USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 521 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 Single : A 12 ASN :FLIP amide:sc= -0.359 F(o=-3.4!,f=-0.36) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -149:sc= -0.654 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.41) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 163:sc= -0.496 (180deg=-0.536) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.0368 USER MOD Single : A 54 ASN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 68 MET CE :methyl -111:sc= -0.23 (180deg=-1.42) USER MOD Single : A 69 ASN : amide:sc= -1.42! C(o=-1.4!,f=-3.8!) USER MOD Single : A 71 GLN : amide:sc=-0.00206 X(o=-0.0021,f=-0.0021) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 48:sc= 0.223 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.628 8.396 1.493 1.00 0.00 N ATOM 60 CA GLY A 7 -0.868 7.188 1.753 1.00 0.00 C ATOM 61 C GLY A 7 -1.447 6.373 2.893 1.00 0.00 C ATOM 62 O GLY A 7 -2.440 6.768 3.505 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.842 6.577 0.850 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.163 7.454 1.988 1.00 0.00 H new ATOM 66 N ILE A 8 -0.828 5.233 3.177 1.00 0.00 N ATOM 67 CA ILE A 8 -1.289 4.361 4.250 1.00 0.00 C ATOM 68 C ILE A 8 -0.114 3.790 5.038 1.00 0.00 C ATOM 69 O ILE A 8 0.900 3.396 4.462 1.00 0.00 O ATOM 70 CB ILE A 8 -2.140 3.199 3.705 1.00 0.00 C ATOM 71 CG1 ILE A 8 -1.396 2.477 2.580 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.485 3.713 3.214 1.00 0.00 C ATOM 73 CD1 ILE A 8 -1.846 1.047 2.379 1.00 0.00 C ATOM 0 H ILE A 8 -0.006 4.891 2.679 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.904 4.972 4.911 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.317 2.488 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.537 3.028 1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.328 2.486 2.797 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.075 2.880 2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.017 4.186 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.328 4.441 2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -1.276 0.597 1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -1.679 0.481 3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.907 1.031 2.130 1.00 0.00 H new ATOM 85 N PHE A 9 -0.260 3.746 6.358 1.00 0.00 N ATOM 86 CA PHE A 9 0.789 3.222 7.225 1.00 0.00 C ATOM 87 C PHE A 9 0.540 1.752 7.552 1.00 0.00 C ATOM 88 O PHE A 9 -0.585 1.355 7.857 1.00 0.00 O ATOM 89 CB PHE A 9 0.866 4.037 8.518 1.00 0.00 C ATOM 90 CG PHE A 9 1.620 3.347 9.618 1.00 0.00 C ATOM 91 CD1 PHE A 9 2.900 2.862 9.401 1.00 0.00 C ATOM 92 CD2 PHE A 9 1.049 3.182 10.870 1.00 0.00 C ATOM 93 CE1 PHE A 9 3.597 2.227 10.411 1.00 0.00 C ATOM 94 CE2 PHE A 9 1.741 2.548 11.884 1.00 0.00 C ATOM 95 CZ PHE A 9 3.016 2.069 11.654 1.00 0.00 C ATOM 0 H PHE A 9 -1.094 4.067 6.850 1.00 0.00 H new ATOM 0 HA PHE A 9 1.738 3.303 6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.343 4.994 8.307 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.145 4.254 8.862 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.358 2.982 8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.052 3.553 11.055 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.594 1.855 10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.285 2.427 12.856 