:sc= -2.83 K(o=-2.8,f=-11!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -110:sc= -0.248 (180deg=-1.5!) USER MOD Single : A 80 GLN : amide:sc= -4.49 K(o=-4.5,f=-7.4!) USER MOD Single : A 82 THR OG1 : rot 139:sc= 0.0012 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 149:sc= -0.401 (180deg=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 2.286 6.549 -12.627 1.00 0.00 N ATOM 134 CA LYS A 9 2.624 6.604 -11.209 1.00 0.00 C ATOM 135 C LYS A 9 2.206 7.938 -10.597 1.00 0.00 C ATOM 136 O LYS A 9 2.541 9.003 -11.116 1.00 0.00 O ATOM 137 CB LYS A 9 4.127 6.394 -11.016 1.00 0.00 C ATOM 138 CG LYS A 9 4.629 5.061 -11.547 1.00 0.00 C ATOM 139 CD LYS A 9 4.026 3.894 -10.782 1.00 0.00 C ATOM 140 CE LYS A 9 4.520 3.851 -9.343 1.00 0.00 C ATOM 141 NZ LYS A 9 5.500 2.752 -9.122 1.00 0.00 N ATOM 0 HA LYS A 9 2.080 5.807 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.665 7.200 -11.515 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.362 6.464 -9.954 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.380 4.972 -12.604 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.716 5.024 -11.472 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.939 3.975 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.281 2.960 -11.283 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.982 4.805 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.671 3.720 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.046 1.985 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.826 2.388 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.313 3.115 -8.585 1.00 0.00 H new ATOM 155 N GLU A 10 1.475 7.871 -9.489 1.00 0.00 N ATOM 156 CA GLU A 10 1.012 9.072 -8.802 1.00 0.00 C ATOM 157 C GLU A 10 1.474 9.072 -7.344 1.00 0.00 C ATOM 158 O GLU A 10 1.073 8.213 -6.561 1.00 0.00 O ATOM 159 CB GLU A 10 -0.514 9.166 -8.866 1.00 0.00 C ATOM 160 CG GLU A 10 -1.085 8.881 -10.244 1.00 0.00 C ATOM 161 CD GLU A 10 -0.853 10.019 -11.220 1.00 0.00 C ATOM 162 OE1 GLU A 10 -1.224 11.166 -10.893 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.302 9.762 -12.311 1.00 0.00 O ATOM 0 H GLU A 10 1.190 6.997 -9.047 1.00 0.00 H new ATOM 0 HA GLU A 10 1.442 9.939 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.943 8.463 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.821 10.164 -8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.633 7.971 -10.639 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.155 8.694 -10.158 1.00 0.00 H new ATOM 170 N PRO A 11 2.328 10.036 -6.957 1.00 0.00 N ATOM 171 CA PRO A 11 2.839 10.135 -5.595 1.00 0.00 C ATOM 172 C PRO A 11 1.928 10.957 -4.690 1.00 0.00 C ATOM 173 O PRO A 11 1.093 11.725 -5.169 1.00 0.00 O ATOM 174 CB PRO A 11 4.174 10.840 -5.794 1.00 0.00 C ATOM 175 CG PRO A 11 3.961 11.730 -6.977 1.00 0.00 C ATOM 176 CD PRO A 11 2.869 11.104 -7.814 1.00 0.00 C ATOM 0 HA PRO A 11 2.913 9.164 -5.105 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.454 11.415 -4.911 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.976 10.125 -5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.675 12.732 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.880 11.829 -7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.101 11.832 -8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.263 10.704 -8.749 1.00 0.00 H new ATOM 184 N ALA A 12 2.088 10.788 -3.382 1.00 0.00 N ATOM 185 CA ALA A 12 1.272 11.515 -2.418 1.00 0.00 C ATOM 186 C ALA A 12 1.853 11.420 -1.012 1.00 0.00 C ATOM 187 O ALA A 12 2.801 10.675 -0.771 1.00 0.00 O ATOM 188 CB ALA A 12 -0.149 10.986 -2.438 1.00 0.00 C ATOM 0 H ALA A 12 2.773 10.156 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 12 1.267 12.567 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.752 11.535 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.571 11.115 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.147 9.927 -2.179 1.00 0.00 H new ATOM 194 N THR A 13 1.277 12.180 -0.084 1.00 0.00 N ATOM 195 CA THR A 13 1.742 12.177 1.298 1.00 0.00 C ATOM 196 C THR A 13 0.809 11.364 2.195 1.00 0.00 C ATOM 197 O THR A 13 -0.313 11.779 2.487 1.00 0.00 O ATOM 198 CB THR A 13 1.854 13.610 1.825 1.00 0.00 C ATOM 199 OG1 THR A 13 2.382 13.621 3.138 1.00 0.00 O ATOM 200 CG2 THR A 13 0.531 14.344 1.855 1.00 0.00 C ATOM 0 H THR A 13 0.490 12.803 -0.264 1.00 0.00 H new ATOM 0 HA THR A 13 2.727 11.710 1.317 1.00 0.00 H new ATOM 0 HB THR A 13 2.517 14.122 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.447 14.545 3.457 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.683 15.353 2.239 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.122 14.397 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.166 13.811 2.502 1.00 0.00 H new ATOM 208 N LEU A 14 1.290 10.204 2.629 1.00 0.00 N ATOM 209 CA LEU A 14 0.524 9.322 3.496 1.00 0.00 C ATOM 210 C LEU A 14 0.506 9.850 4.923 1.00 0.00 C ATOM 211 O LEU A 14 1.553 10.110 5.514 1.00 0.00 O ATOM 212 CB LEU A 14 1.113 7.913 3.455 1.00 0.00 C ATOM 213 CG LEU A 14 0.596 6.951 4.529 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.413 5.555 3.955 1.00 0.00 C ATOM 215 CD2 LEU A 14 1.545 6.921 5.716 1.00 0.00 C ATOM 0 H LEU A 14 2.217 9.852 2.390 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.504 9.287 3.136 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.908 7.481 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.196 7.988 3.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.375 7.308 4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.045 4.887 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.306 5.589 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.369 5.187 3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.163 6.233 6.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.529 6.588 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.624 7.920 6.144 1.00 0.00 H new ATOM 227 N ILE A 15 -0.693 10.010 5.467 1.00 0.00 N ATOM 228 CA ILE A 15 -0.847 10.512 6.821 1.00 0.00 C ATOM 229 C ILE A 15 -0.492 9.449 7.851 1.00 0.00 C ATOM 230 O ILE A 15 0.219 9.727 8.817 1.00 0.00 O ATOM 231 CB ILE A 15 -2.284 11.010 7.084 1.00 0.00 C ATOM 232 CG1 ILE A 15 -3.296 9.874 6.907 1.00 0.00 C ATOM 233 CG2 ILE A 15 -2.619 12.168 6.157 1.00 0.00 C ATOM 234 CD1 ILE A 15 -3.519 9.055 8.162 1.00 0.00 C ATOM 0 H ILE A 15 -1.570 9.799 4.991 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.159 11.351 6.920 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.342 11.359 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.248 10.295 6.585 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.953 9.215 6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.635 12.509 6.354 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.921 12.987 6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.541 11.839 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.248 8.270 7.960 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.577 8.604 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.893 9.701 8.956 1.00 0.00 H new ATOM 246 N LYS A 16 -0.995 8.232 7.656 1.00 0.00 N ATOM 247 CA LYS A 16 -0.721 7.150 8.598 1.00 0.00 C ATOM 248 C LYS A 16 -1.420 5.861 8.182 1.00 0.00 C ATOM 249 O LYS A 16 -2.223 5.848 7.249 1.00 0.00 O ATOM 250 CB LYS A 16 -1.177 7.551 10.006 1.00 0.00 C ATOM 251 CG LYS A 16 -0.058 7.567 11.033 1.00 0.00 C ATOM 252 CD LYS A 16 -0.545 8.095 12.373 1.00 0.00 C ATOM 253 CE LYS A 16 -0.422 9.608 12.452 1.00 0.00 C ATOM 254 NZ LYS A 16 -0.611 10.109 13.842 1.00 0.00 N ATOM 0 H LYS A 16 -1.586 7.973 6.866 1.00 0.00 H new ATOM 0 HA LYS A 16 0.354 6.971 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.631 8.541 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.951 6.859 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.337 6.559 11.159 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.762 8.188 10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.585 7.805 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.033 7.639 13.177 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.559 9.912 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.162 10.067 11.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.520 11.145 13.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.557 9.841 14.