USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 795 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 56 CYS SG : rot 55:sc= -0.643 USER MOD Set 1.2: A 80 SER OG : rot 104:sc= 0.00584 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0.874 USER MOD Set 2.2: A 93 ASN : amide:sc= 0.712 K(o=1.6,f=0.95) USER MOD Set 3.1: A 28 HIS : no HD1:sc= -1.94! C(o=-2.5!,f=-3.5!) USER MOD Set 3.2: A 30 TYR OH : rot 180:sc= -0.576 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -3.47! C(o=-3.5!,f=-8.6!) USER MOD Single : A 13 ASN : amide:sc= -8.13! C(o=-8.1!,f=-13!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 25:sc= 0.49 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 28:sc= 0.503 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -3.42! C(o=-3.4!,f=-7.7!) USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.505 (180deg=-0.794) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.1) USER MOD Single : A 46 MET CE :methyl -127:sc= -1.36 (180deg=-5.19!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.0543 USER MOD Single : A 62 LYS NZ :NH3+ 159:sc= -0.0502 (180deg=-0.346) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.243 K(o=-0.24,f=-1.6) USER MOD Single : A 75 GLN : amide:sc= -0.578 K(o=-0.58,f=-2.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.478 X(o=-0.48,f=0.0023) USER MOD Single : A 95 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 97 SER OG : rot -112:sc= -0.477 USER MOD Single : A 102 LYS NZ :NH3+ -115:sc= -0.48 (180deg=-2.27!) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 10.122 -4.522 7.102 1.00 0.00 N ATOM 67 CA PRO A 8 8.978 -5.438 7.139 1.00 0.00 C ATOM 68 C PRO A 8 9.105 -6.567 6.122 1.00 0.00 C ATOM 69 O PRO A 8 10.108 -6.669 5.414 1.00 0.00 O ATOM 70 CB PRO A 8 7.790 -4.537 6.792 1.00 0.00 C ATOM 71 CG PRO A 8 8.381 -3.420 6.002 1.00 0.00 C ATOM 72 CD PRO A 8 9.760 -3.201 6.561 1.00 0.00 C ATOM 0 HA PRO A 8 8.886 -5.935 8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.039 -5.076 6.215 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.297 -4.168 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.425 -3.672 4.942 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.776 -2.517 6.090 1.00 0.00 H new ATOM 0 HD2 PRO A 8 10.459 -2.877 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.762 -2.435 7.336 1.00 0.00 H new ATOM 80 N LYS A 9 8.084 -7.414 6.054 1.00 0.00 N ATOM 81 CA LYS A 9 8.080 -8.535 5.122 1.00 0.00 C ATOM 82 C LYS A 9 7.072 -8.307 4.000 1.00 0.00 C ATOM 83 O LYS A 9 7.404 -8.427 2.820 1.00 0.00 O ATOM 84 CB LYS A 9 7.754 -9.836 5.858 1.00 0.00 C ATOM 85 CG LYS A 9 8.866 -10.310 6.778 1.00 0.00 C ATOM 86 CD LYS A 9 8.718 -9.731 8.176 1.00 0.00 C ATOM 87 CE LYS A 9 9.322 -10.650 9.226 1.00 0.00 C ATOM 88 NZ LYS A 9 10.789 -10.437 9.372 1.00 0.00 N ATOM 0 H LYS A 9 7.248 -7.345 6.634 1.00 0.00 H new ATOM 0 HA LYS A 9 9.075 -8.613 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.845 -9.695 6.443 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.543 -10.615 5.125 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.856 -11.399 6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.831 -10.020 6.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.204 -8.756 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.662 -9.571 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.833 -10.477 10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.131 -11.688 8.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.163 -11.082 10.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.259 -10.626 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.970 -9.453 9.657 1.00 0.00 H new ATOM 102 N ILE A 10 5.841 -7.976 4.375 1.00 0.00 N ATOM 103 CA ILE A 10 4.786 -7.729 3.400 1.00 0.00 C ATOM 104 C ILE A 10 5.012 -6.410 2.668 1.00 0.00 C ATOM 105 O ILE A 10 5.673 -5.507 3.183 1.00 0.00 O ATOM 106 CB ILE A 10 3.398 -7.701 4.067 1.00 0.00 C ATOM 107 CG1 ILE A 10 3.494 -7.094 5.468 1.00 0.00 C ATOM 108 CG2 ILE A 10 2.813 -9.104 4.130 1.00 0.00 C ATOM 109 CD1 ILE A 10 3.726 -8.119 6.556 1.00 0.00 C ATOM 0 H ILE A 10 5.550 -7.873 5.347 1.00 0.00 H new ATOM 0 HA ILE A 10 4.820 -8.550 2.684 1.00 0.00 H new ATOM 0 HB ILE A 10 2.734 -7.078 3.467 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.306 -6.367 5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.575 -6.550 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.832 -9.068 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.714 -9.503 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.473 -9.748 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.783 -7.617 7.522 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.902 -8.832 6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.660 -8.647 6.365 1.00 0.00 H new ATOM 121 N HIS A 11 4.459 -6.306 1.464 1.00 0.00 N ATOM 122 CA HIS A 11 4.598 -5.096 0.662 1.00 0.00 C ATOM 123 C HIS A 11 3.462 -4.982 -0.350 1.00 0.00 C ATOM 124 O HIS A 11 3.107 -5.957 -1.013 1.00 0.00 O ATOM 125 CB HIS A 11 5.944 -5.091 -0.063 1.00 0.00 C ATOM 126 CG HIS A 11 5.946 -5.892 -1.329 1.00 0.00 C ATOM 127 ND1 HIS A 11 5.210 -5.542 -2.441 1.00 0.00 N ATOM 128 CD2 HIS A 11 6.601 -7.030 -1.655 1.00 0.00 C ATOM 129 CE1 HIS A 11 5.412 -6.432 -3.397 1.00 0.00 C ATOM 130 NE2 HIS A 11 6.252 -7.346 -2.945 1.00 0.00 N ATOM 0 H HIS A 11 3.911 -7.044 1.023 1.00 0.00 H new ATOM 0 HA HIS A 11 4.552 -4.238 1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 11 6.219 -4.062 -0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 11 6.709 -5.483 0.607 1.00 0.00 H new ATOM 0 HD1 HIS A 11 4.605 -4.724 -2.514 1.00 0.00 H new ATOM 0 HD2 HIS A 11 7.273 -7.586 -1.019 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.966 -6.415 -4.381 1.00 0.00 H new ATOM 138 N PHE A 12 2.894 -3.785 -0.464 1.00 0.00 N ATOM 139 CA PHE A 12 1.797 -3.544 -1.394 1.00 0.00 C ATOM 140 C PHE A 12 2.295 -3.555 -2.836 1.00 0.00 C ATOM 141 O PHE A 12 3.412 -3.128 -3.122 1.00 0.00 O ATOM 142 CB PHE A 12 1.123 -2.206 -1.085 1.00 0.00 C ATOM 143 CG PHE A 12 0.289 -2.229 0.164 1.00 0.00 C ATOM 144 CD1 PHE A 12 -0.939 -2.870 0.181 1.00 0.00 C ATOM 145 CD2 PHE A 12 0.734 -1.609 1.321 1.00 0.00 C ATOM 146 CE1 PHE A 12 -1.709 -2.893 1.329 1.00 0.00 C ATOM 147 CE2 PHE A 12 -0.031 -1.630 2.472 1.00 0.00 C ATOM 148 CZ PHE A 12 -1.255 -2.271 2.476 1.00 0.00 C ATOM 0 H PHE A 12 3.176 -2.967 0.076 1.00 0.00 H new ATOM 0 HA PHE A 12 1.068 -4.346 -1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.889 -1.437 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.493 -1.923 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.299 -3.357 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.689 -1.104 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.664 -3.397 1.329 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.328 -1.145 3.368 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.855 -2.286 3.374 1.00 0.00 H new ATOM 158 N ASN A 13 1.455 -4.048 -3.742 1.00 0.00 N ATOM 159 CA ASN A 13 1.809 -4.116 -5.155 1.00 0.00 C ATOM 160 C ASN A 13 2.337 -2.772 -5.649 1.00 0.00 C ATOM 161 O ASN A 13 3.035 -2.701 -6.660 1.00 0.00 O ATOM 162 CB ASN A 13 0.596 -4.536 -5.986 1.00 0.00 C ATOM 163 CG ASN A 13 -0.675 -3.833 -5.551 1.00 0.00 C ATOM 164 OD1 ASN A 13 -0.693 -3.126 -4.543 1.00 0.00 O ATOM 165 ND2 ASN A 13 -1.747 -4.024 -6.311 1.00 0.00 N ATOM 0 H ASN A 13 0.525 -4.406 -3.522 1.00 0.00 H new ATOM 0 HA ASN A 13 2.596 -4.861 -5.271 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.786 -4.319 -7.037 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.458 -5.614 -5.903 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.631 -3.576 -6.068 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.687 -4.618 -7.138 1.00 0.00 H new ATOM 172 N PHE A 14 1.998 -1.708 -4.928 1.00 0.00 N ATOM 173 CA PHE A 14 2.437 -0.366 -5.292 1.00 0.00 C ATOM 174 C PHE A 14 2.712 0.473 -4.048 1.00 0.00 C ATOM 175 O PHE A 14 1.878 0.555 -3.146 1.00 0.00 O ATOM 176 CB PHE A 14 1.382 0.320 -6.161 1.00 0.00 C ATOM 177 CG PHE A 14 -0.021 -0.130 -5.868 1.00 0.00 C ATOM 178 CD1 PHE A 14 -0.669 0.285 -4.716 1.00 0.00 C ATOM 179 CD2 PHE A 14 -0.692 -0.967 -6.745 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.959 -0.128 -4.444 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.982 -1.383 -6.479 1.00 0.00 C ATOM 182 CZ PHE A 14 -2.617 -0.962 -5.327 1.00 0.00 C ATOM 0 H PHE A 14 1.421 -1.749 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 14 3.363 -0.455 -5.860 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.447 1.398 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 14 1.605 0.127 -7.210 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.160 0.939 -4.023 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.200 -1.298 -7.648 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.453 0.201 -3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.493 -2.036 -7.171 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.626 -1.284 -5.117 1.00 0.00 H new ATOM 192 N GLU A 15 3.887 1.093 -4.007 1.00 0.00 N ATOM 193 CA GLU A 15 4.272 1.925 -2.872 1.00 0.00 C ATOM 194 C GLU A 15 3.173 2.929 -2.536 1.00 0.00 C ATOM 195 O GLU A 15 2.728 3.020 -1.392 1.00 0.00 O ATOM 196 CB GLU A 15 5.578 2.663 -3.172 1.00 0.00 C ATOM 197 CG GLU A 15 6.530 1.878 -4.060 1.00 0.00 C ATOM 198 CD GLU A 15 7.974 2.311 -3.893 1.00 0.00 C ATOM 199 OE1 GLU A 15 8.595 1.928 -2.880 1.00 0.00 O ATOM 200 OE2 GLU A 15 8.482 3.033 -4.776 1.00 0.00 O ATOM 0 H GLU A 15 4.588 1.035 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 15 4.421 1.274 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.346 3.613 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.079 2.895 -2.232 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.444 0.816 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.235 2.003 -5.102 1.00 0.00 H new ATOM 207 N LEU A 16 2.741 3.682 -3.542 1.00 0.00 N ATOM 208 CA LEU A 16 1.694 4.681 -3.355 1.00 0.00 C ATOM 209 C LEU A 16 0.486 4.375 -4.234 1.00 0.00 C ATOM 210 O LEU A 16 0.616 3.767 -5.297 1.00 0.00 O ATOM 211 CB LEU A 16 2.232 6.077 -3.675 1.00 0.00 C ATOM 212 CG LEU A 16 1.183 7.143 -3.996 1.00 0.00 C ATOM 213 CD1 LEU A 16 1.701 8.527 -3.636 1.00 0.00 C ATOM 214 CD2 LEU A 16 0.793 7.082 -5.465 1.00 0.00 C ATOM 0 H LEU A 16 3.099 3.620 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 16 1.378 4.650 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.822 6.421 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.911 5.997 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 16 0.295 6.943 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.941 9.272 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.929 8.565 -2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.605 8.737 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.046 7.847 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.674 7.256 -6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.379 6.099 -5.691 1.00 0.00 H new ATOM 226 N LEU A 17 -0.689 4.802 -3.784 1.00 0.00 N ATOM 227 CA LEU A 17 -1.922 4.576 -4.530 1.00 0.00 C ATOM 228 C LEU A 17 -2.505 5.893 -5.030 1.00 0.00 C ATOM 229 O LEU A 17 -2.919 6.741 -4.239 1.00 0.00 O ATOM 230 CB LEU A 17 -2.946 3.851 -3.655 1.00 0.00 C ATOM 231 CG LEU A 17 -4.336 3.662 -4.263 1.00 0.00 C ATOM 232 CD1 LEU A 17 -4.324 2.531 -5.279 1.00 0.00 C ATOM 233 CD2 LEU A 17 -5.363 3.393 -3.174 1.00 0.00 C ATOM 0 H LEU A 17 -0.814 5.307 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.686 3.954 -5.393 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.546 2.869 -3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.052 4.404 -2.721 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.615 4.582 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.322 2.411 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.618 2.765 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.023 1.605 -4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.346 3.261 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.089 2.489 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.391 