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.558 1.572 12.445 1.00 0.00 H new ATOM 105 N ILE A 10 1.598 0.950 7.487 1.00 0.00 N ATOM 106 CA ILE A 10 1.495 -0.475 7.776 1.00 0.00 C ATOM 107 C ILE A 10 2.602 -0.925 8.723 1.00 0.00 C ATOM 108 O ILE A 10 3.736 -0.455 8.637 1.00 0.00 O ATOM 109 CB ILE A 10 1.562 -1.317 6.489 1.00 0.00 C ATOM 110 CG1 ILE A 10 0.485 -0.864 5.501 1.00 0.00 C ATOM 111 CG2 ILE A 10 1.402 -2.795 6.814 1.00 0.00 C ATOM 112 CD1 ILE A 10 0.873 -1.061 4.052 1.00 0.00 C ATOM 0 H ILE A 10 2.536 1.263 7.237 1.00 0.00 H new ATOM 0 HA ILE A 10 0.527 -0.631 8.252 1.00 0.00 H new ATOM 0 HB ILE A 10 2.538 -1.170 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.434 -1.414 5.701 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.268 0.191 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.452 -3.377 5.894 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.201 -3.109 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.438 -2.959 7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.063 -0.718 3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.775 -0.488 3.836 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.061 -2.118 3.866 1.00 0.00 H new ATOM 124 N GLY A 11 2.266 -1.841 9.626 1.00 0.00 N ATOM 125 CA GLY A 11 3.243 -2.341 10.575 1.00 0.00 C ATOM 126 C GLY A 11 3.060 -3.816 10.872 1.00 0.00 C ATOM 127 O GLY A 11 2.021 -4.395 10.559 1.00 0.00 O ATOM 0 H GLY A 11 1.334 -2.246 9.717 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.246 -2.174 10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.167 -1.774 11.503 1.00 0.00 H new ATOM 131 N ASN A 12 4.075 -4.427 11.476 1.00 0.00 N ATOM 132 CA ASN A 12 4.022 -5.845 11.813 1.00 0.00 C ATOM 133 C ASN A 12 4.113 -6.706 10.557 1.00 0.00 C ATOM 134 O ASN A 12 3.335 -7.643 10.376 1.00 0.00 O ATOM 135 CB ASN A 12 2.732 -6.163 12.571 1.00 0.00 C ATOM 136 CG ASN A 12 2.896 -7.326 13.529 1.00 0.00 C ATOM 137 OD1 ASN A 12 2.846 -8.542 12.998 1.00 0.00 O flip ATOM 138 ND2 ASN A 12 3.066 -7.134 14.733 1.00 0.00 N flip ATOM 0 H ASN A 12 4.943 -3.962 11.742 1.00 0.00 H new ATOM 0 HA ASN A 12 4.876 -6.073 12.451 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.413 -5.281 13.126 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.941 -6.393 11.857 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.098 -6.182 15.098 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.175 -7.927 15.365 1.00 0.00 H new ATOM 145 N LEU A 13 5.068 -6.382 9.692 1.00 0.00 N ATOM 146 CA LEU A 13 5.262 -7.126 8.453 1.00 0.00 C ATOM 147 C LEU A 13 6.352 -8.181 8.615 1.00 0.00 C ATOM 148 O LEU A 13 7.439 -7.893 9.118 1.00 0.00 O ATOM 149 CB LEU A 13 5.626 -6.172 7.314 1.00 0.00 C ATOM 150 CG LEU A 13 4.471 -5.365 6.720 1.00 0.00 C ATOM 151 CD1 LEU A 13 4.991 -4.099 6.056 1.00 0.00 C ATOM 152 CD2 LEU A 13 3.688 -6.208 5.724 1.00 0.00 C ATOM 0 H LEU A 13 5.720 -5.609 9.826 1.00 0.00 H new ATOM 0 HA LEU A 13 4.327 -7.631 8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.381 -5.475 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.087 -6.752 6.514 1.00 0.00 H new ATOM 0 HG LEU A 13 3.800 -5.078 7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.155 -3.537 5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.507 -3.486 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.684 -4.365 