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.111 9.691 14.463 1.00 0.00 H new ATOM 268 N ALA A 17 -1.121 4.781 8.897 1.00 0.00 N ATOM 269 CA ALA A 17 -1.734 3.489 8.623 1.00 0.00 C ATOM 270 C ALA A 17 -2.890 3.235 9.584 1.00 0.00 C ATOM 271 O ALA A 17 -2.868 3.691 10.728 1.00 0.00 O ATOM 272 CB ALA A 17 -0.702 2.377 8.722 1.00 0.00 C ATOM 0 H ALA A 17 -0.457 4.777 9.671 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.127 3.501 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.178 1.419 8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.092 2.552 7.997 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.279 2.362 9.726 1.00 0.00 H new ATOM 278 N ILE A 18 -3.903 2.518 9.113 1.00 0.00 N ATOM 279 CA ILE A 18 -5.070 2.219 9.934 1.00 0.00 C ATOM 280 C ILE A 18 -5.032 0.785 10.460 1.00 0.00 C ATOM 281 O ILE A 18 -4.810 0.559 11.650 1.00 0.00 O ATOM 282 CB ILE A 18 -6.377 2.453 9.142 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.563 3.947 8.864 1.00 0.00 C ATOM 284 CG2 ILE A 18 -7.581 1.898 9.894 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.698 4.251 7.910 1.00 0.00 C ATOM 0 H ILE A 18 -3.940 2.134 8.169 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.047 2.898 10.787 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.301 1.923 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.744 4.463 9.807 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.637 4.349 8.453 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.486 2.077 9.314 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.453 0.826 10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.666 2.394 10.861 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.769 5.328 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.509 3.764 6.953 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.634 3.880 8.328 1.00 0.00 H new ATOM 297 N ASP A 19 -5.257 -0.182 9.575 1.00 0.00 N ATOM 298 CA ASP A 19 -5.257 -1.589 9.966 1.00 0.00 C ATOM 299 C ASP A 19 -4.157 -2.368 9.253 1.00 0.00 C ATOM 300 O ASP A 19 -4.374 -3.493 8.801 1.00 0.00 O ATOM 301 CB ASP A 19 -6.618 -2.221 9.668 1.00 0.00 C ATOM 302 CG ASP A 19 -6.853 -3.488 10.467 1.00 0.00 C ATOM 303 OD1 ASP A 19 -5.909 -4.296 10.591 1.00 0.00 O ATOM 304 OD2 ASP A 19 -7.982 -3.672 10.969 1.00 0.00 O ATOM 0 H ASP A 19 -5.441 -0.018 8.585 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.063 -1.635 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.406 -1.502 9.891 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.685 -2.448 8.604 1.00 0.00 H new ATOM 309 N GLY A 20 -2.974 -1.770 9.153 1.00 0.00 N ATOM 310 CA GLY A 20 -1.863 -2.431 8.494 1.00 0.00 C ATOM 311 C GLY A 20 -1.911 -2.284 6.986 1.00 0.00 C ATOM 312 O GLY A 20 -0.952 -1.818 6.370 1.00 0.00 O ATOM 0 H GLY A 20 -2.765 -0.840 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.926 -2.017 8.866 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.869 -3.490 8.753 1.00 0.00 H new ATOM 316 N ASP A 21 -3.033 -2.678 6.391 1.00 0.00 N ATOM 317 CA ASP A 21 -3.206 -2.581 4.948 1.00 0.00 C ATOM 318 C ASP A 21 -3.957 -1.304 4.593 1.00 0.00 C ATOM 319 O ASP A 21 -3.681 -0.668 3.577 1.00 0.00 O ATOM 320 CB ASP A 21 -3.961 -3.803 4.419 1.00 0.00 C ATOM 321 CG ASP A 21 -3.252 -4.459 3.251 1.00 0.00 C ATOM 322 OD1 ASP A 21 -2.023 -4.665 3.342 1.00 0.00 O ATOM 323 OD2 ASP A 21 -3.925 -4.768 2.245 1.00 0.00 O ATOM 0 H ASP A 21 -3.835 -3.067 6.887 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.222 -2.551 4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.080 -4.529 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.962 -3.503 4.110 1.00 0.00 H new ATOM 328 N THR A 22 -4.903 -0.929 5.449 1.00 0.00 N ATOM 329 CA THR A 22 -5.687 0.278 5.237 1.00 0.00 C ATOM 330 C THR A 22 -4.863 1.510 5.597 1.00 0.00 C ATOM 331 O THR A 22 -4.624 1.784 6.771 1.00 0.00 O ATOM 332 CB THR A 22 -6.966 0.236 6.078 1.00 0.00 C ATOM 333 OG1 THR A 22 -7.831 -0.789 5.624 1.00 0.00 O ATOM 334 CG2 THR A 22 -7.744 1.536 6.060 1.00 0.00 C ATOM 0 H THR A 22 -5.143 -1.445 6.295 1.00 0.00 H new ATOM 0 HA THR A 22 -5.963 0.334 4.184 1.00 0.00 H new ATOM 0 HB THR A 22 -6.631 0.049 7.098 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.641 -0.801 6.175 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.637 1.434 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.121 2.339 6.454 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.035 1.772 5.036 1.00 0.00 H new ATOM 342 N VAL A 23 -4.431 2.249 4.584 1.00 0.00 N ATOM 343 CA VAL A 23 -3.634 3.448 4.806 1.00 0.00 C ATOM 344 C VAL A 23 -4.251 4.655 4.113 1.00 0.00 C ATOM 345 O VAL A 23 -5.079 4.512 3.215 1.00 0.00 O ATOM 346 CB VAL A 23 -2.186 3.266 4.310 1.00 0.00 C ATOM 347 CG1 VAL A 23 -1.538 2.068 4.988 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.150 3.113 2.796 1.00 0.00 C ATOM 0 H VAL A 23 -4.618 2.040 3.603 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.619 3.620 5.882 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.618 4.158 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.516 1.954 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.526 2.223 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.107 1.167 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.118 2.986 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.734 2.240 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.572 4.004 2.330 1.00 0.00 H new ATOM 358 N LYS A 24 -3.844 5.842 4.540 1.00 0.00 N ATOM 359 CA LYS A 24 -4.360 7.075 3.962 1.00 0.00 C ATOM 360 C LYS A 24 -3.240 7.906 3.336 1.00 0.00 C ATOM 361 O LYS A 24 -2.192 8.113 3.946 1.00 0.00 O ATOM 362 CB LYS A 24 -5.076 7.899 5.035 1.00 0.00 C ATOM 363 CG LYS A 24 -5.359 9.333 4.615 1.00 0.00 C ATOM 364 CD LYS A 24 -6.425 9.392 3.530 1.00 0.00 C ATOM 365 CE LYS A 24 -7.675 10.111 4.014 1.00 0.00 C ATOM 366 NZ LYS A 24 -8.614 9.188 4.712 1.00 0.00 N ATOM 0 H LYS A 24 -3.159 5.977 5.284 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.067 6.807 3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.017 7.411 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.468 7.908 5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.686 9.910 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.441 9.795 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.026 9.904 2.654 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.684 8.380 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.391 10.918 4.689 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.181 10.570 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.375 9.739 5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.024 8.524 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.099 8.656 5.442 1.00 0.00 H new ATOM 380 N LEU A 25 -3.488 8.402 2.128 1.00 0.00 N ATOM 381 CA LEU A 25 -2.517 9.238 1.428 1.00 0.00 C ATOM 382 C LEU A 25 -3.196 10.369 0.667 1.00 0.00 C ATOM 383 O LEU A 25 -4.167 10.151 -0.056 1.00 0.00 O ATOM 384 CB LEU A 25 -1.617 8.398 0.499 1.00 0.00 C ATOM 385 CG LEU A 25 -2.221 7.937 -0.831 1.00 0.00 C ATOM 386 CD1 LEU A 25 -2.395 9.093 -1.804 1.00 0.00 C ATOM 387 CD2 LEU A 25 -1.346 6.856 -1.451 1.00 0.00 C ATOM 0 H LEU A 25 -4.353 8.240 1.613 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.877 9.693 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.721 8.980 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.296 7.513 1.049 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.211 7.530 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.826 8.724 -2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.059 9.839 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.425 9.546 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.782 6.533 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.347 7.254 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.282 6.006 -0.772 1.00 0.00 H new ATOM 399 N MET A 26 -2.661 11.579 0.832 1.00 0.00 N ATOM 400 CA MET A 26 -3.197 12.763 0.157 1.00 0.00 C ATOM 401 C MET A 26 -2.845 12.718 -1.326 1.00 0.00 C ATOM 402 O MET A 26 -1.729 13.047 -1.722 1.00 0.00 O ATOM 403 CB MET A 26 -2.628 14.035 0.793 1.00 0.00 C ATOM 404 CG MET A 26 -3.671 14.866 1.524 1.00 0.00 C ATOM 405 SD MET A 26 -3.702 14.538 3.297 1.00 0.00 S ATOM 406 CE MET A 26 -2.942 16.031 3.932 1.00 0.00 C ATOM 0 H MET A 26 -1.855 