4.236 -2.484 1.00 0.00 H new ATOM 245 N ASP A 18 -2.537 6.058 -6.348 1.00 0.00 N ATOM 246 CA ASP A 18 -3.073 7.271 -6.954 1.00 0.00 C ATOM 247 C ASP A 18 -4.461 7.020 -7.536 1.00 0.00 C ATOM 248 O ASP A 18 -4.614 6.273 -8.503 1.00 0.00 O ATOM 249 CB ASP A 18 -2.132 7.779 -8.048 1.00 0.00 C ATOM 250 CG ASP A 18 -1.646 6.666 -8.956 1.00 0.00 C ATOM 251 OD1 ASP A 18 -0.702 5.949 -8.563 1.00 0.00 O ATOM 252 OD2 ASP A 18 -2.211 6.512 -10.059 1.00 0.00 O ATOM 0 H ASP A 18 -2.198 5.367 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.156 8.030 -6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.646 8.532 -8.645 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.274 8.269 -7.587 1.00 0.00 H new ATOM 257 N ILE A 19 -5.469 7.648 -6.940 1.00 0.00 N ATOM 258 CA ILE A 19 -6.844 7.492 -7.400 1.00 0.00 C ATOM 259 C ILE A 19 -7.285 8.693 -8.229 1.00 0.00 C ATOM 260 O ILE A 19 -8.454 8.812 -8.596 1.00 0.00 O ATOM 261 CB ILE A 19 -7.815 7.314 -6.218 1.00 0.00 C ATOM 262 CG1 ILE A 19 -7.608 8.425 -5.186 1.00 0.00 C ATOM 263 CG2 ILE A 19 -7.625 5.947 -5.578 1.00 0.00 C ATOM 264 CD1 ILE A 19 -8.686 8.474 -4.127 1.00 0.00 C ATOM 0 H ILE A 19 -5.360 8.269 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.871 6.596 -8.020 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.836 7.379 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.641 8.285 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.571 9.385 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.318 5.836 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.819 5.169 -6.317 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.602 5.855 -5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.475 9.285 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.653 8.645 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.708 7.528 -3.587 1.00 0.00 H new ATOM 276 N GLY A 20 -6.341 9.582 -8.523 1.00 0.00 N ATOM 277 CA GLY A 20 -6.652 10.762 -9.309 1.00 0.00 C ATOM 278 C GLY A 20 -7.933 11.436 -8.861 1.00 0.00 C ATOM 279 O GLY A 20 -8.239 11.476 -7.669 1.00 0.00 O ATOM 0 H GLY A 20 -5.367 9.506 -8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.827 11.471 -9.236 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.740 10.483 -10.359 1.00 0.00 H new ATOM 283 N LYS A 21 -8.684 11.970 -9.818 1.00 0.00 N ATOM 284 CA LYS A 21 -9.940 12.647 -9.517 1.00 0.00 C ATOM 285 C LYS A 21 -11.038 11.639 -9.195 1.00 0.00 C ATOM 286 O LYS A 21 -11.253 10.681 -9.938 1.00 0.00 O ATOM 287 CB LYS A 21 -10.367 13.523 -10.697 1.00 0.00 C ATOM 288 CG LYS A 21 -9.692 14.883 -10.721 1.00 0.00 C ATOM 289 CD LYS A 21 -10.477 15.881 -11.557 1.00 0.00 C ATOM 290 CE LYS A 21 -9.986 17.303 -11.335 1.00 0.00 C ATOM 291 NZ LYS A 21 -10.278 18.179 -12.503 1.00 0.00 N ATOM 0 H LYS A 21 -8.445 11.947 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.783 13.278 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.144 13.000 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.447 13.664 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.592 15.259 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.684 14.783 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.386 15.624 -12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.535 15.817 -11.304 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.459 17.716 -10.444 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.912 17.292 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.928 19.140 -12.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.806 17.800 -13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.305 18.211 -12.665 1.00 0.00 H new ATOM 305 N VAL A 22 -11.732 11.862 -8.083 1.00 0.00 N ATOM 306 CA VAL A 22 -12.810 10.974 -7.664 1.00 0.00 C ATOM 307 C VAL A 22 -14.029 11.768 -7.206 1.00 0.00 C ATOM 308 O VAL A 22 -13.995 12.437 -6.174 1.00 0.00 O ATOM 309 CB VAL A 22 -12.359 10.043 -6.522 1.00 0.00 C ATOM 310 CG1 VAL A 22 -11.258 9.108 -6.999 1.00 0.00 C ATOM 311 CG2 VAL A 22 -11.897 10.857 -5.323 1.00 0.00 C ATOM 0 H VAL A 22 -11.567 12.650 -7.456 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.078 10.370 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.210 9.435 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.952 8.458 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.629 8.501 -7.825 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.403 9.694 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.582 10.184 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.060 11.491 -5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -12.718 11.480 -4.968 1.00 0.00 H new ATOM 321 N PHE A 23 -15.106 11.687 -7.981 1.00 0.00 N ATOM 322 CA PHE A 23 -16.336 12.399 -7.656 1.00 0.00 C ATOM 323 C PHE A 23 -16.603 12.364 -6.154 1.00 0.00 C ATOM 324 O PHE A 23 -16.184 11.440 -5.457 1.00 0.00 O ATOM 325 CB PHE A 23 -17.519 11.786 -8.409 1.00 0.00 C ATOM 326 CG PHE A 23 -18.636 12.758 -8.663 1.00 0.00 C ATOM 327 CD1 PHE A 23 -18.412 13.916 -9.390 1.00 0.00 C ATOM 328 CD2 PHE A 23 -19.909 12.513 -8.175 1.00 0.00 C ATOM 329 CE1 PHE A 23 -19.438 14.812 -9.624 1.00 0.00 C ATOM 330 CE2 PHE A 23 -20.939 13.405 -8.406 1.00 0.00 C ATOM 331 CZ PHE A 23 -20.704 14.555 -9.133 1.00 0.00 C ATOM 0 H PHE A 23 -15.151 11.136 -8.838 1.00 0.00 H new ATOM 0 HA PHE A 23 -16.217 13.438 -7.963 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -17.168 11.391 -9.362 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -17.905 10.942 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.425 14.121 -9.778 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -20.099 11.614 -7.607 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -19.250 15.712 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -21.927 13.203 -8.018 1.00 0.00 H new ATOM 0 HZ PHE A 23 -21.508 15.252 -9.318 1.00 0.00 H new ATOM 341 N THR A 24 -17.305 13.380 -5.660 1.00 0.00 N ATOM 342 CA THR A 24 -17.628 13.468 -4.241 1.00 0.00 C ATOM 343 C THR A 24 -19.055 13.005 -3.972 1.00 0.00 C ATOM 344 O THR A 24 -19.948 13.206 -4.793 1.00 0.00 O ATOM 345 CB THR A 24 -17.459 14.906 -3.716 1.00 0.00 C ATOM 346 OG1 THR A 24 -17.409 14.902 -2.285 1.00 0.00 O ATOM 347 CG2 THR A 24 -18.603 15.792 -4.185 1.00 0.00 C ATOM 0 H THR A 24 -17.661 14.153 -6.222 1.00 0.00 H new ATOM 0 HA THR A 24 -16.932 12.813 -3.717 1.00 0.00 H new ATOM 0 HB THR A 24 -16.525 15.306 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 24 -17.095 14.028 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 24 -18.461 16.802 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 24 -18.621 15.817 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.548 15.393 -3.815 1.00 0.00 H new ATOM 355 N GLY A 25 -19.262 12.383 -2.815 1.00 0.00 N ATOM 356 CA GLY A 25 -20.583 11.901 -2.458 1.00 0.00 C ATOM 357 C GLY A 25 -20.710 10.397 -2.601 1.00 0.00 C ATOM 358 O GLY A 25 -21.143 9.713 -1.674 1.00 0.00 O ATOM 0 H GLY A 25 -18.538 12.205 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.804 12.185 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.327 12.387 -3.090 1.00 0.00 H new ATOM 362 N SER A 26 -20.333 9.881 -3.767 1.00 0.00 N ATOM 363 CA SER A 26 -20.412 8.449 -4.030 1.00 0.00 C ATOM 364 C SER A 26 -19.230 7.716 -3.404 1.00 0.00 C ATOM 365 O SER A 26 -18.313 8.337 -2.869 1.00 0.00 O ATOM 366 CB SER A 26 -20.450 8.187 -5.536 1.00 0.00 C ATOM 367 OG SER A 26 -19.262 8.640 -6.162 1.00 0.00 O ATOM 0 H SER A 26 -19.970 10.433 -4.544 1.00 0.00 H new ATOM 0 HA SER A 26 -21.330 8.072 -3.580 1.00 0.00 H new ATOM 0 HB2 SER A 26 -20.578 7.120 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 -21.311 8.691 -5.975 1.00 0.00 H new ATOM 0 HG SER A 26 -19.310 8.460 -7.124 1.00 0.00 H new ATOM 373 N ALA A 27 -19.260 6.389 -3.475 1.00 0.00 N ATOM 374 CA ALA A 27 -18.191 5.570 -2.918 1.00 0.00 C ATOM 375 C ALA A 27 -17.325 4.973 -4.022 1.00 0.00 C ATOM 376 O ALA A 27 -17.821 4.619 -5.092 1.00 0.00 O ATOM 377 CB ALA A 27 -18.771 4.467 -2.045 1.00 0.00 C ATOM 0 H ALA A 27 -20.013 5.859 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.559 6.211 -2.303 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -17.961 3.863 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -19.341 4.911 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -19.427 3.836 -2.644 1.00 0.00 H new ATOM 383 N HIS A 28 -16.027 4.863 -3.756 1.00 0.00 N ATOM 384 CA HIS A 28 -15.091 4.309 -4.727 1.00 0.00 C ATOM 385 C HIS A 28 -14.536 2.971 -4.245 1.00 0.00 C ATOM 386 O HIS A 28 -14.040 2.863 -3.124 1.00 0.00 O ATOM 387 CB HIS A 28 -13.945 5.288 -4.980 1.00 0.00 C ATOM 388 CG HIS A 28 -14.321 6.436 -5.865 1.00 0.00 C ATOM 389 ND1 HIS A 28 -13.917 6.536 -7.180 1.00 0.00 N ATOM 390 CD2 HIS A 28 -15.072 7.535 -5.619 1.00 0.00 C ATOM 391 CE1 HIS A 28 -14.400 7.649 -7.703 1.00 0.00 C ATOM 392 NE2 HIS A 28 -15.106 8.273 -6.777 1.00 0.00 N ATOM 0 H HIS A 28 -15.600 5.150 -2.876 1.00 0.00 H new ATOM 0 HA HIS A 28 -15.630 4.144 -5.660 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -13.593 5.677 -4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -13.112 4.750 -5.432 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -15.555 7.785 -4.686 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.244 7.991 -8.716 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.596 9.159 -6.902 1.00 0.00 H new ATOM 400 N CYS A 29 -14.626 1.958 -5.099 1.00 0.00 N ATOM 401 CA CYS A 29 -14.134 0.627 -4.759 1.00 0.00 C ATOM 402 C CYS A 29 -12.709 0.429 -5.265 1.00 0.00 C ATOM 403 O CYS A 29 -12.440 0.550 -6.460 1.00 0.00 O ATOM 404 CB CYS A 29 -15.051 -0.445 -5.351 1.00 0.00 C ATOM 405 SG CYS A 29 -15.061 -0.493 -7.158 1.00 0.00 S ATOM 0 H CYS A 29 -15.034 2.032 -6.031 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.132 0.534 -3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -14.742 -1.420 -4.974 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.068 -0.274 -4.997 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.923 -0.056 -7.610 1.00 0.00 H new ATOM 411 N TYR A 30 -11.798 0.124 -4.346 1.00 0.00 N ATOM 412 CA TYR A 30 -10.399 -0.087 -4.698 1.00 0.00 C ATOM 413 C TYR A 30 -9.929 -1.470 -4.257 1.00 0.00 C ATOM 414 O TYR A 30 -10.672 -2.215 -3.619 1.00 0.00 O ATOM 415 CB TYR A 30 -9.522 0.990 -4.057 1.00 0.00 C ATOM 416 CG TYR A 30 -9.936 2.400 -4.415 1.00 0.00 C ATOM 417 CD1 TYR A 30 -10.013 2.807 -5.741 1.00 0.00 C ATOM 418 CD2 TYR A 30 -10.250 3.325 -3.426 1.00 0.00 C ATOM 419 CE1 TYR A 30 -10.389 4.094 -6.072 1.00 0.00 C ATOM 420 CE2 TYR A 30 -10.629 4.613 -3.748 1.00 0.00 C ATOM 421 CZ TYR A 30 -10.696 4.993 -5.073 1.00 0.00 C ATOM 422 OH TYR A 30 -11.073 6.276 -5.399 1.00 0.00 O ATOM 0 H TYR A 30 -12.004 0.018 -3.353 1.00 0.00 H new ATOM 0 HA TYR A 30 -10.310 -0.021 -5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.553 0.875 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.488 0.835 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.775 2.105 -6.526 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.197 3.031 -2.388 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.442 4.395 -7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.872 5.319 -2.968 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.256 6.781 -4.580 1.00 0.00 H new ATOM 432 N GLU A 31 -8.690 -1.805 -4.603 1.00 0.00 N ATOM 433 CA GLU A 31 -8.120 -3.098 -4.243 1.00 0.00 C ATOM 434 C GLU A 31 -6.602 -3.009 -4.122 1.00 0.00 C ATOM 435 O GLU A 31 -5.911 -2.660 -5.078 1.00 0.00 O ATOM 436 CB GLU A 31 -8.498 -4.154 -5.284 1.00 0.00 C ATOM 437 CG GLU A 31 -8.340 -5.581 -4.789 1.00 0.00 C ATOM 438 CD GLU A 31 -8.631 -6.608 -5.866 1.00 0.00 C ATOM 439 OE1 GLU A 31 -8.479 -6.274 -7.060 1.00 0.00 O ATOM 440 OE2 GLU A 31 -9.010 -7.745 -5.515 1.00 0.00 O ATOM 0 H GLU A 31 -8.062 -1.199 -5.132 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.528 -3.389 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.533 -3.997 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.879 -4.015 -6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.324 -5.724 -4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.010 -5.745 -3.945 1.00 0.00 H new ATOM 447 N ALA A 32 -6.090 -3.326 -2.937 1.00 0.00 N ATOM 448 CA ALA A 32 -4.654 -3.283 -2.689 1.00 0.00 C ATOM 449 C ALA A 32 -4.119 -4.663 -2.321 1.00 0.00 C ATOM 450 O ALA A 32 -4.446 -5.203 -1.264 1.00 0.00 O ATOM 451 CB ALA A 32 -4.337 -2.281 -1.589 1.00 0.00 C ATOM 0 H ALA A 32 -6.648 -3.615 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.161 -2.964 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.261 -2.260 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.675 -1.290 -1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.847 -2.574 -0.672 1.00 0.00 H new ATOM 457 N ILE A 33 -3.297 -5.228 -3.198 1.00 0.00 N ATOM 458 CA ILE A 33 -2.717 -6.544 -2.964 1.00 0.00 C ATOM 459 C ILE A 33 -1.508 -6.456 -2.038 1.00 0.00 C ATOM 460 O ILE A 33 -0.716 -5.517 -2.122 1.00 0.00 O ATOM 461 CB ILE A 33 -2.291 -7.215 -4.283 1.00 0.00 C ATOM 462 CG1 ILE A 33 -3.311 -6.919 -5.384 1.00 0.00 C ATOM 463 CG2 ILE A 33 -2.134 -8.715 -4.088 1.00 0.00 C ATOM 464 CD1 ILE A 33 -4.740 -7.199 -4.974 1.00 0.00 C ATOM 0 H ILE A 33 -3.017 -4.794 -4.078 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.491 -7.149 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.328 -6.805 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.224 -5.873 -5.677 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.070 -7.517 -6.262 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.833 -9.175 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.373 -8.906 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.083 -9.141 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.409 -6.967 -5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.843 -8.251 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.000 -6.581 -4.114 1.00 0.00 H new ATOM 476 N LEU A 34 -1.372 -7.440 -1.156 1.00 0.00 N ATOM 477 CA LEU A 34 -0.259 -7.476 -0.215 1.00 0.00 C ATOM 478 C LEU A 34 0.503 -8.793 -0.321 1.00 0.00 C ATOM 479 O LEU A 34 -0.016 -9.852 0.033 1.00 0.00 O ATOM 480 CB LEU A 34 -0.767 -7.281 1.215 1.00 0.00 C ATOM 481 CG LEU A 34 0.269 -6.815 2.238 1.00 0.00 C ATOM 482 CD1 LEU A 34 0.902 -5.504 1.797 1.00 0.00 C ATOM 483 CD2 LEU A 34 -0.368 -6.665 3.612 1.00 0.00 C ATOM 0 H LEU A 34 -2.019 -8.224 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 34 0.422 -6.663 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.580 -6.555 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.190 -8.224 1.560 1.00 0.00 H new ATOM 0 HG LEU A 34 1.052 -7.570 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.637 -5.188 2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.394 -5.643 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.130 -4.741 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.384 -6.333 4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.171 -5.930 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.774 -7.625 3.932 1.00 0.00 H new ATOM 495 N TYR A 35 1.736 -8.720 -0.809 1.00 0.00 N ATOM 496 CA TYR A 35 2.569 -9.907 -0.962 1.00 0.00 C ATOM 497 C TYR A 35 3.393 -10.160 0.297 1.00 0.00 C ATOM 498 O TYR A 35 4.184 -9.314 0.714 1.00 0.00 O ATOM 499 CB TYR A 35 3.495 -9.754 -2.170 1.00 0.00 C ATOM 500 CG TYR A 35 2.763 -9.714 -3.492 1.00 0.00 C ATOM 501 CD1 TYR A 35 1.912 -8.662 -3.807 1.00 0.00 C ATOM 502 CD2 TYR A 35 2.923 -10.730 -4.427 1.00 0.00 C ATOM 503 CE1 TYR A 35 1.241 -8.622 -5.014 1.00 0.00 C ATOM 504 CE2 TYR A 35 2.257 -10.697 -5.637 1.00 0.00 C ATOM 505 CZ TYR A 35 1.417 -9.642 -5.926 1.00 0.00 C ATOM 506 OH TYR A 35 0.751 -9.607 -7.129 1.00 0.00 O ATOM 0 H TYR A 35 2.181 -7.851 -1.105 1.00 0.00 H new ATOM 0 HA TYR A 35 1.913 -10.762 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.076 -8.839 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.204 -10.582 -2.181 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.773 -7.861 -3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.579 -11.559 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.582 -7.797 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.394 -11.494 -6.353 1.00 0.00 H new ATOM 0 HH TYR A 35 0.986 -10.399 -7.656 1.00 0.00 H new ATOM 516 N ASN A 36 3.203 -11.331 0.896 1.00 0.00 N ATOM 517 CA ASN A 36 3.928 -11.696 2.107 1.00 0.00 C ATOM 518 C ASN A 36 5.234 -12.407 1.765 1.00 0.00 C ATOM 519 O ASN A 36 5.231 -13.554 1.315 1.00 0.00 O ATOM 520 CB ASN A 36 3.063 -12.594 2.993 1.00 0.00 C ATOM 521 CG ASN A 36 3.724 -12.904 4.322 1.00 0.00 C ATOM 522 OD1 ASN A 36 4.288 -12.021 4.969 1.00 0.00 O ATOM 523 ND2 ASN A 36 3.657 -14.164 4.736 1.00 0.00 N ATOM 0 H ASN A 36 2.553 -12.043 0.562 1.00 0.00 H new ATOM 0 HA ASN A 36 4.164 -10.780 2.649 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.104 -12.108 3.172 1.00 0.00 H new ATOM 0 HB3 ASN A 36 2.855 -13.526 2.468 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.083 -14.433 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.179 -14.863 4.167 1.00 0.00 H new ATOM 530 N LYS A 37 6.350 -11.720 1.982 1.00 0.00 N ATOM 531 CA LYS A 37 7.665 -12.284 1.699 1.00 0.00 C ATOM 532 C LYS A 37 8.291 -12.865 2.963 1.00 0.00 C ATOM 533 O LYS A 37 9.484 -12.696 3.210 1.00 0.00 O ATOM 534 CB LYS A 37 8.585 -11.215 1.106 1.00 0.00 C ATOM 535 CG LYS A 37 8.376 -10.989 -0.382 1.00 0.00 C ATOM 536 CD LYS A 37 6.946 -10.574 -0.687 1.00 0.00 C ATOM 537 CE LYS A 37 6.724 -10.397 -2.181 1.00 0.00 C ATOM 538 NZ LYS A 37 6.309 -11.670 -2.834 1.00 0.00 N ATOM 0 H LYS A 37 6.370 -10.770 2.354 1.00 0.00 H new ATOM 0 HA LYS A 37 7.539 -13.088 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.423 -10.275 1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.622 -11.503 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.062 -10.219 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.615 -11.902 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.258 -11.327 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.719 -9.641 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.960 -9.637 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.641 -10.033 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.895 -11.463 -3.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.139 -12.286 -2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.604 -12.151 -2.240 1.00 0.00 H new ATOM 552 N GLY A 38 7.477 -13.552 3.759 1.00 0.00 N ATOM 553 CA GLY A 38 7.970 -14.148 4.987 1.00 0.00 C ATOM 554 C GLY A 38 8.224 -15.636 4.848 1.00 0.00 C ATOM 555 O GLY A 38 7.879 -16.239 3.832 1.00 0.00 O ATOM 0 H GLY A 38 6.486 -13.706 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.894 -13.651 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.247 -13.979 5.785 1.00 0.00 H new ATOM 559 N SER A 39 8.831 -16.229 5.871 1.00 0.00 N ATOM 560 CA SER A 39 9.136 -17.655 5.856 1.00 0.00 C ATOM 561 C SER A 39 7.918 -18.476 6.269 1.00 0.00 C ATOM 562 O SER A 39 7.720 -19.594 5.794 1.00 0.00 O ATOM 563 CB SER A 39 10.309 -17.957 6.791 1.00 0.00 C ATOM 564 OG SER A 39 10.531 -19.353 6.895 1.00 0.00 O ATOM 0 H SER A 39 9.121 -15.744 6.720 1.00 0.00 H new ATOM 0 HA SER A 39 9.411 -17.932 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.210 -17.469 6.419 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.107 -17.543 7.779 1.00 0.00 H new ATOM 0 HG SER A 39 11.286 -19.520 7.497 1.00 0.00 H new ATOM 570 N ILE A 40 7.105 -17.911 7.156 1.00 0.00 N ATOM 571 CA ILE A 40 5.906 -18.589 7.632 1.00 0.00 C ATOM 572 C ILE A 40 4.746 -17.611 7.785 1.00 0.00 C ATOM 573 O ILE A 40 4.881 -16.422 7.496 1.00 0.00 O ATOM 574 CB ILE A 40 6.154 -19.290 8.981 1.00 0.00 C ATOM 575 CG1 ILE A 40 6.756 -18.307 9.988 1.00 0.00 C ATOM 576 CG2 ILE A 40 7.068 -20.491 8.794 1.00 0.00 C ATOM 577 CD1 ILE A 40 5.746 -17.343 10.569 1.00 0.00 C ATOM 0 H ILE A 40 7.255 -16.986 7.559 1.00 0.00 H new ATOM 0 HA ILE A 40 5.649 -19.339 6.884 1.00 0.00 H new ATOM 0 HB ILE A 40 5.199 -19.642 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.219 -18.869 10.800 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.549 -17.740 9.500 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.234 -20.976 9.756 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.604 -21.198 8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.023 -20.161 8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.243 -16.677 11.274 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.301 -16.755 9.766 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.966 -17.901 11.086 1.00 0.00 H new ATOM 589 N ASP A 41 3.608 -18.120 8.244 1.00 0.00 N ATOM 590 CA ASP A 41 2.424 -17.291 8.439 1.00 0.00 C ATOM 591 C ASP A 41 2.793 -15.958 9.082 1.00 0.00 C ATOM 592 O ASP A 41 3.193 -15.909 10.245 1.00 0.00 O ATOM 593 CB ASP A 41 1.399 -18.024 9.307 1.00 0.00 C ATOM 594 CG ASP A 41 1.281 -19.492 8.948 1.00 0.00 C ATOM 595 OD1 ASP A 41 1.028 -19.794 7.763 1.00 0.00 O ATOM 596 OD2 ASP A 41 1.441 -20.339 9.852 1.00 0.00 O ATOM 0 H ASP A 41 3.480 -19.102 8.488 1.00 0.00 H new ATOM 0 HA ASP A 41 1.985 -17.093 7.461 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.682 -17.931 10.355 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.425 -17.546 9.196 1.00 0.00 H new ATOM 601 N ALA A 42 2.658 -14.880 8.317 1.00 0.00 N ATOM 602 CA ALA A 42 2.976 -13.547 8.813 1.00 0.00 C ATOM 603 C ALA A 42 1.717 -12.810 9.254 1.00 0.00 C ATOM 604 O ALA A 42 0.753 -12.697 8.496 1.00 0.00 O ATOM 605 CB ALA A 42 3.711 -12.749 7.745 1.00 0.00 C ATOM 0 H ALA A 42 2.331 -14.904 7.351 1.00 0.00 H new ATOM 0 HA ALA A 42 3.625 -13.655 9.682 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.943 -11.755 8.128 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.636 -13.261 7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.081 -12.659 6.860 1.00 0.00 H new ATOM 611 N LEU A 43 1.730 -12.309 10.485 1.00 0.00 N ATOM 612 CA LEU A 43 0.588 -11.583 11.028 1.00 0.00 C ATOM 613 C LEU A 43 0.674 -10.099 10.687 1.00 0.00 C ATOM 614 O LEU A 43 1.728 -9.478 10.830 1.00 0.00 O ATOM 615 CB LEU A 43 0.517 -11.765 12.545 1.00 0.00 C ATOM 616 CG LEU A 43 0.211 -13.180 13.038 1.00 0.00 C ATOM 617 CD1 LEU A 43 1.479 -14.020 13.069 1.00 0.00 C ATOM 618 CD2 LEU A 43 -0.437 -13.138 14.414 1.00 0.00 C ATOM 0 H LEU A 43 2.519 -12.393 11.126 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.317 -11.989 10.576 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.469 -11.450 12.973 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.246 -11.093 12.936 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.490 -13.642 12.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.242 -15.024 13.422 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.901 -14.079 12.066 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.204 -13.560 13.