5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.870 -5.618 5.311 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.349 -6.526 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.284 -7.085 6.229 1.00 0.00 H new ATOM 164 N ASP A 14 6.055 -9.402 8.186 1.00 0.00 N ATOM 165 CA ASP A 14 7.011 -10.500 8.281 1.00 0.00 C ATOM 166 C ASP A 14 8.326 -10.135 7.599 1.00 0.00 C ATOM 167 O ASP A 14 8.351 -9.517 6.535 1.00 0.00 O ATOM 168 CB ASP A 14 6.429 -11.766 7.651 1.00 0.00 C ATOM 169 CG ASP A 14 7.197 -13.013 8.044 1.00 0.00 C ATOM 170 OD1 ASP A 14 7.087 -13.434 9.215 1.00 0.00 O ATOM 171 OD2 ASP A 14 7.907 -13.569 7.181 1.00 0.00 O ATOM 0 H ASP A 14 5.160 -9.657 7.769 1.00 0.00 H new ATOM 0 HA ASP A 14 7.210 -10.687 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.387 -11.874 7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.436 -11.665 6.566 1.00 0.00 H new ATOM 176 N PRO A 15 9.446 -10.527 8.225 1.00 0.00 N ATOM 177 CA PRO A 15 10.785 -10.252 7.697 1.00 0.00 C ATOM 178 C PRO A 15 11.090 -11.059 6.439 1.00 0.00 C ATOM 179 O PRO A 15 12.186 -10.973 5.887 1.00 0.00 O ATOM 180 CB PRO A 15 11.711 -10.674 8.840 1.00 0.00 C ATOM 181 CG PRO A 15 10.931 -11.687 9.605 1.00 0.00 C ATOM 182 CD PRO A 15 9.491 -11.268 9.496 1.00 0.00 C ATOM 0 HA PRO A 15 10.899 -9.209 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.642 -11.095 8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.978 -9.824 9.467 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.079 -12.686 9.194 1.00 0.00 H new ATOM 0 HG3 PRO A 15 11.250 -11.720 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.822 -12.129 9.483 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.190 -10.643 10.336 1.00 0.00 H new ATOM 190 N GLU A 16 10.112 -11.841 5.993 1.00 0.00 N ATOM 191 CA GLU A 16 10.277 -12.664 4.800 1.00 0.00 C ATOM 192 C GLU A 16 9.560 -12.041 3.606 1.00 0.00 C ATOM 193 O GLU A 16 9.682 -12.518 2.477 1.00 0.00 O ATOM 194 CB GLU A 16 9.744 -14.076 5.050 1.00 0.00 C ATOM 195 CG GLU A 16 10.288 -14.717 6.316 1.00 0.00 C ATOM 196 CD GLU A 16 11.754 -15.087 6.199 1.00 0.00 C ATOM 197 OE1 GLU A 16 12.244 -15.219 5.058 1.00 0.00 O ATOM 198 OE2 GLU A 16 12.410 -15.246 7.249 1.00 0.00 O ATOM 0 H GLU A 16 9.198 -11.922 6.439 1.00 0.00 H new ATOM 0 HA GLU A 16 11.342 -12.721 4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.656 -14.039 5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.995 -14.706 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.156 -14.030 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.708 -15.612 6.544 1.00 0.00 H new ATOM 205 N ILE A 17 8.811 -10.974 3.864 1.00 0.00 N ATOM 206 CA ILE A 17 8.074 -10.286 2.812 1.00 0.00 C ATOM 207 C ILE A 17 8.956 -9.266 2.100 1.00 0.00 C ATOM 208 O ILE A 17 9.817 -8.636 2.716 1.00 0.00 O ATOM 209 CB ILE A 17 6.830 -9.571 3.370 1.00 0.00 C ATOM 210 CG1 ILE A 17 5.909 -10.573 4.069 1.00 0.00 C ATOM 211 CG2 ILE A 17 6.088 -8.849 2.255 1.00 0.00 C ATOM 212 CD1 ILE A 17 4.948 -9.933 5.046 1.00 0.00 C ATOM 0 H ILE A 17 8.699 -10.567 4.793 1.00 0.00 H new ATOM 0 HA ILE A 17 7.756 -11.048 2.100 1.00 0.00 H new ATOM 0 HB ILE A 17 7.153 -8.831 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.339 -11.117 3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.518 -11.306 4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.211 -8.349 