11.766 1.429 1.00 0.00 H new ATOM 0 HA MET A 26 -4.282 12.771 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 26 -1.838 13.760 1.492 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.168 14.646 0.016 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.469 15.924 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.655 14.659 1.103 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.890 15.979 5.019 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.936 16.129 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.538 16.896 3.639 1.00 0.00 H new ATOM 416 N TYR A 27 -3.806 12.294 -2.138 1.00 0.00 N ATOM 417 CA TYR A 27 -3.606 12.179 -3.576 1.00 0.00 C ATOM 418 C TYR A 27 -3.948 13.476 -4.300 1.00 0.00 C ATOM 419 O TYR A 27 -5.106 13.874 -4.365 1.00 0.00 O ATOM 420 CB TYR A 27 -4.451 11.024 -4.112 1.00 0.00 C ATOM 421 CG TYR A 27 -4.307 10.794 -5.598 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.789 11.722 -6.504 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.699 9.649 -6.092 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.675 11.524 -7.862 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.574 9.439 -7.453 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.065 10.381 -8.335 1.00 0.00 C ATOM 427 OH TYR A 27 -3.947 10.178 -9.691 1.00 0.00 O ATOM 0 H TYR A 27 -4.737 12.023 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.551 11.978 -3.762 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.175 10.111 -3.585 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.499 11.219 -3.885 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.264 12.620 -6.139 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.317 8.910 -5.403 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.061 12.259 -8.552 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.096 8.544 -7.824 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.881 11.043 -10.147 1.00 0.00 H new ATOM 437 N LYS A 28 -2.922 14.122 -4.858 1.00 0.00 N ATOM 438 CA LYS A 28 -3.096 15.372 -5.599 1.00 0.00 C ATOM 439 C LYS A 28 -4.016 16.342 -4.862 1.00 0.00 C ATOM 440 O LYS A 28 -4.800 17.063 -5.480 1.00 0.00 O ATOM 441 CB LYS A 28 -3.651 15.081 -6.996 1.00 0.00 C ATOM 442 CG LYS A 28 -2.583 15.035 -8.077 1.00 0.00 C ATOM 443 CD LYS A 28 -3.094 15.602 -9.391 1.00 0.00 C ATOM 444 CE LYS A 28 -3.506 17.060 -9.250 1.00 0.00 C ATOM 445 NZ LYS A 28 -2.634 17.964 -10.050 1.00 0.00 N ATOM 0 H LYS A 28 -1.956 13.797 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.118 15.845 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.178 14.127 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.384 15.846 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.710 15.600 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.259 14.005 -8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.318 15.515 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.945 15.014 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.541 17.177 -9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.463 17.349 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.948 18.948 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.650 17.872 -9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.695 17.705 -11.055 1.00 0.00 H new ATOM 459 N GLY A 29 -3.915 16.358 -3.539 1.00 0.00 N ATOM 460 CA GLY A 29 -4.745 17.245 -2.744 1.00 0.00 C ATOM 461 C GLY A 29 -6.002 16.563 -2.237 1.00 0.00 C ATOM 462 O GLY A 29 -6.669 17.070 -1.335 1.00 0.00 O ATOM 0 H GLY A 29 -3.274 15.774 -3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.168 17.614 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.022 18.112 -3.343 1.00 0.00 H new ATOM 466 N GLN A 30 -6.320 15.404 -2.807 1.00 0.00 N ATOM 467 CA GLN A 30 -7.496 14.649 -2.396 1.00 0.00 C ATOM 468 C GLN A 30 -7.081 13.304 -1.801 1.00 0.00 C ATOM 469 O GLN A 30 -6.826 12.348 -2.532 1.00 0.00 O ATOM 470 CB GLN A 30 -8.439 14.410 -3.586 1.00 0.00 C ATOM 471 CG GLN A 30 -8.165 15.289 -4.798 1.00 0.00 C ATOM 472 CD GLN A 30 -7.209 14.642 -5.777 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.293 15.286 -6.286 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.419 13.360 -6.052 1.00 0.00 N ATOM 0 H GLN A 30 -5.779 14.969 -3.554 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.022 15.234 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.365 13.365 -3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.465 14.575 -3.258 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -9.105 15.509 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.751 16.241 -4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.191 12.863 -5.607 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.809 12.872 -6.708 1.00 0.00 H new ATOM 483 N PRO A 31 -6.999 13.212 -0.464 1.00 0.00 N ATOM 484 CA PRO A 31 -6.605 11.979 0.217 1.00 0.00 C ATOM 485 C PRO A 31 -7.656 10.880 0.114 1.00 0.00 C ATOM 486 O PRO A 31 -8.854 11.147 0.025 1.00 0.00 O ATOM 487 CB PRO A 31 -6.427 12.414 1.674 1.00 0.00 C ATOM 488 CG PRO A 31 -7.295 13.612 1.819 1.00 0.00 C ATOM 489 CD PRO A 31 -7.263 14.306 0.487 1.00 0.00 C ATOM 0 HA PRO A 31 -5.709 11.547 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.725 11.623 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.386 12.651 1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.312 13.327 2.087 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.929 14.267 2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.208 14.806 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.484 15.067 0.450 1.00 0.00 H new ATOM 497 N MET A 32 -7.182 9.640 0.127 1.00 0.00 N ATOM 498 CA MET A 32 -8.047 8.472 0.035 1.00 0.00 C ATOM 499 C MET A 32 -7.479 7.333 0.876 1.00 0.00 C ATOM 500 O MET A 32 -6.295 7.331 1.210 1.00 0.00 O ATOM 501 CB MET A 32 -8.170 8.029 -1.425 1.00 0.00 C ATOM 502 CG MET A 32 -8.514 9.161 -2.379 1.00 0.00 C ATOM 503 SD MET A 32 -10.201 9.760 -2.170 1.00 0.00 S ATOM 504 CE MET A 32 -10.752 9.825 -3.874 1.00 0.00 C ATOM 0 H MET A 32 -6.189 9.417 0.201 1.00 0.00 H new ATOM 0 HA MET A 32 -9.035 8.733 0.414 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.230 7.575 -1.738 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.937 7.258 -1.498 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.818 9.986 -2.223 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.379 8.819 -3.405 1.00 0.00 H new ATOM 0 HE1 MET A 32 -11.782 10.179 -3.910 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.114 10.507 -4.437 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.695 8.829 -4.313 1.00 0.00 H new ATOM 514 N THR A 33 -8.315 6.359 1.207 1.00 0.00 N ATOM 515 CA THR A 33 -7.863 5.218 1.991 1.00 0.00 C ATOM 516 C THR A 33 -7.535 4.057 1.062 1.00 0.00 C ATOM 517 O THR A 33 -8.370 3.640 0.259 1.00 0.00 O ATOM 518 CB THR A 33 -8.922 4.799 3.008 1.00 0.00 C ATOM 519 OG1 THR A 33 -10.207 5.248 2.613 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.653 5.330 4.397 1.00 0.00 C ATOM 0 H THR A 33 -9.301 6.335 0.948 1.00 0.00 H new ATOM 0 HA THR A 33 -6.966 5.506 2.540 1.00 0.00 H new ATOM 0 HB THR A 33 -8.882 3.710 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.870 4.967 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.441 4.997 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.691 4.957 4.749 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.632 6.420 4.372 1.00 0.00 H new ATOM 528 N PHE A 34 -6.312 3.553 1.156 1.00 0.00 N ATOM 529 CA PHE A 34 -5.880 2.460 0.298 1.00 0.00 C ATOM 530 C PHE A 34 -5.675 1.173 1.086 1.00 0.00 C ATOM 531 O PHE A 34 -5.335 1.203 2.268 1.00 0.00 O ATOM 532 CB PHE A 34 -4.597 2.847 -0.439 1.00 0.00 C ATOM 533 CG PHE A 34 -4.698 4.170 -1.141 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.864 5.340 -0.420 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.634 4.242 -2.523 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.964 6.555 -1.061 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.731 5.460 -3.170 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.896 6.617 -2.434 1.00 0.00 C ATOM 0 H PHE A 34 -5.605 3.882 1.814 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.669 2.275 -0.431 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.772 2.882 0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.356 