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.647 -14.154 14.748 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.239 -12.656 15.120 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.368 -12.573 14.361 1.00 0.00 H new ATOM 630 N PHE A 44 -0.442 -9.535 10.236 1.00 0.00 N ATOM 631 CA PHE A 44 -0.493 -8.123 9.875 1.00 0.00 C ATOM 632 C PHE A 44 -1.768 -7.472 10.405 1.00 0.00 C ATOM 633 O PHE A 44 -2.781 -8.140 10.605 1.00 0.00 O ATOM 634 CB PHE A 44 -0.417 -7.960 8.356 1.00 0.00 C ATOM 635 CG PHE A 44 -1.698 -8.304 7.651 1.00 0.00 C ATOM 636 CD1 PHE A 44 -2.052 -9.626 7.434 1.00 0.00 C ATOM 637 CD2 PHE A 44 -2.548 -7.305 7.205 1.00 0.00 C ATOM 638 CE1 PHE A 44 -3.230 -9.946 6.786 1.00 0.00 C ATOM 639 CE2 PHE A 44 -3.728 -7.619 6.557 1.00 0.00 C ATOM 640 CZ PHE A 44 -4.069 -8.941 6.346 1.00 0.00 C ATOM 0 H PHE A 44 -1.323 -10.034 10.112 1.00 0.00 H new ATOM 0 HA PHE A 44 0.364 -7.626 10.330 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.148 -6.930 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.382 -8.593 7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.399 -10.416 7.775 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.286 -6.270 7.365 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.494 -10.981 6.624 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.383 -6.831 6.216 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.990 -9.188 5.838 1.00 0.00 H new ATOM 650 N ASN A 45 -1.708 -6.164 10.630 1.00 0.00 N ATOM 651 CA ASN A 45 -2.856 -5.422 11.137 1.00 0.00 C ATOM 652 C ASN A 45 -2.863 -3.994 10.599 1.00 0.00 C ATOM 653 O ASN A 45 -1.845 -3.498 10.116 1.00 0.00 O ATOM 654 CB ASN A 45 -2.841 -5.402 12.667 1.00 0.00 C ATOM 655 CG ASN A 45 -2.434 -6.737 13.259 1.00 0.00 C ATOM 656 OD1 ASN A 45 -1.271 -7.134 13.182 1.00 0.00 O ATOM 657 ND2 ASN A 45 -3.392 -7.438 13.853 1.00 0.00 N ATOM 0 H ASN A 45 -0.876 -5.596 10.469 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.761 -5.924 10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.152 -4.630 13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.831 -5.132 13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.178 -8.344 14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.343 -7.070 13.894 1.00 0.00 H new ATOM 664 N MET A 46 -4.016 -3.340 10.687 1.00 0.00 N ATOM 665 CA MET A 46 -4.154 -1.969 10.210 1.00 0.00 C ATOM 666 C MET A 46 -4.677 -1.059 11.317 1.00 0.00 C ATOM 667 O MET A 46 -5.663 -1.376 11.982 1.00 0.00 O ATOM 668 CB MET A 46 -5.095 -1.918 9.004 1.00 0.00 C ATOM 669 CG MET A 46 -4.733 -2.908 7.909 1.00 0.00 C ATOM 670 SD MET A 46 -5.195 -2.325 6.266 1.00 0.00 S ATOM 671 CE MET A 46 -3.982 -1.031 6.013 1.00 0.00 C ATOM 0 H MET A 46 -4.868 -3.737 11.084 1.00 0.00 H new ATOM 0 HA MET A 46 -3.169 -1.615 9.908 1.00 0.00 H new ATOM 0 HB2 MET A 46 -6.113 -2.116 9.339 1.00 0.00 H new ATOM 0 HB3 MET A 46 -5.086 -0.910 8.589 1.00 0.00 H new ATOM 0 HG2 MET A 46 -3.660 -3.096 7.935 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.228 -3.859 8.106 1.00 0.00 H new ATOM 0 HE1 MET A 46 -4.489 -0.105 5.742 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.415 -0.879 6.931 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.303 -1.321 5.211 1.00 0.00 H new ATOM 681 N THR A 47 -4.010 0.075 11.509 1.00 0.00 N ATOM 682 CA THR A 47 -4.407 1.030 12.536 1.00 0.00 C ATOM 683 C THR A 47 -5.322 2.106 11.963 1.00 0.00 C ATOM 684 O THR A 47 -5.047 2.697 10.919 1.00 0.00 O ATOM 685 CB THR A 47 -3.181 1.705 13.179 1.00 0.00 C ATOM 686 OG1 THR A 47 -2.599 0.835 14.157 1.00 0.00 O ATOM 687 CG2 THR A 47 -3.569 3.023 13.833 1.00 0.00 C ATOM 0 H THR A 47 -3.193 0.354 10.967 1.00 0.00 H new ATOM 0 HA THR A 47 -4.945 0.468 13.299 1.00 0.00 H new ATOM 0 HB THR A 47 -2.453 1.908 12.394 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.819 1.271 14.560 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.687 3.481 14.280 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.984 3.694 13.081 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.314 2.840 14.607 1.00 0.00 H new ATOM 695 N PRO A 48 -6.438 2.367 12.659 1.00 0.00 N ATOM 696 CA PRO A 48 -7.417 3.374 12.238 1.00 0.00 C ATOM 697 C PRO A 48 -6.881 4.796 12.375 1.00 0.00 C ATOM 698 O PRO A 48 -6.206 5.140 13.345 1.00 0.00 O ATOM 699 CB PRO A 48 -8.590 3.151 13.195 1.00 0.00 C ATOM 700 CG PRO A 48 -7.979 2.536 14.407 1.00 0.00 C ATOM 701 CD PRO A 48 -6.830 1.700 13.912 1.00 0.00 C ATOM 0 HA PRO A 48 -7.682 3.270 11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.088 4.090 13.436 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.341 2.496 12.754 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.634 3.302 15.102 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.705 1.924 14.942 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.010 1.679 14.630 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.130 0.666 13.740 1.00 0.00 H new ATOM 709 N PRO A 49 -7.188 5.642 11.381 1.00 0.00 N ATOM 710 CA PRO A 49 -6.748 7.041 11.368 1.00 0.00 C ATOM 711 C PRO A 49 -7.450 7.879 12.431 1.00 0.00 C ATOM 712 O PRO A 49 -8.506 7.500 12.939 1.00 0.00 O ATOM 713 CB PRO A 49 -7.134 7.521 9.967 1.00 0.00 C ATOM 714 CG PRO A 49 -8.262 6.637 9.560 1.00 0.00 C ATOM 715 CD PRO A 49 -7.989 5.300 10.193 1.00 0.00 C ATOM 0 HA PRO A 49 -5.685 7.136 11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.436 8.568 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.296 7.437 9.275 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.216 7.041 9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.319 6.551 8.475 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -8.912 4.788 10.465 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.445 4.639 9.518 1.00 0.00 H new ATOM 723 N THR A 50 -6.857 9.022 12.763 1.00 0.00 N ATOM 724 CA THR A 50 -7.425 9.913 13.766 1.00 0.00 C ATOM 725 C THR A 50 -7.831 11.247 13.150 1.00 0.00 C ATOM 726 O THR A 50 -7.882 12.269 13.834 1.00 0.00 O ATOM 727 CB THR A 50 -6.432 10.173 14.915 1.00 0.00 C ATOM 728 OG1 THR A 50 -5.192 10.661 14.389 1.00 0.00 O ATOM 729 CG2 THR A 50 -6.185 8.902 15.714 1.00 0.00 C ATOM 0 H THR A 50 -5.984 9.352 12.352 1.00 0.00 H new ATOM 0 HA THR A 50 -8.309 9.416 14.165 1.00 0.00 H new ATOM 0 HB THR A 50 -6.865 10.922 15.578 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.567 10.826 15.125 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.481 9.110 16.520 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.126 8.549 16.136 1.00 0.00 H new ATOM 0 HG23 THR A 50 -5.771 8.135 15.059 1.00 0.00 H new ATOM 737 N SER A 51 -8.120 11.231 11.852 1.00 0.00 N ATOM 738 CA SER A 51 -8.518 12.440 11.142 1.00 0.00 C ATOM 739 C SER A 51 -9.896 12.270 10.510 1.00 0.00 C ATOM 740 O SER A 51 -10.356 11.150 10.291 1.00 0.00 O ATOM 741 CB SER A 51 -7.489 12.787 10.065 1.00 0.00 C ATOM 742 OG SER A 51 -6.388 13.487 10.617 1.00 0.00 O ATOM 0 H SER A 51 -8.086 10.393 11.271 1.00 0.00 H new ATOM 0 HA SER A 51 -8.567 13.256 11.863 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.139 11.873 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.959 13.394 9.291 1.00 0.00 H new ATOM 0 HG SER A 51 -5.744 13.695 9.908 1.00 0.00 H new ATOM 748 N ALA A 52 -10.549 13.390 10.218 1.00 0.00 N ATOM 749 CA ALA A 52 -11.873 13.366 9.609 1.00 0.00 C ATOM 750 C ALA A 52 -11.828 12.732 8.223 1.00 0.00 C ATOM 751 O ALA A 52 -12.731 11.986 7.840 1.00 0.00 O ATOM 752 CB ALA A 52 -12.443 14.775 9.529 1.00 0.00 C ATOM 0 H ALA A 52 -10.182 14.326 10.393 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.524 12.758 10.237 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.432 14.742 9.072 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.521 15.194 10.532 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.785 15.400 8.925 1.00 0.00 H new ATOM 758 N LEU A 53 -10.773 13.033 7.474 1.00 0.00 N ATOM 759 CA LEU A 53 -10.611 12.492 6.128 1.00 0.00 C ATOM 760 C LEU A 53 -10.262 11.008 6.176 1.00 0.00 C ATOM 761 O LEU A 53 -10.991 10.171 5.646 1.00 0.00 O ATOM 762 CB LEU A 53 -9.522 13.260 5.377 1.00 0.00 C ATOM 763 CG LEU A 53 -9.673 13.323 3.856 1.00 0.00 C ATOM 764 CD1 LEU A 53 -9.517 11.938 3.247 1.00 0.00 C ATOM 765 CD2 LEU A 53 -11.018 13.926 3.478 1.00 0.00 C ATOM 0 H LEU A 53 -10.017 13.648 7.775 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.558 12.606 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.493 14.279 5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.559 12.805 5.608 1.00 0.00 H new ATOM 0 HG LEU A 53 -8.886 13.963 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.627 12.002 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.530 11.543 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.282 11.275 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.108 13.963 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.820 13.312 3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.091 14.935 3.883 1.00 0.00 H new ATOM 777 N GLY A 54 -9.142 10.689 6.818 1.00 0.00 N ATOM 778 CA GLY A 54 -8.717 9.306 6.926 1.00 0.00 C ATOM 779 C GLY A 54 -9.851 8.379 7.317 1.00 0.00 C ATOM 780 O GLY A 54 -10.145 7.415 6.612 1.00 0.00 O ATOM 0 H GLY A 54 -8.522 11.364 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.300 8.982 5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -7.919 9.231 7.665 1.00 0.00 H new ATOM 784 N ALA A 55 -10.489 8.672 8.446 1.00 0.00 N ATOM 785 CA ALA A 55 -11.597 7.858 8.930 1.00 0.00 C ATOM 786 C ALA A 55 -12.482 7.395 7.778 1.00 0.00 C ATOM 787 O ALA A 55 -12.831 6.217 7.685 1.00 0.00 O ATOM 788 CB ALA A 55 -12.417 8.635 9.949 1.00 0.00 C ATOM 0 H ALA A 55 -10.257 9.467 9.042 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.182 6.973 9.413 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.241 8.015 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.783 8.911 10.792 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.815 9.537 9.484 1.00 0.00 H new ATOM 794 N CYS A 56 -12.842 8.327 6.903 1.00 0.00 N ATOM 795 CA CYS A 56 -13.689 8.015 5.757 1.00 0.00 C ATOM 796 C CYS A 56 -13.258 6.705 5.104 1.00 0.00 C ATOM 797 O CYS A 56 -14.092 5.877 4.741 1.00 0.00 O ATOM 798 CB CYS A 56 -13.638 9.150 4.734 1.00 0.00 C ATOM 799 SG CYS A 56 -13.777 10.802 5.457 1.00 0.00 S ATOM 0 H CYS A 56 -12.561 9.305 6.965 1.00 0.00 H new ATOM 0 HA CYS A 56 -14.713 7.903 6.113 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -12.701 9.085 4.181 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -14.444 9.012 4.013 1.00 0.00 H new ATOM 0 HG CYS A 56 -12.861 10.956 6.367 1.00 0.00 H new ATOM 805 N PHE A 57 -11.949 6.527 4.956 1.00 0.00 N ATOM 806 CA PHE A 57 -11.407 5.319 4.344 1.00 0.00 C ATOM 807 C PHE A 57 -11.739 4.088 5.183 1.00 0.00 C ATOM 808 O PHE A 57 -11.852 4.169 6.406 1.00 0.00 O ATOM 809 CB PHE A 57 -9.891 5.443 4.177 1.00 0.00 C ATOM 810 CG PHE A 57 -9.484 6.352 3.053 1.00 0.00 C ATOM 811 CD1 PHE A 57 -9.578 7.728 3.187 1.00 0.00 C ATOM 812 CD2 PHE A 57 -9.008 5.830 1.861 1.00 0.00 C ATOM 813 CE1 PHE A 57 -9.206 8.566 2.154 1.00 0.00 C ATOM 814 CE2 PHE A 57 -8.633 6.664 0.824 1.00 0.00 C ATOM 815 CZ PHE A 57 -8.731 8.033 0.971 1.00 0.00 C ATOM 0 H PHE A 57 -11.245 7.203 5.251 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.865 5.202 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.460 5.813 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.470 4.453 4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.947 8.150 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.929 4.760 1.741 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.286 9.637 2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.264 6.245 -0.100 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.437 8.686 0.163 1.00 0.00 H new ATOM 825 N VAL A 58 -11.893 2.949 4.515 1.00 0.00 N ATOM 826 CA VAL A 58 -12.211 1.700 5.198 1.00 0.00 C ATOM 827 C VAL A 58 -11.429 0.535 4.604 1.00 0.00 C ATOM 828 O VAL A 58 -11.653 0.142 3.459 1.00 0.00 O ATOM 829 CB VAL A 58 -13.717 1.386 5.120 1.00 0.00 C ATOM 830 CG1 VAL A 58 -14.020 0.055 5.791 1.00 0.00 C ATOM 831 CG2 VAL A 58 -14.528 2.508 5.751 1.00 0.00 C ATOM 0 H VAL A 58 -11.803 2.865 3.502 1.00 0.00 H new ATOM 0 HA VAL A 58 -11.928 1.829 6.243 1.00 0.00 H new ATOM 0 HB VAL A 58 -14.001 1.309 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -15.089 -0.150 5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -13.467 -0.739 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.722 0.099 6.839 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -15.590 2.270 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -14.243 2.619 6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.333 3.440 5.221 1.00 0.00 H new ATOM 841 N PHE A 59 -10.509 -0.015 5.390 1.00 0.00 N ATOM 842 CA PHE A 59 -9.692 -1.137 4.941 1.00 0.00 C ATOM 843 C PHE A 59 -10.224 -2.454 5.499 1.00 0.00 C ATOM 844 O PHE A 59 -10.552 -2.553 6.681 1.00 0.00 O ATOM 845 CB PHE A 59 -8.237 -0.939 5.371 1.00 0.00 C ATOM 846 CG PHE A 59 -7.516 0.115 4.579 1.00 0.00 C ATOM 847 CD1 PHE A 59 -7.992 1.416 4.540 1.00 0.00 C ATOM 848 CD2 PHE A 59 -6.364 -0.195 3.876 1.00 0.00 C ATOM 849 CE1 PHE A 59 -7.331 2.388 3.812 1.00 0.00 C ATOM 850 CE2 PHE A 59 -5.699 0.773 3.146 1.00 0.00 C ATOM 851 CZ PHE A 59 -6.183 2.066 3.115 1.00 0.00 C ATOM 0 H PHE A 59 -10.311 0.298 6.340 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.740 -1.178 3.853 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.212 -0.669 6.427 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.705 -1.885 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.889 1.673 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.980 -1.204 3.898 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.712 3.398 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.802 0.518 2.601 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.665 2.824 2.547 1.00 0.00 H new ATOM 861 N SER A 60 -10.306 -3.464 4.638 1.00 0.00 N ATOM 862 CA SER A 60 -10.801 -4.774 5.042 1.00 0.00 C ATOM 863 C SER A 60 -10.205 -5.873 4.168 1.00 0.00 C ATOM 864 O SER A 60 -10.158 -5.770 2.942 1.00 0.00 O ATOM 865 CB SER A 60 -12.328 -4.813 4.959 1.00 0.00 C ATOM 866 OG SER A 60 -12.868 -5.719 5.905 1.00 0.00 O ATOM 0 H SER A 60 -10.036 -3.399 3.657 1.00 0.00 H new ATOM 0 HA SER A 60 -10.495 -4.948 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.730 -3.815 5.136 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.633 -5.107 3.955 1.00 0.00 H new ATOM 0 HG SER A 60 -13.845 -5.724 5.832 1.00 0.00 H new ATOM 872 N PRO A 61 -9.738 -6.953 4.813 1.00 0.00 N ATOM 873 CA PRO A 61 -9.788 -7.086 6.272 1.00 0.00 C ATOM 874 C PRO A 61 -8.830 -6.130 6.975 1.00 0.00 C ATOM 875 O PRO A 61 -7.756 -5.820 6.460 1.00 0.00 O ATOM 876 CB PRO A 61 -9.365 -8.538 6.510 1.00 0.00 C ATOM 877 CG PRO A 61 -8.539 -8.891 5.322 1.00 0.00 C ATOM 878 CD PRO A 61 -9.124 -8.125 4.168 1.00 0.00 C ATOM 0 HA PRO A 61 -10.773 -6.844 6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.794 -8.638 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.231 -9.193 6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.494 -8.622 5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.567 -9.964 5.132 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.358 -7.833 3.450 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.861 -8.717 3.625 1.00 0.00 H new ATOM 886 N LYS A 62 -9.226 -5.666 8.156 1.00 0.00 N ATOM 887 CA LYS A 62 -8.402 -4.746 8.932 1.00 0.00 C ATOM 888 C LYS A 62 -7.230 -5.478 9.578 1.00 0.00 C ATOM 889 O LYS A 62 -6.321 -4.853 10.122 1.00 0.00 O ATOM 890 CB LYS A 62 -9.245 -4.059 10.009 1.00 0.00 C ATOM 891 CG LYS A 62 -9.834 -5.021 11.025 1.00 0.00 C ATOM 892 CD LYS A 62 -11.057 -4.432 11.708 1.00 0.00 C ATOM 893 CE LYS A 62 -12.299 -4.566 10.840 1.00 0.00 C ATOM 894 NZ LYS A 62 -12.728 -5.985 10.701 1.00 0.00 N ATOM 0 H LYS A 62 -10.112 -5.912 8.597 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.006 -3.991 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -8.628 -3.327 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.055 -3.510 9.529 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.106 -5.953 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.081 -5.267 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.221 -4.936 12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.879 -3.380 11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.110 -3.982 11.275 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.099 -4.149 9.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.730 -6.019 10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.152 -6.452 9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.602 -6.476 11.609 1.00 0.00 H new ATOM 908 N GLU A 63 -7.258 -6.806 9.512 1.00 0.00 N ATOM 909 CA GLU A 63 -6.197 -7.621 10.091 1.00 0.00 C ATOM 910 C GLU A 63 -6.365 -9.087 9.703 1.00 0.00 C ATOM 911 O GLU A 63 -7.435 -9.506 9.263 1.00 0.00 O ATOM 912 CB GLU A 63 -6.191 -7.483 11.615 1.00 0.00 C ATOM 913 CG GLU A 63 -7.455 -8.003 12.278 1.00 0.00 C ATOM 914 CD GLU A 63 -7.318 -8.120 13.784 1.00 0.00 C ATOM 915 OE1 GLU A 63 -7.476 -7.092 14.475 1.00 0.00 O ATOM 916 OE2 GLU A 63 -7.053 -9.239 14.271 1.00 0.00 O ATOM 0 H GLU A 63 -8.003 -7.339 9.064 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.245 -7.265 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.332 -8.021 12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.060 -6.433 11.876 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.285 -7.336 12.043 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.703 -8.980 11.863 1.00 0.00 H new ATOM 923 N GLY A 64 -5.298 -9.863 9.870 1.00 0.00 N ATOM 924 CA GLY A 64 -5.347 -11.274 9.532 1.00 0.00 C ATOM 925 C GLY A 64 -3.967 -11.876 9.357 1.00 0.00 C ATOM 926 O GLY A 64 -3.005 -11.431 9.983 1.00 0.00 O ATOM 0 H GLY A 64 -4.401 -9.540 10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.879 -11.814 10.315 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.916 -11.405 8.612 1.00 0.00 H new ATOM 930 N ILE A 65 -3.870 -12.892 8.506 1.00 0.00 N ATOM 931 CA ILE A 65 -2.597 -13.556 8.252 1.00 0.00 C ATOM 932 C ILE A 65 -2.414 -13.843 6.766 1.00 0.00 C ATOM 933 O ILE A 65 -3.332 -14.319 6.097 1.00 0.00 O ATOM 934 CB ILE A 65 -2.486 -14.878 9.036 1.00 0.00 C ATOM 935 CG1 ILE A 65 -2.858 -14.658 10.504 1.00 0.00 C ATOM 936 CG2 ILE A 65 -1.079 -15.445 8.919 1.00 0.00 C ATOM 937 CD1 ILE A 65 -3.273 -15.926 11.218 1.00 0.00 C ATOM 0 H ILE A 65 -4.657 -13.273 7.981 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.814 -12.876 8.588 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.184 -15.598 8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.007 -14.219 11.025 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.672 -13.936 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.015 -16.379 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.849 -15.633 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.364 -14.730 9.325 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.523 -15.695 12.254 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.144 -16.355 10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.452 -16.643 11.194 1.00 0.00 H new ATOM 949 N ILE A 66 -1.222 -13.551 6.256 1.00 0.00 N ATOM 950 CA ILE A 66 -0.917 -13.780 4.849 1.00 0.00 C ATOM 951 C ILE A 66 0.093 -14.910 4.682 1.00 0.00 C ATOM 952 O ILE A 66 1.281 -14.738 4.954 1.00 0.00 O ATOM 953 CB ILE A 66 -0.364 -12.509 4.178 1.00 0.00 C ATOM 954 CG1 ILE A 66 -1.279 -11.316 4.465 1.00 0.00 C ATOM 955 CG2 ILE A 66 -0.216 -12.722 2.679 1.00 0.00 C ATOM 956 CD1 ILE A 66 -0.748 -10.005 3.928 1.00 0.00 C ATOM 0 H ILE A 66 -0.452 -13.156 6.796 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.853 -14.058 4.365 1.00 0.00 H new ATOM 0 HB ILE A 66 0.621 -12.296 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.260 -11.507 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.420 -11.228 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.176 -11.815 2.220 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.471 -13.548 2.495 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.189 -12.956 2.247 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.447 -9.204 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.219 -9.791 4.383 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.633 -10.075 2.846 1.00 0.00 H new ATOM 968 N GLU A 67 -0.387 -16.065 4.232 1.00 0.00 N ATOM 969 CA GLU A 67 0.476 -17.223 4.029 1.00 0.00 C ATOM 970 C GLU A 67 1.784 -16.815 3.357 1.00 0.00 C ATOM 971 O GLU A 67 1.858 -15.817 2.639 1.00 0.00 O ATOM 972 CB GLU A 67 -0.239 -18.276 3.180 1.00 0.00 C ATOM 973 CG GLU A 67 -0.839 -17.721 1.899 1.00 0.00 C ATOM 974 CD GLU A 67 -1.373 -18.808 0.986 1.00 0.00 C ATOM 975 OE1 GLU A 67 -1.041 -19.990 1.215 1.00 0.00 O ATOM 976 OE2 GLU A 67 -2.121 -18.477 0.043 1.00 0.00 O ATOM 0 H GLU A 67 -1.368 -16.224 4.001 1.00 0.00 H new ATOM 0 HA GLU A 67 0.706 -17.649 5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.467 -19.067 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.031 -18.733 3.774 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.646 -17.033 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.082 -17.145 1.367 1.00 0.00 H new ATOM 983 N PRO A 68 2.842 -17.604 3.595 1.00 0.00 N ATOM 984 CA PRO A 68 4.166 -17.346 3.023 1.00 0.00 C ATOM 985 C PRO A 68 4.204 -17.584 1.517 1.00 0.00 C ATOM 986 O PRO A 68 3.623 -18.547 1.016 1.00 0.00 O ATOM 987 CB PRO A 68 5.067 -18.352 3.745 1.00 0.00 C ATOM 988 CG PRO A 68 4.152 -19.456 4.151 1.00 0.00 C ATOM 989 CD PRO A 68 2.826 -18.810 4.440 1.00 0.00 C ATOM 0 HA PRO A 68 4.471 -16.308 3.155 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.859 -18.715 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.551 -17.900 4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.060 -20.198 3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.533 -19.975 5.030 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.995 -19.468 4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.723 -18.559 5.496 1.00 0.00 H new ATOM 997 N SER A 69 4.892 -16.701 0.800 1.00 0.00 N ATOM 998 CA SER A 69 5.002 -16.813 -0.650 1.00 0.00 C ATOM 999 C SER A 69 3.630 -16.710 -1.309 1.00 0.00 C ATOM 1000 O SER A 69 3.359 -17.369 -2.312 1.00 0.00 O ATOM 1001 CB SER A 69 5.665 -18.138 -1.031 1.00 0.00 C ATOM 1002 OG SER A 69 7.077 -18.023 -1.020 1.00 0.00 O ATOM 0 H SER A 69 5.382 -15.900 1.199 1.00 0.00 H new ATOM 0 HA SER A 69 5.620 -15.989 -1.007 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.355 -18.917 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.330 -18.444 -2.022 1.00 0.00 H new ATOM 0 HG SER A 69 7.477 -18.883 -1.265 1.00 0.00 H new ATOM 1008 N GLY A 70 2.766 -15.877 -0.736 1.00 0.00 N ATOM 1009 CA GLY A 70 1.432 -15.702 -1.280 1.00 0.00 C ATOM 1010 C GLY A 70 1.034 -14.243 -1.381 1.00 0.00 C ATOM 1011 O GLY A 70 1.886 -13.355 -1.337 1.00 0.00 O ATOM 0 H GLY A 70 2.966 -15.320 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.384 -16.158 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.714 -16.228 -0.651 1.00 0.00 H new ATOM 1015 N VAL A 71 -0.264 -13.993 -1.518 1.00 0.00 N ATOM 1016 CA VAL A 71 -0.774 -12.631 -1.626 1.00 0.00 C ATOM 1017 C VAL A 71 -2.086 -12.474 -0.867 1.00 0.00 C ATOM 1018 O VAL A 71 -2.713 -13.460 -0.480 1.00 0.00 O ATOM 1019 CB VAL A 71 -0.993 -12.229 -3.097 1.00 0.00 C ATOM 1020 CG1 VAL A 71 0.338 -11.942 -3.776 1.00 0.00 C ATOM 1021 CG2 VAL A 71 -1.755 -13.317 -3.839 1.00 0.00 C ATOM 0 H VAL A 71 -0.982 -14.716 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.023 -11.976 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.590 -11.318 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.163 -11.660 -4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.842 -11.126 -3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.963 -12.834 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.901 -13.016 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.186 -14.246 -3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.725 -13.469 -3.366 1.00 0.00 H new ATOM 1031 N GLN A 72 -2.497 -11.227 -0.658 1.00 0.00 N ATOM 1032 CA GLN A 72 -3.735 -10.940 0.055 1.00 0.00 C ATOM 1033 C GLN A 72 -4.414 -9.696 -0.510 1.00 0.00 C ATOM 1034 O GLN A 72 -3.842 -8.607 -0.499 1.00 0.00 O ATOM 1035 CB GLN A 72 -3.457 -10.751 1.548 1.00 0.00 C ATOM 1036 CG GLN A 72 -4.679 -10.325 2.345 1.00 0.00 C ATOM 1037 CD GLN A 72 -5.829 -11.305 2.220 1.00 0.00 C ATOM 1038 OE1 GLN A 72 -5.632 -12.470 1.875 1.00 0.00 O ATOM 1039 NE2 GLN A 72 -7.040 -10.836 2.500 1.00 0.00 N ATOM 0 H GLN A 72 -1.990 -10.400 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.406 -11.789 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.073 -11.685 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.674 -10.003 1.671 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.406 -10.224 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.006 -9.342 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.157 -9.863 2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.852 -11.449 2.433 1.00 0.00 H new ATOM 1048 N ALA A 73 -5.636 -9.867 -1.003 1.00 0.00 N ATOM 1049 CA ALA A 73 -6.392 -8.758 -1.570 1.00 0.00 C ATOM 1050 C ALA A 73 -6.991 -7.884 -0.474 1.00 0.00 C ATOM 1051 O ALA A 73 -7.643 -8.382 0.444 1.00 0.00 O ATOM 1052 CB ALA A 73 -7.488 -9.281 -2.488 1.00 0.00 C ATOM 0 H ALA A 73 -6.123 -10.763 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.706 -8.144 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.045 -8.442 