2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.747 -8.110 1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.774 -9.570 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.327 -10.703 5.503 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.510 -9.413 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.313 -9.221 4.518 1.00 0.00 H new ATOM 224 N ASP A 18 8.736 -9.106 0.800 1.00 0.00 N ATOM 225 CA ASP A 18 9.508 -8.160 0.004 1.00 0.00 C ATOM 226 C ASP A 18 8.587 -7.228 -0.778 1.00 0.00 C ATOM 227 O ASP A 18 7.405 -7.516 -0.957 1.00 0.00 O ATOM 228 CB ASP A 18 10.435 -8.906 -0.958 1.00 0.00 C ATOM 229 CG ASP A 18 9.758 -10.099 -1.605 1.00 0.00 C ATOM 230 OD1 ASP A 18 8.546 -10.290 -1.374 1.00 0.00 O ATOM 231 OD2 ASP A 18 10.441 -10.841 -2.341 1.00 0.00 O ATOM 0 H ASP A 18 8.029 -9.620 0.275 1.00 0.00 H new ATOM 0 HA ASP A 18 10.111 -7.559 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.777 -8.221 -1.734 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.320 -9.243 -0.418 1.00 0.00 H new ATOM 236 N GLU A 19 9.139 -6.110 -1.240 1.00 0.00 N ATOM 237 CA GLU A 19 8.365 -5.136 -2.001 1.00 0.00 C ATOM 238 C GLU A 19 7.449 -5.831 -3.003 1.00 0.00 C ATOM 239 O GLU A 19 6.299 -5.433 -3.191 1.00 0.00 O ATOM 240 CB GLU A 19 9.299 -4.169 -2.733 1.00 0.00 C ATOM 241 CG GLU A 19 10.101 -3.276 -1.802 1.00 0.00 C ATOM 242 CD GLU A 19 11.337 -2.701 -2.466 1.00 0.00 C ATOM 243 OE1 GLU A 19 12.149 -3.491 -2.993 1.00 0.00 O ATOM 244 OE2 GLU A 19 11.493 -1.462 -2.460 1.00 0.00 O ATOM 0 H GLU A 19 10.117 -5.857 -1.101 1.00 0.00 H new ATOM 0 HA GLU A 19 7.748 -4.574 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.987 -4.742 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.709 -3.544 -3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.468 -2.460 -1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.398 -3.848 -0.923 1.00 0.00 H new ATOM 251 N LYS A 20 7.966 -6.873 -3.645 1.00 0.00 N ATOM 252 CA LYS A 20 7.197 -7.626 -4.628 1.00 0.00 C ATOM 253 C LYS A 20 5.851 -8.055 -4.052 1.00 0.00 C ATOM 254 O LYS A 20 4.797 -7.618 -4.517 1.00 0.00 O ATOM 255 CB LYS A 20 7.982 -8.856 -5.088 1.00 0.00 C ATOM 256 CG LYS A 20 7.224 -9.730 -6.071 1.00 0.00 C ATOM 257 CD LYS A 20 7.029 -9.029 -7.405 1.00 0.00 C ATOM 258 CE LYS A 20 6.016 -9.758 -8.275 1.00 0.00 C ATOM 259 NZ LYS A 20 4.619 -9.346 -7.965 1.00 0.00 N ATOM 0 H LYS A 20 8.916 -7.216 -3.502 1.00 0.00 H new ATOM 0 HA LYS A 20 7.016 -6.977 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.914 -8.530 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.249 -9.453 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.768 -10.662 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.253 -9.993 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.694 -8.006 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.983 -8.969 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.229 -9.558 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.118 -10.833 -8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.960 -9.865 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.407 -9.560 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.514 -8.325 -8.130 1.00 0.00 H new ATOM 273 N LEU A 21 5.893 -8.913 -3.038 1.00 0.00 N ATOM 274 CA LEU A 21 4.676 -9.400 -2.398 1.00 0.00 C ATOM 275 C LEU A 21 3.741 -8.245 -2.056 1.00 0.00 C ATOM 276 O