2.073 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.916 5.300 0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.507 3.338 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.096 7.459 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.678 5.507 -4.248 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.972 7.570 -2.936 1.00 0.00 H new ATOM 548 N ARG A 35 -5.902 0.040 0.423 1.00 0.00 N ATOM 549 CA ARG A 35 -5.759 -1.260 1.068 1.00 0.00 C ATOM 550 C ARG A 35 -5.090 -2.286 0.155 1.00 0.00 C ATOM 551 O ARG A 35 -5.681 -2.741 -0.822 1.00 0.00 O ATOM 552 CB ARG A 35 -7.134 -1.765 1.511 1.00 0.00 C ATOM 553 CG ARG A 35 -7.160 -3.221 1.960 1.00 0.00 C ATOM 554 CD ARG A 35 -8.574 -3.782 1.949 1.00 0.00 C ATOM 555 NE ARG A 35 -8.782 -4.718 0.845 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.541 -6.026 0.921 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.079 -6.562 2.045 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.761 -6.801 -0.132 1.00 0.00 N ATOM 0 H ARG A 35 -6.184 -0.002 -0.556 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.113 -1.133 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.490 -1.140 2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.836 -1.640 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.526 -3.817 1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.743 -3.301 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.771 -4.287 2.895 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.289 -2.963 1.870 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.133 -4.347 -0.038 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.906 -5.971 2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.897 -7.564 2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.114 -6.396 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.577 -7.803 -0.075 1.00 0.00 H new ATOM 572 N LEU A 36 -3.856 -2.653 0.512 1.00 0.00 N ATOM 573 CA LEU A 36 -3.068 -3.640 -0.230 1.00 0.00 C ATOM 574 C LEU A 36 -1.591 -3.552 0.172 1.00 0.00 C ATOM 575 O LEU A 36 -1.282 -3.186 1.305 1.00 0.00 O ATOM 576 CB LEU A 36 -3.246 -3.492 -1.750 1.00 0.00 C ATOM 577 CG LEU A 36 -2.708 -2.211 -2.397 1.00 0.00 C ATOM 578 CD1 LEU A 36 -2.362 -1.138 -1.368 1.00 0.00 C ATOM 579 CD2 LEU A 36 -1.500 -2.529 -3.268 1.00 0.00 C ATOM 0 H LEU A 36 -3.374 -2.272 1.327 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.439 -4.631 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.762 -4.342 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.310 -3.562 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.504 -1.804 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.986 -0.252 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.255 -0.877 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.598 -1.518 -0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.127 -1.611 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.717 -2.975 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.790 -3.229 -4.051 1.00 0.00 H new ATOM 900 N PRO A 56 3.541 -3.600 14.329 1.00 0.00 N ATOM 901 CA PRO A 56 4.342 -2.446 13.885 1.00 0.00 C ATOM 902 C PRO A 56 4.703 -2.410 12.400 1.00 0.00 C ATOM 903 O PRO A 56 4.474 -1.404 11.730 1.00 0.00 O ATOM 904 CB PRO A 56 5.611 -2.617 14.702 1.00 0.00 C ATOM 905 CG PRO A 56 5.138 -3.163 16.002 1.00 0.00 C ATOM 906 CD PRO A 56 3.949 -4.033 15.684 1.00 0.00 C ATOM 0 HA PRO A 56 3.782 -1.521 14.025 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.309 -3.297 14.215 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.130 -1.668 14.834 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.923 -3.740 16.491 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.861 -2.359 16.684 1.00 0.00 H new ATOM 0 HD2 PRO A 56 4.212 -5.091 15.703 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.146 -3.891 16.407 1.00 0.00 H new ATOM 914 N GLU A 57 5.300 -3.482 11.894 1.00 0.00 N ATOM 915 CA GLU A 57 5.724 -3.523 10.490 1.00 0.00 C ATOM 916 C GLU A 57 4.617 -3.074 9.531 1.00 0.00 C ATOM 917 O GLU A 57 4.887 -2.765 8.371 1.00 0.00 O ATOM 918 CB GLU A 57 6.218 -4.921 10.096 1.00 0.00 C ATOM 919 CG GLU A 57 6.931 -5.672 11.213 1.00 0.00 C ATOM 920 CD GLU A 57 7.985 -4.829 11.907 1.00 0.00 C ATOM 921 OE1 GLU A 57 8.408 -3.809 11.324 1.00 0.00 O ATOM 922 OE2 GLU A 57 8.386 -5.192 13.033 1.00 0.00 O ATOM 0 H GLU A 57 5.502 -4.329 12.424 1.00 0.00 H new ATOM 0 HA GLU A 57 6.549 -2.817 10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.366 -5.514 9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.895 -4.828 9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.197 -6.005 11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.400 -6.566 10.802 1.00 0.00 H new ATOM 929 N ALA A 58 3.374 -3.040 10.008 1.00 0.00 N ATOM 930 CA ALA A 58 2.253 -2.633 9.176 1.00 0.00 C ATOM 931 C ALA A 58 2.012 -1.133 9.273 1.00 0.00 C ATOM 932 O ALA A 58 2.117 -0.416 8.281 1.00 0.00 O ATOM 933 CB ALA A 58 1.000 -3.399 9.567 1.00 0.00 C ATOM 0 H ALA A 58 3.122 -3.289 10.964 1.00 0.00 H new ATOM 0 HA ALA A 58 2.499 -2.867 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.169 -3.084 8.936 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.171 -4.467 9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.760 -3.196 10.611 1.00 0.00 H new ATOM 939 N SER A 59 1.685 -0.668 10.473 1.00 0.00 N ATOM 940 CA SER A 59 1.425 0.748 10.697 1.00 0.00 C ATOM 941 C SER A 59 2.701 1.481 11.092 1.00 0.00 C ATOM 942 O SER A 59 3.025 2.529 10.532 1.00 0.00 O ATOM 943 CB SER A 59 0.361 0.929 11.781 1.00 0.00 C ATOM 944 OG SER A 59 0.883 0.632 13.065 1.00 0.00 O ATOM 0 H SER A 59 1.594 -1.251 11.305 1.00 0.00 H new ATOM 0 HA SER A 59 1.058 1.175 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.009 1.954 11.764 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.489 0.280 11.572 1.00 0.00 H new ATOM 0 HG SER A 59 0.183 0.757 13.740 1.00 0.00 H new ATOM 950 N ALA A 60 3.422 0.926 12.059 1.00 0.00 N ATOM 951 CA ALA A 60 4.662 1.530 12.528 1.00 0.00 C ATOM 952 C ALA A 60 5.636 1.757 11.376 1.00 0.00 C ATOM 953 O ALA A 60 6.374 2.742 11.362 1.00 0.00 O ATOM 954 CB ALA A 60 5.303 0.658 13.599 1.00 0.00 C ATOM 0 H ALA A 60 3.169 0.059 12.533 1.00 0.00 H new ATOM 0 HA ALA A 60 4.421 2.501 12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.229 1.122 13.940 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.618 0.553 14.441 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.522 -0.326 13.184 1.00 0.00 H new ATOM 960 N PHE A 61 5.634 0.840 10.412 1.00 0.00 N ATOM 961 CA PHE A 61 6.522 0.948 9.260 1.00 0.00 C ATOM 962 C PHE A 61 5.864 1.718 8.117 1.00 0.00 C ATOM 963 O PHE A 61 6.548 2.214 7.224 1.00 0.00 O ATOM 964 CB PHE A 61 6.933 -0.444 8.778 1.00 0.00 C ATOM 965 CG PHE A 61 8.341 -0.511 8.264 1.00 0.00 C ATOM 966 CD1 PHE A 61 9.409 -0.619 9.141 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.598 -0.466 6.903 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.707 -0.682 8.669 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.894 -0.528 6.426 1.00 0.00 C ATOM 970 CZ PHE A 61 10.949 -0.636 7.310 1.00 0.00 C ATOM 0 H PHE A 61 5.030 0.018 10.406 1.00 0.00 H new ATOM 0 HA PHE A 61 7.408 1.500 9.575 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.821 -1.151 9.600 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.252 -0.762 7.989 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.225 -0.654 10.205 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.776 -0.382 6.207 1.00 0.00 H new ATOM 0 HE1 PHE A 61 11.531 -0.767 9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 61 10.081 -0.492 5.363 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.962 -0.684 6.939 1.00 0.00 H new ATOM 980 N THR A 62 4.537 1.806 8.141 1.00 0.00 N ATOM 981 CA THR A 62 3.804 2.508 7.093 1.00 0.00 C ATOM 982 C THR A 62 3.880 4.025 7.281 1.00 0.00 C ATOM 983 O THR A 62 4.490 4.727 6.472 1.00 0.00 O ATOM 984 CB THR A 62 2.343 2.033 7.080 1.00 0.00 C ATOM 985 OG1 THR A 62 2.188 0.931 6.204 1.00 0.00 O ATOM 986 CG2 THR A 62 1.351 3.096 6.651 1.00 0.00 C ATOM 0 H THR A 62 3.950 1.402 8.871 1.00 0.00 H new ATOM 0 HA THR A 62 4.264 2.276 6.132 1.00 0.00 H new ATOM 0 HB THR A 62 2.126 1.764 8.114 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.821 0.169 