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.040 -9.857 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.165 -9.919 -1.920 1.00 0.00 H new ATOM 1058 N ILE A 74 -6.764 -6.578 -0.575 1.00 0.00 N ATOM 1059 CA ILE A 74 -7.281 -5.635 0.409 1.00 0.00 C ATOM 1060 C ILE A 74 -8.416 -4.800 -0.174 1.00 0.00 C ATOM 1061 O ILE A 74 -8.367 -4.394 -1.335 1.00 0.00 O ATOM 1062 CB ILE A 74 -6.176 -4.693 0.920 1.00 0.00 C ATOM 1063 CG1 ILE A 74 -4.992 -5.502 1.456 1.00 0.00 C ATOM 1064 CG2 ILE A 74 -6.724 -3.769 1.998 1.00 0.00 C ATOM 1065 CD1 ILE A 74 -5.257 -6.142 2.800 1.00 0.00 C ATOM 0 H ILE A 74 -6.226 -6.149 -1.328 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.659 -6.225 1.244 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.827 -4.082 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.738 -6.280 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.124 -4.849 1.539 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.931 -3.109 2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.537 -3.172 1.586 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -7.097 -4.364 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.376 -6.699 3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.481 -5.368 3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.105 -6.821 2.719 1.00 0.00 H new ATOM 1077 N GLN A 75 -9.436 -4.547 0.640 1.00 0.00 N ATOM 1078 CA GLN A 75 -10.583 -3.759 0.204 1.00 0.00 C ATOM 1079 C GLN A 75 -10.547 -2.363 0.816 1.00 0.00 C ATOM 1080 O GLN A 75 -10.539 -2.210 2.038 1.00 0.00 O ATOM 1081 CB GLN A 75 -11.886 -4.463 0.586 1.00 0.00 C ATOM 1082 CG GLN A 75 -12.135 -5.746 -0.191 1.00 0.00 C ATOM 1083 CD GLN A 75 -12.256 -5.509 -1.684 1.00 0.00 C ATOM 1084 OE1 GLN A 75 -12.355 -4.369 -2.137 1.00 0.00 O ATOM 1085 NE2 GLN A 75 -12.249 -6.589 -2.457 1.00 0.00 N ATOM 0 H GLN A 75 -9.492 -4.876 1.604 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.535 -3.662 -0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.867 -4.691 1.652 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.720 -3.781 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.320 -6.445 -0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.048 -6.216 0.174 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -12.165 -7.515 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -12.328 -6.492 -3.469 1.00 0.00 H new ATOM 1094 N ILE A 76 -10.526 -1.347 -0.041 1.00 0.00 N ATOM 1095 CA ILE A 76 -10.492 0.036 0.416 1.00 0.00 C ATOM 1096 C ILE A 76 -11.647 0.838 -0.174 1.00 0.00 C ATOM 1097 O ILE A 76 -11.870 0.826 -1.385 1.00 0.00 O ATOM 1098 CB ILE A 76 -9.163 0.720 0.042 1.00 0.00 C ATOM 1099 CG1 ILE A 76 -7.984 -0.040 0.652 1.00 0.00 C ATOM 1100 CG2 ILE A 76 -9.164 2.169 0.508 1.00 0.00 C ATOM 1101 CD1 ILE A 76 -6.664 0.242 -0.031 1.00 0.00 C ATOM 0 H ILE A 76 -10.532 -1.456 -1.055 1.00 0.00 H new ATOM 0 HA ILE A 76 -10.586 0.012 1.502 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.057 0.707 -1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.901 0.221 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.188 -1.110 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.219 2.639 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.985 2.704 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.289 2.203 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.874 -0.331 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.729 -0.046 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.437 1.306 0.040 1.00 0.00 H new ATOM 1113 N SER A 77 -12.377 1.537 0.689 1.00 0.00 N ATOM 1114 CA SER A 77 -13.511 2.344 0.254 1.00 0.00 C ATOM 1115 C SER A 77 -13.407 3.765 0.798 1.00 0.00 C ATOM 1116 O SER A 77 -13.565 3.997 1.997 1.00 0.00 O ATOM 1117 CB SER A 77 -14.824 1.706 0.712 1.00 0.00 C ATOM 1118 OG SER A 77 -15.900 2.100 -0.121 1.00 0.00 O ATOM 0 H SER A 77 -12.203 1.561 1.694 1.00 0.00 H new ATOM 0 HA SER A 77 -13.497 2.388 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.728 0.620 0.699 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.033 1.995 1.742 1.00 0.00 H new ATOM 0 HG SER A 77 -16.727 1.678 0.191 1.00 0.00 H new ATOM 1124 N PHE A 78 -13.138 4.715 -0.092 1.00 0.00 N ATOM 1125 CA PHE A 78 -13.011 6.114 0.297 1.00 0.00 C ATOM 1126 C PHE A 78 -14.231 6.915 -0.148 1.00 0.00 C ATOM 1127 O PHE A 78 -14.640 6.851 -1.307 1.00 0.00 O ATOM 1128 CB PHE A 78 -11.742 6.720 -0.305 1.00 0.00 C ATOM 1129 CG PHE A 78 -11.707 8.220 -0.245 1.00 0.00 C ATOM 1130 CD1 PHE A 78 -11.946 8.885 0.946 1.00 0.00 C ATOM 1131 CD2 PHE A 78 -11.435 8.966 -1.381 1.00 0.00 C ATOM 1132 CE1 PHE A 78 -11.914 10.266 1.005 1.00 0.00 C ATOM 1133 CE2 PHE A 78 -11.401 10.346 -1.329 1.00 0.00 C ATOM 1134 CZ PHE A 78 -11.643 10.997 -0.135 1.00 0.00 C ATOM 0 H PHE A 78 -13.004 4.541 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 78 -12.946 6.158 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.874 6.323 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -11.656 6.404 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.160 8.318 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -11.247 8.462 -2.318 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -12.101 10.772 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -11.185 10.915 -2.221 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.620 12.076 -0.093 1.00 0.00 H new ATOM 1144 N SER A 79 -14.808 7.669 0.782 1.00 0.00 N ATOM 1145 CA SER A 79 -15.984 8.480 0.488 1.00 0.00 C ATOM 1146 C SER A 79 -16.093 9.651 1.460 1.00 0.00 C ATOM 1147 O SER A 79 -16.329 9.462 2.653 1.00 0.00 O ATOM 1148 CB SER A 79 -17.250 7.625 0.558 1.00 0.00 C ATOM 1149 OG SER A 79 -18.373 8.405 0.928 1.00 0.00 O ATOM 0 H SER A 79 -14.480 7.735 1.746 1.00 0.00 H new ATOM 0 HA SER A 79 -15.878 8.877 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 79 -17.431 7.158 -0.410 1.00 0.00 H new ATOM 0 HB3 SER A 79 -17.109 6.820 1.279 1.00 0.00 H new ATOM 0 HG SER A 79 -19.170 7.835 0.964 1.00 0.00 H new ATOM 1155 N SER A 80 -15.920 10.862 0.940 1.00 0.00 N ATOM 1156 CA SER A 80 -15.995 12.065 1.761 1.00 0.00 C ATOM 1157 C SER A 80 -16.684 13.196 1.005 1.00 0.00 C ATOM 1158 O SER A 80 -16.741 13.191 -0.225 1.00 0.00 O ATOM 1159 CB SER A 80 -14.593 12.503 2.191 1.00 0.00 C ATOM 1160 OG SER A 80 -14.656 13.495 3.200 1.00 0.00 O ATOM 0 H SER A 80 -15.727 11.036 -0.046 1.00 0.00 H new ATOM 0 HA SER A 80 -16.584 11.833 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.036 11.641 2.558 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.049 12.890 1.329 1.00 0.00 H new ATOM 0 HG SER A 80 -14.435 13.094 4.067 1.00 0.00 H new ATOM 1166 N ILE A 81 -17.207 14.165 1.750 1.00 0.00 N ATOM 1167 CA ILE A 81 -17.892 15.304 1.151 1.00 0.00 C ATOM 1168 C ILE A 81 -17.086 16.586 1.330 1.00 0.00 C ATOM 1169 O ILE A 81 -17.640 17.685 1.320 1.00 0.00 O ATOM 1170 CB ILE A 81 -19.292 15.502 1.759 1.00 0.00 C ATOM 1171 CG1 ILE A 81 -19.314 15.021 3.212 1.00 0.00 C ATOM 1172 CG2 ILE A 81 -20.337 14.764 0.935 1.00 0.00 C ATOM 1173 CD1 ILE A 81 -20.468 15.579 4.016 1.00 0.00 C ATOM 0 H ILE A 81 -17.169 14.184 2.769 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.994 15.087 0.088 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.531 16.565 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -19.366 13.932 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -18.377 15.302 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.322 14.914 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.335 15.150 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.104 13.699 0.921 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.420 15.196 5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -20.406 16.667 4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -21.410 15.277 3.559 1.00 0.00 H new ATOM 1185 N ILE A 82 -15.775 16.437 1.492 1.00 0.00 N ATOM 1186 CA ILE A 82 -14.893 17.583 1.671 1.00 0.00 C ATOM 1187 C ILE A 82 -14.031 17.810 0.434 1.00 0.00 C ATOM 1188 O ILE A 82 -12.910 17.307 0.343 1.00 0.00 O ATOM 1189 CB ILE A 82 -13.977 17.403 2.895 1.00 0.00 C ATOM 1190 CG1 ILE A 82 -14.803 17.410 4.183 1.00 0.00 C ATOM 1191 CG2 ILE A 82 -12.921 18.498 2.932 1.00 0.00 C ATOM 1192 CD1 ILE A 82 -14.178 16.612 5.306 1.00 0.00 C ATOM 0 H ILE A 82 -15.301 15.534 1.503 1.00 0.00 H new ATOM 0 HA ILE A 82 -15.532 18.451 1.831 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.472 16.440 2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -14.939 18.440 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -15.794 17.009 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.281 18.357 3.803 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -12.316 18.451 2.026 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.408 19.471 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -14.818 16.661 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -14.067 15.573 4.996 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -13.198 17.026 5.545 1.00 0.00 H new ATOM 1204 N LEU A 83 -14.559 18.574 -0.517 1.00 0.00 N ATOM 1205 CA LEU A 83 -13.837 18.871 -1.749 1.00 0.00 C ATOM 1206 C LEU A 83 -12.434 19.388 -1.447 1.00 0.00 C ATOM 1207 O LEU A 83 -12.192 19.979 -0.396 1.00 0.00 O ATOM 1208 CB LEU A 83 -14.605 19.901 -2.578 1.00 0.00 C ATOM 1209 CG LEU A 83 -15.980 19.464 -3.085 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -16.586 20.538 -3.976 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -15.877 18.143 -3.834 1.00 0.00 C ATOM 0 H LEU A 83 -15.484 18.999 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 83 -13.748 17.947 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -14.731 20.801 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.993 20.175 -3.437 1.00 0.00 H new ATOM 0 HG LEU A 83 -16.635 19.321 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.564 20.210 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.696 21.462 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -15.933 20.713 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -16.865 17.847 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -15.206 18.259 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -15.486 17.376 -3.166 1.00 0.00 H new ATOM 1223 N GLY A 84 -11.512 19.162 -2.379 1.00 0.00 N ATOM 1224 CA GLY A 84 -10.145 19.614 -2.194 1.00 0.00 C ATOM 1225 C GLY A 84 -9.177 18.465 -1.997 1.00 0.00 C ATOM 1226 O GLY A 84 -9.471 17.513 -1.275 1.00 0.00 O ATOM 0 H GLY A 84 -11.687 18.675 -3.258 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.838 20.199 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.098 20.277 -1.330 1.00 0.00 H new ATOM 1230 N ASN A 85 -8.018 18.552 -2.642 1.00 0.00 N ATOM 1231 CA ASN A 85 -7.004 17.510 -2.536 1.00 0.00 C ATOM 1232 C ASN A 85 -6.862 17.034 -1.094 1.00 0.00 C ATOM 1233 O ASN A 85 -7.214 17.748 -0.155 1.00 0.00 O ATOM 1234 CB ASN A 85 -5.657 18.026 -3.049 1.00 0.00 C ATOM 1235 CG ASN A 85 -5.278 19.360 -2.437 1.00 0.00 C ATOM 1236 OD1 ASN A 85 -4.588 19.416 -1.419 1.00 0.00 O ATOM 1237 ND2 ASN A 85 -5.730 20.445 -3.056 1.00 0.00 N ATOM 0 H ASN A 85 -7.758 19.334 -3.244 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.320 16.666 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.881 17.293 -2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.698 18.126 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -5.508 21.371 -2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.299 20.352 -3.897 1.00 0.00 H new ATOM 1244 N PHE A 86 -6.344 15.822 -0.925 1.00 0.00 N ATOM 1245 CA PHE A 86 -6.156 15.249 0.403 1.00 0.00 C ATOM 1246 C PHE A 86 -4.985 14.271 0.413 1.00 0.00 C ATOM 1247 O PHE A 86 -4.914 13.364 -0.416 1.00 0.00 O ATOM 1248 CB PHE A 86 -7.432 14.538 0.861 1.00 0.00 C ATOM 1249 CG PHE A 86 -7.725 13.280 0.094 1.00 0.00 C ATOM 1250 CD1 PHE A 86 -7.124 12.083 0.446 1.00 0.00 C ATOM 1251 CD2 PHE A 86 -8.604 13.295 -0.977 1.00 0.00 C ATOM 1252 CE1 PHE A 86 -7.392 10.924 -0.258 1.00 0.00 C ATOM 1253 CE2 PHE A 86 -8.876 12.140 -1.685 1.00 0.00 C ATOM 1254 CZ PHE A 86 -8.270 10.952 -1.324 1.00 0.00 C ATOM 0 H PHE A 86 -6.047 15.218 -1.691 1.00 0.00 H new ATOM 0 HA PHE A 86 -5.933 16.063 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -7.344 14.296 1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -8.275 15.221 0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -6.438 12.055 1.280 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.082 14.221 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.915 9.997 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -9.561 12.166 -2.519 1.00 0.00 H new ATOM 0 HZ PHE A 86 -8.482 10.047 -1.874 1.00 0.00 H new ATOM 1264 N GLU A 87 -4.068 14.463 1.356 1.00 0.00 N ATOM 1265 CA GLU A 87 -2.900 13.599 1.473 1.00 0.00 C ATOM 1266 C GLU A 87 -2.918 12.833 2.792 1.00 0.00 C ATOM 1267 O GLU A 87 -2.554 13.370 3.838 1.00 0.00 O ATOM 1268 CB GLU A 87 -1.615 14.424 1.367 1.00 0.00 C ATOM 1269 CG GLU A 87 -0.358 13.580 1.240 1.00 0.00 C ATOM 1270 CD GLU A 87 0.890 14.418 1.041 1.00 0.00 C ATOM 1271 OE1 GLU A 87 1.085 14.934 -0.079 1.00 0.00 O ATOM 1272 OE2 GLU A 87 1.671 14.557 2.005 1.00 0.00 O ATOM 0 H GLU A 87 -4.112 15.209 2.050 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.930 12.879 0.655 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.688 15.085 0.503 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.528 15.060 2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.242 12.970 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.469 12.894 0.400 1.00 0.00 H new ATOM 1279 N GLU A 88 -3.346 11.576 2.734 1.00 0.00 N ATOM 1280 CA GLU A 88 -3.414 10.737 3.925 1.00 0.00 C ATOM 1281 C GLU A 88 -2.631 9.443 3.724 1.00 0.00 C ATOM 1282 O GLU A 88 -2.556 8.917 2.614 1.00 0.00 O ATOM 1283 CB GLU A 88 -4.870 10.416 4.268 1.00 0.00 C ATOM 1284 CG GLU A 88 -5.654 11.615 4.774 1.00 0.00 C ATOM 1285 CD GLU A 88 -5.102 12.167 6.074 1.00 0.00 C ATOM 1286 OE1 GLU A 88 -4.216 13.045 6.018 1.00 0.00 O ATOM 1287 OE2 GLU A 88 -5.557 11.720 7.148 1.00 0.00 O ATOM 0 H GLU A 88 -3.651 11.116 1.876 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.966 11.288 4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.364 10.017 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.892 9.632 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.641 12.399 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.696 11.328 4.919 1.00 0.00 H new ATOM 1294 N GLU A 89 -2.049 8.936 4.807 1.00 0.00 N ATOM 1295 CA GLU A 89 -1.270 7.705 4.749 1.00 0.00 C ATOM 1296 C GLU A 89 -1.703 6.735 5.844 1.00 0.00 C ATOM 1297 O GLU A 89 -2.132 7.149 6.922 1.00 0.00 O ATOM 1298 CB GLU A 89 0.223 8.012 4.886 1.00 0.00 C ATOM 1299 CG GLU A 89 0.525 9.141 5.857 1.00 0.00 C ATOM 1300 CD GLU A 89 1.877 9.779 5.607 1.00 0.00 C ATOM 1301 OE1 GLU A 89 2.607 9.296 4.716 1.00 0.00 O ATOM 1302 OE2 GLU A 89 2.206 10.764 6.302 1.00 0.00 O ATOM 0 H GLU A 89 -2.102 9.359 5.734 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.450 7.237 3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.742 7.112 5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.624 8.270 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.252 9.901 5.777 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.492 8.757 6.877 1.00 0.00 H new ATOM 1309 N PHE A 90 -1.589 5.442 5.561 1.00 0.00 N ATOM 1310 CA PHE A 90 -1.970 4.412 6.520 1.00 0.00 C ATOM 1311 C PHE A 90 -0.763 3.569 6.922 1.00 0.00 C ATOM 1312 O PHE A 90 0.255 3.552 6.228 1.00 0.00 O ATOM 1313 CB PHE A 90 -3.060 3.514 5.931 1.00 0.00 C ATOM 1314 CG PHE A 90 -4.314 4.255 5.566 1.00 0.00 C ATOM 1315 CD1 PHE A 90 -4.358 5.055 4.435 1.00 0.00 C ATOM 1316 CD2 PHE A 90 -5.450 4.151 6.353 1.00 0.00 C ATOM 1317 CE1 PHE A 90 -5.510 5.738 4.096 1.00 0.00 C ATOM 1318 CE2 PHE A 90 -6.606 4.831 6.018 1.00 0.00 C ATOM 1319 CZ PHE A 90 -6.636 5.627 4.889 1.00 0.00 C ATOM 0 H PHE A 90 -1.235 5.082 4.674 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.358 4.906 7.410 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.670 3.017 5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.305 2.734 6.651 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.481 5.146 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.432 3.532 7.238 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.530 6.358 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -7.485 4.740 6.638 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.537 6.161 4.627 1.00 0.00 H new ATOM 1329 N LEU A 91 -0.884 2.872 8.046 1.00 0.00 N ATOM 1330 CA LEU A 91 0.197 2.027 8.542 1.00 0.00 C ATOM 1331 C LEU A 91 -0.291 0.600 8.775 1.00 0.00 C ATOM 1332 O LEU A 91 -1.472 0.372 9.034 1.00 0.00 O ATOM 1333 CB LEU A 91 0.767 2.602 9.839 1.00 0.00 C ATOM 1334 CG LEU A 91 1.435 3.973 9.730 1.00 0.00 C ATOM 1335 CD1 LEU A 91 2.117 4.341 11.038 1.00 0.00 C ATOM 1336 CD2 LEU A 91 2.434 3.989 8.582 1.00 0.00 C ATOM 0 H LEU A 91 -1.719 2.875 8.631 1.00 0.00 H new ATOM 0 HA LEU A 91 0.983 2.004 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.040 2.671 10.568 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.496 1.896 10.236 1.00 0.00 H new ATOM 0 HG LEU A 91 0.664 4.716 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.587 5.320 10.941 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.377 4.371 11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.877 3.596 11.274 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.900 4.972 8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.201 3.234 8.757 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.917 3.772 7.647 1.00 0.00 H new ATOM 1348 N VAL A 92 0.628 -0.356 8.684 1.00 0.00 N ATOM 1349 CA VAL A 92 0.292 -1.760 8.888 1.00 0.00 C ATOM 1350 C VAL A 92 1.228 -2.406 9.904 1.00 0.00 C ATOM 1351 O VAL A 92 2.353 -2.780 9.577 1.00 0.00 O ATOM 1352 CB VAL A 92 0.361 -2.552 7.569 1.00 0.00 C ATOM 1353 CG1 VAL A 92 0.055 -4.022 7.811 1.00 0.00 C ATOM 1354 CG2 VAL A 92 -0.597 -1.962 6.544 1.00 0.00 C ATOM 0 H VAL A 92 1.610 -0.184 8.470 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.729 -1.789 9.267 1.00 0.00 H new ATOM 0 HB VAL A 92 1.374 -2.477 7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.109 -4.565 6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.783 -4.435 8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.946 -4.121 8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.536 -2.533 5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.615 -2.005 6.930 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.327 -0.924 6.349 1.00 0.00 H new ATOM 1364 N ASN A 93 0.753 -2.535 11.139 1.00 0.00 N ATOM 1365 CA ASN A 93 1.547 -3.136 12.204 1.00 0.00 C ATOM 1366 C ASN A 93 1.699 -4.639 11.988 1.00 0.00 C ATOM 1367 O ASN A 93 0.715 -5.351 11.791 1.00 0.00 O ATOM 1368 CB ASN A 93 0.899 -2.869 13.565 1.00 0.00 C ATOM 1369 CG ASN A 93 0.175 -1.537 13.608 1.00 0.00 C ATOM 1370 OD1 ASN A 93 0.796 -0.477 13.530 1.00 0.00 O ATOM 1371 ND2 ASN A 93 -1.146 -1.587 13.734 1.00 0.00 N ATOM 0 H ASN A 93 -0.177 -2.231 11.426 1.00 0.00 H new ATOM 0 HA ASN A 93 2.538 -2.682 12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.195 -3.670 13.793 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.666 -2.888 14.340 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.688 -0.724 13.770 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.619 -2.489 13.795 1.00 0.00 H new ATOM 1378 N VAL A 94 2.940 -5.114 12.026 1.00 0.00 N ATOM 1379 CA VAL A 94 3.222 -6.532 11.835 1.00 0.00 C ATOM 1380 C VAL A 94 4.045 -7.088 12.992 1.00 0.00 C ATOM 1381 O VAL A 94 5.033 -6.486 13.410 1.00 0.00 O ATOM 1382 CB VAL A 94 3.976 -6.781 10.516 1.00 0.00 C ATOM 1383 CG1 VAL A 94 4.261 -8.265 10.336 1.00 0.00 C ATOM 1384 CG2 VAL A 94 3.184 -6.236 9.338 1.00 0.00 C ATOM 0 H VAL A 94 3.766 -4.538 12.187 1.00 0.00 H new ATOM 0 HA VAL A 94 2.261 -7.045 11.797 1.00 0.00 H new ATOM 0 HB VAL A 94 4.929 -6.254 10.558 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.794 -8.422 9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.872 -8.621 11.165 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.321 -8.816 10.315 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.732 -6.421 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.215 -6.732 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 94 3.036 -5.163 9.464 1.00 0.00 H new ATOM 1394 N ASN A 95 3.631 -8.243 13.504 1.00 0.00 N ATOM 1395 CA ASN A 95 4.330 -8.882 14.613 1.00 0.00 C ATOM 1396 C ASN A 95 5.811 -9.060 14.292 1.00 0.00 C ATOM 1397 O ASN A 95 6.171 -9.539 13.217 1.00 0.00 O ATOM 1398 CB ASN A 95 3.698 -10.239 14.927 1.00 0.00 C ATOM 1399 CG ASN A 95 4.617 -11.131 15.738 1.00 0.00 C ATOM 1400 OD1 ASN A 95 4.683 -11.024 16.963 1.00 0.00 O ATOM 1401 ND2 ASN A 95 5.334 -12.018 15.057 1.00 0.00 N ATOM 0 H ASN A 95 2.815 -8.755 13.169 1.00 0.00 H new ATOM 0 HA ASN A 95 4.241 -8.236 15.487 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.768 -10.086 15.475 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.439 -10.741 13.995 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.971 -12.645 15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.248 -12.072 14.042 1.00 0.00 H new ATOM 1408 N GLY A 96 6.666 -8.671 15.233 1.00 0.00 N ATOM 1409 CA GLY A 96 8.097 -8.796 15.032 1.00 0.00 C ATOM 1410 C GLY A 96 8.659 -7.690 14.160 1.00 0.00 C ATOM 1411 O GLY A 96 9.599 -6.998 14.552 1.00 0.00 O ATOM 0 H GLY A 96 6.393 -8.272 16.131 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.599 -8.782 15.999 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.314 -9.761 14.574 1.00 0.00 H new ATOM 1415 N SER A 97 8.084 -7.524 12.974 1.00 0.00 N ATOM 1416 CA SER A 97 8.536 -6.498 12.041 1.00 0.00 C ATOM 1417 C SER A 97 8.984 -5.245 12.788 1.00 0.00 C ATOM 1418 O SER A 97 8.380 -4.833 13.778 1.00 0.00 O ATOM 1419 CB SER A 97 7.421 -6.147 11.055 1.00 0.00 C ATOM 1420 OG SER A 97 7.839 -5.141 10.149 1.00 0.00 O ATOM 0 H SER A 97 7.304 -8.087 12.636 1.00 0.00 H new ATOM 0 HA SER A 97 9.387 -6.895 11.488 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.126 -7.039 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 97 6.542 -5.806 11.602 1.00 0.00 H new ATOM 0 HG SER A 97 7.343 -4.314 10.326 1.00 0.00 H new ATOM 1426 N PRO A 98 10.069 -4.624 12.302 1.00 0.00 N ATOM 1427 CA PRO A 98 10.622 -3.409 12.906 1.00 0.00 C ATOM 1428 C PRO A 98 9.718 -2.197 12.705 1.00 0.00 C ATOM 1429 O PRO A 98 9.473 -1.433 13.638 1.00 0.00 O ATOM 1430 CB PRO A 98 11.948 -3.216 12.165 1.00 0.00 C ATOM 1431 CG PRO A 98 11.751 -3.896 10.854 1.00 0.00 C ATOM 1432 CD PRO A 98 10.838 -5.060 11.124 1.00 0.00 C ATOM 0 HA PRO A 98 10.731 -3.505 13.986 1.00 0.00 H new ATOM 0 HB2 PRO A 98 12.177 -2.159 12.032 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.778 -3.655 12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 98 11.311 -3.216 10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.702 -4.233 10.443 1.00 0.00 H new ATOM 0 HD2 PRO A 98 10.188 -5.267 10.274 1.00 0.00 H new ATOM 0 HD3 PRO A 98 11.399 -5.973 11.326 1.00 0.00 H new ATOM 1440 N GLU A 99 9.225 -2.029 11.482 1.00 0.00 N ATOM 1441 CA GLU A 99 8.348 -0.910 11.160 1.00 0.00 C ATOM 1442 C GLU A 99 7.181 -1.366 10.288 1.00 0.00 C ATOM 1443 O GLU A 99 7.304 -2.278 9.470 1.00 0.00 O ATOM 1444 CB GLU A 99 9.132 0.192 10.445 1.00 0.00 C ATOM 1445 CG GLU A 99 9.819 1.162 11.392 1.00 0.00 C ATOM 1446 CD GLU A 99 8.835 2.027 12.156 1.00 0.00 C ATOM 1447 OE1 GLU A 99 8.349 3.024 11.582 1.00 0.00 O ATOM 1448 OE2 GLU A 99 8.550 1.706 13.329 1.00 0.00 O ATOM 0 H GLU A 99 9.418 -2.653 10.699 1.00 0.00 H new ATOM 0 HA GLU A 99 7.949 -0.515 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 99 9.882 -0.267 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 99 8.453 0.748 9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 99 10.430 0.602 12.100 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.495 1.802 10.824 1.00 0.00 H new ATOM 1455 N PRO A 100 6.021 -0.718 10.467 1.00 0.00 N ATOM 1456 CA PRO A 100 4.809 -1.039 9.707 1.00 0.00 C ATOM 1457 C PRO A 100 4.921 -0.636 8.240 1.00 0.00 C ATOM 1458 O PRO A 100 5.748 0.201 7.877 1.00 0.00 O ATOM 1459 CB PRO A 100 3.724 -0.216 10.405 1.00 0.00 C ATOM 