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.343 2.681 6.668 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.407 3.943 7.335 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.589 3.429 5.641 1.00 0.00 H new ATOM 994 N LYS A 63 3.261 4.525 8.345 1.00 0.00 N ATOM 995 CA LYS A 63 3.263 5.955 8.628 1.00 0.00 C ATOM 996 C LYS A 63 4.684 6.481 8.824 1.00 0.00 C ATOM 997 O LYS A 63 4.945 7.672 8.650 1.00 0.00 O ATOM 998 CB LYS A 63 2.429 6.242 9.878 1.00 0.00 C ATOM 999 CG LYS A 63 3.041 5.685 11.155 1.00 0.00 C ATOM 1000 CD LYS A 63 2.028 4.897 11.973 1.00 0.00 C ATOM 1001 CE LYS A 63 1.709 5.595 13.286 1.00 0.00 C ATOM 1002 NZ LYS A 63 2.674 5.228 14.359 1.00 0.00 N ATOM 0 H LYS A 63 2.752 3.961 9.025 1.00 0.00 H new ATOM 0 HA LYS A 63 2.826 6.467 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.305 7.320 9.983 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.433 5.818 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.884 5.041 10.903 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.435 6.504 11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.112 4.770 11.395 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.419 3.900 12.175 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.726 6.675 13.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.699 5.332 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.422 5.725 15.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.640 4.201 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.635 5.502 14.070 1.00 0.00 H new ATOM 1016 N LYS A 64 5.599 5.590 9.198 1.00 0.00 N ATOM 1017 CA LYS A 64 6.987 5.971 9.428 1.00 0.00 C ATOM 1018 C LYS A 64 7.768 6.068 8.120 1.00 0.00 C ATOM 1019 O LYS A 64 8.461 7.055 7.874 1.00 0.00 O ATOM 1020 CB LYS A 64 7.662 4.964 10.362 1.00 0.00 C ATOM 1021 CG LYS A 64 9.066 5.371 10.783 1.00 0.00 C ATOM 1022 CD LYS A 64 9.216 5.380 12.297 1.00 0.00 C ATOM 1023 CE LYS A 64 8.469 6.547 12.922 1.00 0.00 C ATOM 1024 NZ LYS A 64 8.696 6.629 14.392 1.00 0.00 N ATOM 0 H LYS A 64 5.403 4.600 9.348 1.00 0.00 H new ATOM 0 HA LYS A 64 6.986 6.957 9.894 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.047 4.838 11.253 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.707 3.994 9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.791 4.682 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.292 6.362 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.839 4.443 12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.272 5.440 12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.790 7.477 12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.402 6.443 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.170 7.438 14.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.366 5.752 14.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.711 6.754 14.580 1.00 0.00 H new ATOM 1038 N MET A 65 7.659 5.037 7.286 1.00 0.00 N ATOM 1039 CA MET A 65 8.366 5.011 6.007 1.00 0.00 C ATOM 1040 C MET A 65 8.142 6.300 5.220 1.00 0.00 C ATOM 1041 O MET A 65 8.994 6.714 4.436 1.00 0.00 O ATOM 1042 CB MET A 65 7.921 3.806 5.174 1.00 0.00 C ATOM 1043 CG MET A 65 6.466 3.867 4.735 1.00 0.00 C ATOM 1044 SD MET A 65 6.247 3.463 2.990 1.00 0.00 S ATOM 1045 CE MET A 65 4.514 3.014 2.960 1.00 0.00 C ATOM 0 H MET A 65 7.090 4.211 7.471 1.00 0.00 H new ATOM 0 HA MET A 65 9.431 4.924 6.220 1.00 0.00 H new ATOM 0 HB2 MET A 65 8.555 3.733 4.290 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.078 2.897 5.755 1.00 0.00 H new ATOM 0 HG2 MET A 65 5.879 3.176 5.340 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.075 4.867 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 65 4.333 2.315 2.144 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.243 2.545 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.909 3.908 2.812 1.00 0.00 H new ATOM 1055 N VAL A 66 6.992 6.929 5.434 1.00 0.00 N ATOM 1056 CA VAL A 66 6.661 8.169 4.742 1.00 0.00 C ATOM 1057 C VAL A 66 7.101 9.387 5.548 1.00 0.00 C ATOM 1058 O VAL A 66 7.366 10.451 4.988 1.00 0.00 O ATOM 1059 CB VAL A 66 5.151 8.270 4.464 1.00 0.00 C ATOM 1060 CG1 VAL A 66 4.706 7.164 3.518 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.364 8.219 5.765 1.00 0.00 C ATOM 0 H VAL A 66 6.274 6.601 6.080 1.00 0.00 H new ATOM 0 HA VAL A 66 7.198 8.153 3.794 1.00 0.00 H new ATOM 0 HB VAL A 66 4.952 9.228 3.984 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.635 7.252 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.245 7.253 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.918 6.194 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.298 8.292 5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.567 7.278 6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.662 9.051 6.403 1.00 0.00 H new ATOM 1071 N GLU A 67 7.170 9.227 6.866 1.00 0.00 N ATOM 1072 CA GLU A 67 7.573 10.316 7.748 1.00 0.00 C ATOM 1073 C GLU A 67 9.085 10.543 7.710 1.00 0.00 C ATOM 1074 O GLU A 67 9.582 11.529 8.255 1.00 0.00 O ATOM 1075 CB GLU A 67 7.122 10.025 9.182 1.00 0.00 C ATOM 1076 CG GLU A 67 6.045 10.972 9.684 1.00 0.00 C ATOM 1077 CD GLU A 67 6.571 12.370 9.944 1.00 0.00 C ATOM 1078 OE1 GLU A 67 7.780 12.505 10.228 1.00 0.00 O ATOM 1079 OE2 GLU A 67 5.776 13.329 9.863 1.00 0.00 O ATOM 0 H GLU A 67 6.952 8.354 7.346 1.00 0.00 H new ATOM 0 HA GLU A 67 7.090 11.227 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.749 9.002 9.236 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.985 10.085 9.845 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.240 11.022 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.615 10.573 10.603 1.00 0.00 H new ATOM 1086 N ASN A 68 9.815 9.630 7.072 1.00 0.00 N ATOM 1087 CA ASN A 68 11.268 9.748 6.983 1.00 0.00 C ATOM 1088 C ASN A 68 11.723 9.969 5.541 1.00 0.00 C ATOM 1089 O ASN A 68 12.764 10.579 5.299 1.00 0.00 O ATOM 1090 CB ASN A 68 11.939 8.498 7.555 1.00 0.00 C ATOM 1091 CG ASN A 68 11.386 7.218 6.959 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.031 7.171 5.781 1.00 0.00 O ATOM 1093 ND2 ASN A 68 11.309 6.173 7.774 1.00 0.00 N ATOM 0 H ASN A 68 9.427 8.806 6.612 1.00 0.00 H new ATOM 0 HA ASN A 68 11.566 10.617 7.570 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.012 8.548 7.369 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.804 8.480 8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.944 5.285 7.431 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.615 6.258 8.743 1.00 0.00 H new ATOM 1100 N ALA A 69 10.943 9.470 4.588 1.00 0.00 N ATOM 1101 CA ALA A 69 11.277 9.617 3.177 1.00 0.00 C ATOM 1102 C ALA A 69 10.413 10.684 2.515 1.00 0.00 C ATOM 1103 O ALA A 69 9.193 10.698 2.678 1.00 0.00 O ATOM 1104 CB ALA A 69 11.121 8.285 2.456 1.00 0.00 C ATOM 0 H ALA A 69 10.077 8.961 4.767 1.00 0.00 H new ATOM 0 HA ALA A 69 12.317 9.936 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.374 8.409 1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.787 7.548 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.090 7.942 2.544 1.00 0.00 H new ATOM 1110 N LYS A 70 11.053 11.577 1.765 1.00 0.00 N ATOM 1111 CA LYS A 70 10.340 12.646 1.075 1.00 0.00 C ATOM 1112 C LYS A 70 9.828 12.181 -0.288 1.00 0.00 C ATOM 1113 O LYS A 70 9.267 12.970 -1.049 1.00 0.00 O ATOM 1114 CB LYS A 70 11.249 13.864 0.902 1.00 0.00 C ATOM 1115 CG LYS A 70 10.493 15.184 0.864 1.00 0.00 C ATOM 1116 CD LYS A 70 11.162 16.184 -0.066 1.00 0.00 C ATOM 1117 CE LYS A 70 11.939 17.236 0.709 1.00 0.00 C ATOM 1118 NZ LYS A 70 11.734 18.601 0.152 1.00 0.00 N ATOM 0 H LYS A 70 12.063 11.581 1.620 1.00 0.00 H new ATOM 0 HA LYS A 70 9.481 12.923 1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.969 13.890 1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.819 13.754 -0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.469 15.008 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.437 15.602 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.836 15.658 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.406 16.670 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.629 17.220 1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.001 16.991 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.281 19.289 0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.054 18.624 