1460 CG PRO A 100 4.454 0.920 11.033 1.00 0.00 C ATOM 1461 CD PRO A 100 5.802 0.380 11.424 1.00 0.00 C ATOM 0 HA PRO A 100 4.609 -2.110 9.694 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.977 0.138 9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.197 -0.809 11.152 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.554 1.752 10.336 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.917 1.296 11.904 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.578 1.142 11.346 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.808 0.023 12.454 1.00 0.00 H new ATOM 1469 N VAL A 101 4.084 -1.237 7.401 1.00 0.00 N ATOM 1470 CA VAL A 101 4.088 -0.940 5.973 1.00 0.00 C ATOM 1471 C VAL A 101 3.279 0.316 5.671 1.00 0.00 C ATOM 1472 O VAL A 101 2.067 0.253 5.465 1.00 0.00 O ATOM 1473 CB VAL A 101 3.519 -2.113 5.154 1.00 0.00 C ATOM 1474 CG1 VAL A 101 3.346 -1.713 3.697 1.00 0.00 C ATOM 1475 CG2 VAL A 101 4.419 -3.334 5.276 1.00 0.00 C ATOM 0 H VAL A 101 3.394 -1.933 7.685 1.00 0.00 H new ATOM 0 HA VAL A 101 5.127 -0.777 5.687 1.00 0.00 H new ATOM 0 HB VAL A 101 2.538 -2.371 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.943 -2.555 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.659 -0.870 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.312 -1.428 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.002 -4.154 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.414 -3.091 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.487 -3.633 6.322 1.00 0.00 H new ATOM 1485 N LYS A 102 3.957 1.459 5.646 1.00 0.00 N ATOM 1486 CA LYS A 102 3.303 2.731 5.367 1.00 0.00 C ATOM 1487 C LYS A 102 2.735 2.752 3.951 1.00 0.00 C ATOM 1488 O LYS A 102 3.331 2.204 3.024 1.00 0.00 O ATOM 1489 CB LYS A 102 4.291 3.886 5.548 1.00 0.00 C ATOM 1490 CG LYS A 102 3.695 5.250 5.242 1.00 0.00 C ATOM 1491 CD LYS A 102 4.683 6.368 5.532 1.00 0.00 C ATOM 1492 CE LYS A 102 4.775 6.656 7.023 1.00 0.00 C ATOM 1493 NZ LYS A 102 5.788 5.795 7.693 1.00 0.00 N ATOM 0 H LYS A 102 4.960 1.530 5.816 1.00 0.00 H new ATOM 0 HA LYS A 102 2.480 2.850 6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.658 3.881 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.152 3.721 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.395 5.291 4.195 1.00 0.00 H new ATOM 0 HG3 LYS A 102 2.794 5.396 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.667 6.094 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.378 7.271 5.004 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.032 7.704 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.800 6.496 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.314 5.162 8.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.288 5.227 6.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.471 6.393 8.200 1.00 0.00 H new ATOM 1507 N LEU A 103 1.580 3.390 3.792 1.00 0.00 N ATOM 1508 CA LEU A 103 0.932 3.484 2.489 1.00 0.00 C ATOM 1509 C LEU A 103 0.327 4.869 2.280 1.00 0.00 C ATOM 1510 O LEU A 103 -0.623 5.253 2.963 1.00 0.00 O ATOM 1511 CB LEU A 103 -0.155 2.415 2.359 1.00 0.00 C ATOM 1512 CG LEU A 103 -0.897 2.370 1.023 1.00 0.00 C ATOM 1513 CD1 LEU A 103 0.041 1.938 -0.094 1.00 0.00 C ATOM 1514 CD2 LEU A 103 -2.094 1.435 1.109 1.00 0.00 C ATOM 0 H LEU A 103 1.074 3.849 4.549 1.00 0.00 H new ATOM 0 HA LEU A 103 1.689 3.319 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.300 1.440 2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.886 2.571 3.152 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.260 3.372 0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.504 1.912 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 103 0.866 2.647 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.435 0.946 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.610 1.415 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.754 0.430 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.777 1.789 1.881 1.00 0.00 H new ATOM 1526 N THR A 104 0.882 5.614 1.329 1.00 0.00 N ATOM 1527 CA THR A 104 0.397 6.955 1.029 1.00 0.00 C ATOM 1528 C THR A 104 -0.604 6.934 -0.120 1.00 0.00 C ATOM 1529 O THR A 104 -0.302 6.445 -1.209 1.00 0.00 O ATOM 1530 CB THR A 104 1.556 7.904 0.668 1.00 0.00 C ATOM 1531 OG1 THR A 104 2.667 7.674 1.542 1.00 0.00 O ATOM 1532 CG2 THR A 104 1.117 9.357 0.769 1.00 0.00 C ATOM 0 H THR A 104 1.668 5.311 0.753 1.00 0.00 H new ATOM 0 HA THR A 104 -0.096 7.321 1.930 1.00 0.00 H new ATOM 0 HB THR A 104 1.855 7.702 -0.361 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.400 8.280 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.952 10.008 0.510 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.290 9.536 0.082 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.794 9.570 1.788 1.00 0.00 H new ATOM 1540 N ILE A 105 -1.795 7.467 0.129 1.00 0.00 N ATOM 1541 CA ILE A 105 -2.840 7.510 -0.887 1.00 0.00 C ATOM 1542 C ILE A 105 -3.154 8.946 -1.292 1.00 0.00 C ATOM 1543 O ILE A 105 -3.635 9.739 -0.482 1.00 0.00 O ATOM 1544 CB ILE A 105 -4.133 6.833 -0.394 1.00 0.00 C ATOM 1545 CG1 ILE A 105 -3.837 5.413 0.093 1.00 0.00 C ATOM 1546 CG2 ILE A 105 -5.175 6.812 -1.502 1.00 0.00 C ATOM 1547 CD1 ILE A 105 -5.015 4.749 0.770 1.00 0.00 C ATOM 0 H ILE A 105 -2.061 7.875 1.025 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.462 6.965 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.531 7.408 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.525 4.804 -0.756 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.998 5.443 0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.083 6.331 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -5.403 7.833 -1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.787 6.257 -2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.733 3.746 1.089 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.314 5.336 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.849 4.686 0.071 1.00 0.00 H new ATOM 1559 N ARG A 106 -2.879 9.274 -2.550 1.00 0.00 N ATOM 1560 CA ARG A 106 -3.133 10.614 -3.063 1.00 0.00 C ATOM 1561 C ARG A 106 -4.372 10.630 -3.954 1.00 0.00 C ATOM 1562 O ARG A 106 -4.651 9.666 -4.665 1.00 0.00 O ATOM 1563 CB ARG A 106 -1.922 11.121 -3.848 1.00 0.00 C ATOM 1564 CG ARG A 106 -1.825 10.551 -5.254 1.00 0.00 C ATOM 1565 CD ARG A 106 -0.850 11.343 -6.111 1.00 0.00 C ATOM 1566 NE ARG A 106 -1.257 12.737 -6.257 1.00 0.00 N ATOM 1567 CZ ARG A 106 -0.559 13.640 -6.937 1.00 0.00 C ATOM 1568 NH1 ARG A 106 0.576 13.295 -7.530 1.00 0.00 N ATOM 1569 NH2 ARG A 106 -0.995 14.890 -7.025 1.00 0.00 N ATOM 0 H ARG A 106 -2.480 8.630 -3.233 1.00 0.00 H new ATOM 0 HA ARG A 106 -3.309 11.273 -2.213 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.968 12.208 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -1.014 10.870 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.505 9.510 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.810 10.560 -5.720 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.143 11.300 -5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.776 10.882 -7.096 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.125 13.034 -5.812 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.914 12.335 -7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.111 13.990 -8.052 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.867 15.159 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -0.458 15.582 -7.547 1.00 0.00 H new ATOM 1583 N GLY A 107 -5.114 11.733 -3.908 1.00 0.00 N ATOM 1584 CA GLY A 107 -6.314 11.854 -4.714 1.00 0.00 C ATOM 1585 C GLY A 107 -6.898 13.252 -4.679 1.00 0.00 C ATOM 1586 O GLY A 107 -6.353 14.144 -4.027 1.00 0.00 O ATOM 0 H GLY A 107 -4.905 12.545 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.084 11.586 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.060 11.143 -4.358 1.00 0.00 H new ATOM 1590 N CYS A 108 -8.007 13.446 -5.383 1.00 0.00 N ATOM 1591 CA CYS A 108 -8.664 14.748 -5.432 1.00 0.00 C ATOM 1592 C CYS A 108 -10.179 14.590 -5.523 1.00 0.00 C ATOM 1593 O CYS A 108 -10.692 13.939 -6.433 1.00 0.00 O ATOM 1594 CB CYS A 108 -8.152 15.556 -6.625 1.00 0.00 C ATOM 1595 SG CYS A 108 -8.260 17.348 -6.404 1.00 0.00 S ATOM 0 H CYS A 108 -8.471 12.719 -5.928 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.427 15.282 -4.512 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -7.113 15.286 -6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -8.721 15.275 -7.511 1.00 0.00 H new ATOM 0 HG CYS A 108 -7.802 17.944 -7.464 1.00 0.00 H new ATOM 1601 N VAL A 109 -10.889 15.187 -4.571 1.00 0.00 N ATOM 1602 CA VAL A 109 -12.344 15.112 -4.542 1.00 0.00 C ATOM 1603 C VAL A 109 -12.970 16.292 -5.278 1.00 0.00 C ATOM 1604 O VAL A 109 -12.609 17.445 -5.043 1.00 0.00 O ATOM 1605 CB VAL A 109 -12.877 15.082 -3.097 1.00 0.00 C ATOM 1606 CG1 VAL A 109 -14.355 14.724 -3.080 1.00 0.00 C ATOM 1607 CG2 VAL A 109 -12.072 14.105 -2.254 1.00 0.00 C ATOM 0 H VAL A 109 -10.479 15.728 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 109 -12.622 14.185 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 109 -12.765 16.077 -2.665 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -14.714 14.708 -2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -14.916 15.466 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.496 13.741 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.462 14.096 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.150 13.105 -2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.026 14.413 -2.240 1.00 0.00 H new ATOM 1617 N ILE A 110 -13.910 15.994 -6.170 1.00 0.00 N ATOM 1618 CA ILE A 110 -14.587 17.031 -6.939 1.00 0.00 C ATOM 1619 C ILE A 110 -16.091 16.784 -6.989 1.00 0.00 C ATOM 1620 O ILE A 110 -16.570 15.722 -6.595 1.00 0.00 O ATOM 1621 CB ILE A 110 -14.043 17.109 -8.378 1.00 0.00 C ATOM 1622 CG1 ILE A 110 -14.257 15.777 -9.101 1.00 0.00 C ATOM 1623 CG2 ILE A 110 -12.568 17.481 -8.368 1.00 0.00 C ATOM 1624 CD1 ILE A 110 -13.146 14.778 -8.867 1.00 0.00 C ATOM 0 H ILE A 110 -14.219 15.044 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 110 -14.393 17.977 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 110 -14.589 17.884 -8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -15.201 15.342 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -14.347 15.964 -10.171 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -12.199 17.532 -9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.441 18.451 -7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -12.006 16.727 -7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -13.364 13.858 -9.409 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -12.203 15.193 -9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -13.070 14.562 -7.801 1.00 0.00 H new ATOM 1636 N GLY A 111 -16.832 17.775 -7.477 1.00 0.00 N ATOM 1637 CA GLY A 111 -18.274 17.645 -7.571 1.00 0.00 C ATOM 1638 C GLY A 111 -18.804 18.035 -8.937 1.00 0.00 C ATOM 1639 O GLY A 111 -18.044 18.323 -9.862 1.00 0.00 O ATOM 0 H GLY A 111 -16.459 18.665 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -18.558 16.615 -7.355 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -18.742 18.270 -6.811 1.00 0.00 H new ATOM 1643 N PRO A 112 -20.137 18.045 -9.078 1.00 0.00 N ATOM 1644 CA PRO A 112 -20.797 18.399 -10.338 1.00 0.00 C ATOM 1645 C PRO A 112 -20.652 19.880 -10.672 1.00 0.00 C ATOM 1646 O PRO A 112 -19.567 20.449 -10.558 1.00 0.00 O ATOM 1647 CB PRO A 112 -22.265 18.051 -10.080 1.00 0.00 C ATOM 1648 CG PRO A 112 -22.422 18.142 -8.601 1.00 0.00 C ATOM 1649 CD PRO A 112 -21.104 17.713 -8.018 1.00 0.00 C ATOM 0 HA PRO A 112 -20.363 17.872 -11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -22.932 18.744 -10.592 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -22.505 17.051 -10.443 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -22.671 19.159 -8.297 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -23.230 17.498 -8.254 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -20.883 18.243 -7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -21.095 16.648 -7.785 1.00 0.00 H new