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.724 18.845 0.195 1.00 0.00 H new ATOM 1132 N LYS A 71 10.019 10.899 -0.591 1.00 0.00 N ATOM 1133 CA LYS A 71 9.569 10.340 -1.861 1.00 0.00 C ATOM 1134 C LYS A 71 8.566 9.217 -1.637 1.00 0.00 C ATOM 1135 O LYS A 71 8.931 8.117 -1.224 1.00 0.00 O ATOM 1136 CB LYS A 71 10.754 9.814 -2.672 1.00 0.00 C ATOM 1137 CG LYS A 71 11.680 8.899 -1.883 1.00 0.00 C ATOM 1138 CD LYS A 71 13.130 9.344 -1.988 1.00 0.00 C ATOM 1139 CE LYS A 71 13.507 10.296 -0.864 1.00 0.00 C ATOM 1140 NZ LYS A 71 14.415 9.653 0.126 1.00 0.00 N ATOM 0 H LYS A 71 10.481 10.230 0.025 1.00 0.00 H new ATOM 0 HA LYS A 71 9.083 11.140 -2.419 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.377 9.273 -3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.329 10.660 -3.049 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.377 8.889 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.585 7.878 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.782 8.471 -1.960 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.293 9.832 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.992 11.178 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.603 10.638 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.649 10.334 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.943 8.826 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.288 9.349 -0.350 1.00 0.00 H new ATOM 1154 N ILE A 72 7.302 9.501 -1.918 1.00 0.00 N ATOM 1155 CA ILE A 72 6.245 8.516 -1.755 1.00 0.00 C ATOM 1156 C ILE A 72 5.433 8.382 -3.037 1.00 0.00 C ATOM 1157 O ILE A 72 4.499 9.149 -3.274 1.00 0.00 O ATOM 1158 CB ILE A 72 5.301 8.888 -0.596 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.104 9.170 0.676 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.289 7.777 -0.356 1.00 0.00 C ATOM 1161 CD1 ILE A 72 5.638 10.400 1.424 1.00 0.00 C ATOM 0 H ILE A 72 6.984 10.408 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 72 6.725 7.565 -1.525 1.00 0.00 H new ATOM 0 HB ILE A 72 4.758 9.793 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.038 8.306 1.337 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.155 9.291 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.630 8.056 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.698 7.622 -1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.813 6.855 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.252 10.539 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.730 11.274 0.780 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.596 10.274 1.718 1.00 0.00 H new ATOM 1173 N GLU A 73 5.794 7.406 -3.863 1.00 0.00 N ATOM 1174 CA GLU A 73 5.093 7.183 -5.121 1.00 0.00 C ATOM 1175 C GLU A 73 4.019 6.115 -4.956 1.00 0.00 C ATOM 1176 O GLU A 73 4.152 5.210 -4.133 1.00 0.00 O ATOM 1177 CB GLU A 73 6.078 6.780 -6.221 1.00 0.00 C ATOM 1178 CG GLU A 73 6.037 7.690 -7.438 1.00 0.00 C ATOM 1179 CD GLU A 73 7.387 8.303 -7.756 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.890 9.092 -6.929 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.941 7.994 -8.832 1.00 0.00 O ATOM 0 H GLU A 73 6.563 6.760 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 73 4.610 8.116 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.088 6.781 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.862 5.759 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.689 7.121 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.312 8.486 -7.267 1.00 0.00 H new ATOM 1188 N VAL A 74 2.954 6.226 -5.741 1.00 0.00 N ATOM 1189 CA VAL A 74 1.857 5.269 -5.671 1.00 0.00 C ATOM 1190 C VAL A 74 1.507 4.725 -7.049 1.00 0.00 C ATOM 1191 O VAL A 74 1.062 5.466 -7.926 1.00 0.00 O ATOM 1192 CB VAL A 74 0.592 5.895 -5.049 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.344 4.812 -4.536 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.958 6.864 -3.935 1.00 0.00 C ATOM 0 H VAL A 74 2.827 6.966 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 74 2.201 4.453 -5.035 1.00 0.00 H new ATOM 0 HB VAL A 74 0.073 6.456 -5.826 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.230 5.273 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.640 4.165 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.166 4.220 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.049 7.292 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.505 6.333 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.582 7.662 -4.337 1.00 0.00 H new ATOM 1204 N GLU A 75 1.694 3.422 -7.227 1.00 0.00 N ATOM 1205 CA GLU A 75 1.381 2.773 -8.493 1.00 0.00 C ATOM 1206 C GLU A 75 -0.085 2.355 -8.517 1.00 0.00 C ATOM 1207 O GLU A 75 -0.413 1.208 -8.824 1.00 0.00 O ATOM 1208 CB GLU A 75 2.278 1.551 -8.703 1.00 0.00 C ATOM 1209 CG GLU A 75 2.417 1.141 -10.160 1.00 0.00 C ATOM 1210 CD GLU A 75 3.728 0.435 -10.446 1.00 0.00 C ATOM 1211 OE1 GLU A 75 4.131 -0.422 -9.631 1.00 0.00 O ATOM 1212 OE2 GLU A 75 4.351 0.739 -11.484 1.00 0.00 O ATOM 0 H GLU A 75 2.061 2.795 -6.511 1.00 0.00 H new ATOM 0 HA GLU A 75 1.562 3.481 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.267 1.763 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.874 0.713 -8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.589 0.485 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.340 2.026 -10.791 1.00 0.00 H new ATOM 1219 N PHE A 76 -0.963 3.293 -8.175 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.392 3.027 -8.138 1.00 0.00 C ATOM 1221 C PHE A 76 -3.052 3.391 -9.465 1.00 0.00 C ATOM 1222 O PHE A 76 -2.652 4.346 -10.130 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.021 3.783 -6.953 1.00 0.00 C ATOM 1224 CG PHE A 76 -4.058 4.816 -7.310 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.757 5.870 -8.160 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.334 4.735 -6.777 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.712 6.819 -8.473 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -6.290 5.682 -7.084 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.980 6.725 -7.935 1.00 0.00 C ATOM 0 H PHE A 76 -0.706 4.246 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.558 1.960 -7.991 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.477 3.054 -6.283 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.224 4.274 -6.395 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.766 5.950 -8.582 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.584 3.921 -6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.466 7.634 -9.138 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.280 5.608 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.728 7.465 -8.179 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.062 2.616 -9.845 1.00 0.00 N ATOM 1240 CA ASP A 77 -4.778 2.847 -11.093 1.00 0.00 C ATOM 1241 C ASP A 77 -5.975 3.762 -10.874 1.00 0.00 C ATOM 1242 O ASP A 77 -6.479 3.888 -9.757 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.247 1.517 -11.686 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.668 1.648 -13.137 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -5.147 2.551 -13.826 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -6.518 0.849 -13.584 1.00 0.00 O ATOM 0 H ASP A 77 -4.403 1.821 -9.305 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.094 3.332 -11.789 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.444 0.784 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.084 1.136 -11.101 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.439 4.388 -11.952 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.592 5.277 -11.879 1.00 0.00 C ATOM 1253 C LYS A 78 -8.865 4.522 -12.248 1.00 0.00 C ATOM 1254 O LYS A 78 -9.823 5.100 -12.760 1.00 0.00 O ATOM 1255 CB LYS A 78 -7.403 6.478 -12.810 1.00 0.00 C ATOM 1256 CG LYS A 78 -7.227 6.097 -14.270 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.024 7.323 -15.147 1.00 0.00 C ATOM 1258 CE LYS A 78 -5.670 7.968 -14.897 1.00 0.00 C ATOM 1259 NZ LYS A 78 -5.747 9.039 -13.865 1.00 0.00 N ATOM 0 H LYS A 78 -6.035 4.296 -12.884 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.683 5.641 -10.856 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.266 7.138 -12.717 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.531 7.046 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.371 5.430 -14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.103 5.546 -14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.105 7.039 -16.196 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.815 8.047 -14.951 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.959 7.206 -14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.290 8.388 -15.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.611 9.966 -14.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.679 9.011 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.005 8.888 -13.152 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.861 3.223 -11.968 1.00 0.00 N ATOM 1274 CA GLY A 79 -9.998 2.381 -12.250 1.00 0.00 C ATOM 1275 C GLY A 79 -10.011 1.208 -11.309 1.00 0.00 C ATOM 1276 O GLY A 79 -10.341 0.086 -11.691 1.00 0.00 O ATOM 0 H GLY A 79 -8.072 2.736 -11.543 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.920 2.953 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -9.956 2.031 -13.281 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.626 1.478 -10.068 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.565 0.452 -9.052 1.00 0.00 C ATOM 1282 C GLN A 80 -10.956 0.146 -8.533 1.00 0.00 C ATOM 1283 O GLN A 80 -11.706 1.042 -8.146 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.626 0.889 -7.911 1.00 0.00 C ATOM 1285 CG GLN A 80 -9.123 0.571 -6.502 1.00 0.00 C ATOM 1286 CD GLN A 80 -8.743 -0.824 -6.031 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -8.488 -1.037 -4.845 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -8.704 -1.783 -6.951 1.00 0.00 N ATOM 0 H GLN A 80 -9.351 2.406 -9.746 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.161 -0.461 -9.490 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.658 0.409 -8.055 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.463 1.964 -7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.716 1.305 -5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -10.208 0.673 -6.475 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.922 -1.566 -7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.456 -2.736 -6.684 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.284 -1.132 -8.544 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.587 -1.607 -8.085 1.00 0.00 C ATOM 1299 C ARG A 81 -12.786 -1.317 -6.597 1.00 0.00 C ATOM 1300 O ARG A 81 -12.885 -2.231 -5.778 1.00 0.00 O ATOM 1301 CB ARG A 81 -12.728 -3.107 -8.354 1.00 0.00 C ATOM 1302 CG ARG A 81 -13.549 -3.425 -9.593 1.00 0.00 C ATOM 1303 CD ARG A 81 -13.373 -4.871 -10.022 1.00 0.00 C ATOM 1304 NE ARG A 81 -14.574 -5.401 -10.662 1.00 0.00 N ATOM 1305 CZ ARG A 81 -15.667 -5.768 -9.998 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -15.715 -5.667 -8.676 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -16.717 -6.239 -10.658 1.00 0.00 N ATOM 0 H ARG A 81 -10.662 -1.872 -8.869 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.357 -1.072 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.735 -3.544 -8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.191 -3.581 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.602 -3.230 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.252 -2.764 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.532 -4.945 -10.711 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -13.127 -5.480 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 81 -14.575 -5.495 -11.678 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -14.911 -5.306 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -16.556 -5.950 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.686 -6.320 -11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.555 -6.520 -10.149 1.00 0.00 H new ATOM 1321 N THR A 82 -12.844 -0.034 -6.261 1.00 0.00 N ATOM 1322 CA THR A 82 -13.034 0.401 -4.886 1.00 0.00 C ATOM 1323 C THR A 82 -14.426 1.005 -4.703 1.00 0.00 C ATOM 1324 O THR A 82 -15.146 1.229 -5.675 1.00 0.00 O ATOM 1325 CB THR A 82 -11.975 1.433 -4.508 1.00 0.00 C ATOM 1326 OG1 THR A 82 -12.010 1.701 -3.118 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.144 2.748 -5.234 1.00 0.00 C ATOM 0 H THR A 82 -12.761 0.730 -6.932 1.00 0.00 H new ATOM 0 HA THR A 82 -12.937 -0.468 -4.236 1.00 0.00 H new ATOM 0 HB THR A 82 -11.021 0.993 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.095 1.771 -2.775 1.00 0.00 H new ATOM 0 HG21 THR A 82 -11.361 3.439 -4.922 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.074 2.582 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.119 3.173 -4.995 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.842 1.897 -1.619 1.00 0.00 N ATOM 1422 CA TRP A 88 -8.205 1.953 -2.933 1.00 0.00 C ATOM 1423 C TRP A 88 -6.897 1.171 -2.934 1.00 0.00 C ATOM 1424 O TRP A 88 -6.175 1.151 -1.944 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.885 3.404 -3.312 1.00 0.00 C ATOM 1426 CG TRP A 88 -9.047 4.194 -3.831 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -9.929 4.930 -3.094 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -9.437 4.354 -5.202 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -10.847 5.532 -3.920 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -10.568 5.193 -5.217 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.946 3.866 -6.419 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -11.212 5.556 -6.398 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -9.587 4.227 -7.589 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -10.709 5.064 -7.571 1.00 0.00 C ATOM 0 HA TRP A 88 -8.900 1.518 -3.651 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -7.482 3.912 -2.436 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -7.100 3.401 -4.068 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -9.908 5.025 -2.018 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.612 6.134 -3.616 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.082 3.219 -6.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -12.077 6.202 -6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.216 3.857 -8.533 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -11.188 5.327 -8.503 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.569 0.556 -4.056 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.310 -0.176 -4.156 1.00 0.00 C ATOM 1447 C LEU A 89 -4.169 0.825 -4.357 1.00 0.00 C ATOM 1448 O LEU A 89 -4.411 1.953 -4.781 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.366 -1.188 -5.312 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.818 -0.714 -6.670 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -5.325 0.681 -7.018 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.297 -0.749 -6.672 1.00 0.00 C ATOM 0 H LEU A 89 -7.142 0.545 -4.900 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.137 -0.736 -3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.812 -2.078 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.404 -1.490 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.183 -1.399 -7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.919 0.985 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.414 0.670 -7.069 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.005 1.386 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.927 -0.411 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.917 -0.093 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.956 -1.768 -6.489 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.931 0.430 -4.055 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.795 1.339 -4.222 1.00 0.00 C ATOM 1466 C ALA A 90 -0.470 0.689 -3.826 1.00 0.00 C ATOM 1467 O ALA A 90 -0.411 -0.118 -2.903 1.00 0.00 O ATOM 1468 CB ALA A 90 -2.017 2.609 -3.411 1.00 0.00 C ATOM 0 H ALA A 90 -2.691 -0.496 -3.700 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.731 1.587 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -1.166 3.278 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.925 3.105 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.119 2.354 -2.356 1.00 0.00 H new ATOM 1474 N TYR A 91 0.597 1.058 -4.528 1.00 0.00 N ATOM 1475 CA TYR A 91 1.924 0.523 -4.244 1.00 0.00 C ATOM 1476 C TYR A 91 2.805 1.587 -3.593 1.00 0.00 C ATOM 1477 O TYR A 91 3.911 1.864 -4.054 1.00 0.00 O ATOM 1478 CB TYR A 91 2.578 0.011 -5.529 1.00 0.00 C ATOM 1479 CG TYR A 91 1.929 -1.237 -6.082 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.607 -1.225 -6.504 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.639 -2.428 -6.181 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.008 -2.363 -7.010 1.00 0.00 C ATOM 1483 CE2 TYR A 91 2.048 -3.570 -6.685 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.733 -3.533 -7.099 1.00 0.00 C ATOM 1485 OH TYR A 91 0.141 -4.668 -7.601 1.00 0.00 O ATOM 0 H TYR A 91 0.568 1.726 -5.298 1.00 0.00 H new ATOM 0 HA TYR A 91 1.816 -0.310 -3.549 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.539 0.796 -6.284 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.631 -0.193 -5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.036 -0.311 -6.436 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.669 -2.461 -5.859 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.022 -2.336 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.613 -4.488 -6.755 1.00 0.00 H new ATOM 0 HH TYR A 91 0.788 -5.404 -7.597 1.00 0.00 H new ATOM 1495 N ILE A 92 2.296 2.183 -2.520 1.00 0.00 N ATOM 1496 CA ILE A 92 3.019 3.225 -1.797 1.00 0.00 C ATOM 1497 C ILE A 92 4.375 2.727 -1.306 1.00 0.00 C ATOM 1498 O ILE A 92 4.477 1.649 -0.722 1.00 0.00 O ATOM 1499 CB ILE A 92 2.213 3.734 -0.582 1.00 0.00 C ATOM 1500 CG1 ILE A 92 0.730 3.881 -0.936 1.00 0.00 C ATOM 1501 CG2 ILE A 92 2.780 5.057 -0.092 1.00 0.00 C ATOM 1502 CD1 ILE A 92 -0.156 2.854 -0.265 1.00 0.00 C ATOM 0 H ILE A 92 1.380 1.961 -2.129 1.00 0.00 H new ATOM 0 HA ILE A 92 3.167 4.043 -2.503 1.00 0.00 H new ATOM 0 HB ILE A 92 2.298 3.000 0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.394 4.879 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.613 3.800 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.203 5.405 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.820 4.920 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.724 5.796 -0.892 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.192 3.018 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.153 1.853 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.068 2.949 0.817 1.00 0.00 H new ATOM 1514 N TYR A 93 5.414 3.528 -1.535 1.00 0.00 N ATOM 1515 CA TYR A 93 6.760 3.170 -1.100 1.00 0.00 C ATOM 1516 C TYR A 93 7.593 4.408 -0.799 1.00 0.00 C ATOM 1517 O TYR A 93 7.362 5.479 -1.359 1.00 0.00 O ATOM 1518 CB TYR A 93 7.473 2.316 -2.148 1.00 0.00 C ATOM 1519 CG TYR A 93 7.407 2.857 -3.555 1.00 0.00 C ATOM 1520 CD1 TYR A 93 8.006 4.065 -3.885 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.759 2.149 -4.556 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.958 4.554 -5.176 1.00 0.00 C ATOM 1523 CE2 TYR A 93 6.708 2.629 -5.851 1.00 0.00 C ATOM 1524 CZ TYR A 93 7.308 3.832 -6.155 1.00 0.00 C ATOM 1525 OH TYR A 93 7.259 4.315 -7.443 1.00 0.00 O ATOM 0 H TYR A 93 5.349 4.425 -2.017 1.00 0.00 H new ATOM 0 HA TYR A 93 6.654 2.588 -0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.520 2.213 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.040 1.316 -2.137 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.517 4.631 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.286 1.207 -4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 93 8.427 5.496 -5.417 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.201 2.065 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 93 8.059 4.853 -7.621 1.00 0.00 H new ATOM 1535 N ALA A 94 8.569 4.248 0.090 1.00 0.00 N ATOM 1536 CA ALA A 94 9.448 5.345 0.471 1.00 0.00 C ATOM 1537 C ALA A 94 10.903 5.003 0.171 1.00 0.00 C ATOM 1538 O ALA A 94 11.380 3.921 0.513 1.00 0.00 O ATOM 1539 CB ALA A 94 9.270 5.673 1.946 1.00 0.00 C ATOM 0 H ALA A 94 8.770 3.366 0.560 1.00 0.00 H new ATOM 0 HA ALA A 94 9.179 6.222 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.932 6.495 2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.236 5.964 2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.514 4.796 2.546 1.00 0.00 H new ATOM 1545 N ASP A 95 11.603 5.931 -0.471 1.00 0.00 N ATOM 1546 CA ASP A 95 13.006 5.730 -0.821 1.00 0.00 C ATOM 1547 C ASP A 95 13.156 4.637 -1.877 1.00 0.00 C ATOM 1548 O ASP A 95 14.201 3.993 -1.973 1.00 0.00 O ATOM 1549 CB ASP A 95 13.823 5.370 0.423 1.00 0.00 C ATOM 1550 CG ASP A 95 15.312 5.562 0.212 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.751 6.725 0.104 1.00 0.00 O ATOM 1552 OD2 ASP A 95 16.039 4.547 0.156 1.00 0.00 O ATOM 0 H ASP A 95 11.222 6.832 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 95 13.384 6.664 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.495 5.986 1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.628 4.333 0.695 1.00 0.00 H new ATOM 1557 N GLY A 96 12.108 4.436 -2.670 1.00 0.00 N ATOM 1558 CA GLY A 96 12.146 3.424 -3.710 1.00 0.00 C ATOM 1559 C GLY A 96 11.984 2.016 -3.168 1.00 0.00 C ATOM 1560 O GLY A 96 12.347 1.045 -3.833 1.00 0.00 O ATOM 0 H GLY A 96 11.233 4.956 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.355 3.623 -4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.093 3.495 -4.245 1.00 0.00 H new ATOM 1564 N LYS A 97 11.437 1.899 -1.961 1.00 0.00 N ATOM 1565 CA LYS A 97 11.229 0.596 -1.341 1.00 0.00 C ATOM 1566 C LYS A 97 9.859 0.523 -0.675 1.00 0.00 C ATOM 1567 O LYS A 97 9.591 1.226 0.299 1.00 0.00 O ATOM 1568 CB LYS A 97 12.327 0.317 -0.312 1.00 0.00 C ATOM 1569 CG LYS A 97 12.554 1.460 0.662 1.00 0.00 C ATOM 1570 CD LYS A 97 13.573 1.091 1.727 1.00 0.00 C ATOM 1571 CE LYS A 97 14.995 1.244 1.214 1.00 0.00 C ATOM 1572 NZ LYS A 97 15.987 0.616 2.131 1.00 0.00 N ATOM 0 H LYS A 97 11.131 2.690 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 97 11.273 -0.162 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.068 -0.581 0.249 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.259 0.107 -0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.897 2.340 0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.610 1.727 1.137 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.431 1.724 2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.409 0.062 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.075 0.790 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.227 2.303 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.945 0.742 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.928 1.066 3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.781 -0.399 2.222 1.00 0.00 H new ATOM 1586 N MET A 98 8.993 -0.336 -1.207 1.00 0.00 N ATOM 1587 CA MET A 98 7.650 -0.501 -0.664 1.00 0.00 C ATOM 1588 C MET A 98 7.681 -1.303 0.632 1.00 0.00 C ATOM 1589 O MET A 98 8.551 -2.153 0.827 1.00 0.00 O ATOM 1590 CB MET A 98 6.734 -1.187 -1.683 1.00 0.00 C ATOM 1591 CG MET A 98 7.340 -2.426 -2.323 1.00 0.00 C ATOM 1592 SD MET A 98 6.171 -3.301 -3.383 1.00 0.00 S ATOM 1593 CE MET A 98 5.988 -2.124 -4.721 1.00 0.00 C ATOM 0 H MET A 98 9.198 -0.927 -2.012 1.00 0.00 H new ATOM 0 HA MET A 98 7.254 0.491 -0.448 1.00 0.00 H new ATOM 0 HB2 MET A 98 5.802 -1.464 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 98 6.480 -0.473 -2.467 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.212 -2.138 -2.910 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.691 -3.100 -1.541 1.00 0.00 H new ATOM 0 HE1 MET A 98 5.790 -2.658 -5.651 1.00 0.00 H new ATOM 0 HE2 MET A 98 5.157 -1.453 -4.504 1.00 0.00 H new ATOM 0 HE3 MET A 98 6.905 -1.544 -4.824 1.00 0.00 H new ATOM 1603 N VAL A 99 6.727 -1.027 1.517 1.00 0.00 N ATOM 1604 CA VAL A 99 6.644 -1.722 2.798 1.00 0.00 C ATOM 1605 C VAL A 99 6.717 -3.234 2.608 1.00 0.00 C ATOM 1606 O VAL A 99 7.229 -3.954 3.465 1.00 0.00 O ATOM 1607 CB VAL A 99 5.340 -1.375 3.539 1.00 0.00 C ATOM 1608 CG1 VAL A 99 5.370 0.064 4.031 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.135 -1.615 2.643 1.00 0.00 C ATOM 0 H VAL A 99 6.000 -0.327 1.370 1.00 0.00 H new ATOM 0 HA VAL A 99 7.494 -1.390 3.394 1.00 0.00 H new ATOM 0 HB VAL A 99 5.254 -2.029 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.440 0.290 4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.210 0.198 4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.482 0.737 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.223 -1.364 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.213 -0.990 1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.104 -2.664 2.347 1.00 0.00 H new