LEU A 21 2.671 -8.102 -2.649 1.00 0.00 O ATOM 277 CB LEU A 21 5.023 -10.183 -1.130 1.00 0.00 C ATOM 278 CG LEU A 21 3.922 -11.092 -0.581 1.00 0.00 C ATOM 279 CD1 LEU A 21 3.681 -12.265 -1.518 1.00 0.00 C ATOM 280 CD2 LEU A 21 4.284 -11.586 0.812 1.00 0.00 C ATOM 0 H LEU A 21 6.756 -9.285 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 21 4.165 -10.061 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.903 -10.793 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.301 -9.472 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 21 3.001 -10.513 -0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.895 -12.900 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.377 -11.893 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.599 -12.844 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.490 -12.231 1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.217 -12.148 0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.405 -10.733 1.480 1.00 0.00 H new ATOM 292 N LEU A 22 4.151 -7.422 -1.097 1.00 0.00 N ATOM 293 CA LEU A 22 3.351 -6.277 -0.677 1.00 0.00 C ATOM 294 C LEU A 22 2.645 -5.639 -1.870 1.00 0.00 C ATOM 295 O LEU A 22 1.432 -5.433 -1.848 1.00 0.00 O ATOM 296 CB LEU A 22 4.234 -5.241 0.021 1.00 0.00 C ATOM 297 CG LEU A 22 4.586 -5.534 1.480 1.00 0.00 C ATOM 298 CD1 LEU A 22 5.717 -4.631 1.948 1.00 0.00 C ATOM 299 CD2 LEU A 22 3.363 -5.364 2.369 1.00 0.00 C ATOM 0 H LEU A 22 5.033 -7.526 -0.596 1.00 0.00 H new ATOM 0 HA LEU A 22 2.594 -6.631 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.161 -5.144 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.731 -4.275 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 22 4.921 -6.569 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.954 -4.854 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.599 -4.802 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.410 -3.589 1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.633 -5.577 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.997 -4.340 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.582 -6.053 2.049 1.00 0.00 H new ATOM 311 N TYR A 23 3.413 -5.331 -2.909 1.00 0.00 N ATOM 312 CA TYR A 23 2.862 -4.716 -4.111 1.00 0.00 C ATOM 313 C TYR A 23 1.572 -5.412 -4.536 1.00 0.00 C ATOM 314 O TYR A 23 0.517 -4.784 -4.630 1.00 0.00 O ATOM 315 CB TYR A 23 3.882 -4.769 -5.249 1.00 0.00 C ATOM 316 CG TYR A 23 3.480 -3.957 -6.460 1.00 0.00 C ATOM 317 CD1 TYR A 23 3.663 -2.580 -6.490 1.00 0.00 C ATOM 318 CD2 TYR A 23 2.918 -4.567 -7.575 1.00 0.00 C ATOM 319 CE1 TYR A 23 3.297 -1.834 -7.593 1.00 0.00 C ATOM 320 CE2 TYR A 23 2.550 -3.829 -8.683 1.00 0.00 C ATOM 321 CZ TYR A 23 2.741 -2.463 -8.688 1.00 0.00 C ATOM 322 OH TYR A 23 2.376 -1.724 -9.789 1.00 0.00 O ATOM 0 H TYR A 23 4.419 -5.497 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 23 2.634 -3.674 -3.884 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.843 -4.408 -4.882 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.026 -5.807 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.099 -2.084 -5.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.766 -5.636 -7.575 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.445 -0.764 -7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.115 -4.319 -9.541 1.00 0.00 H new ATOM 0 HH TYR A 23 2.002 -2.318 -10.472 1.00 0.00 H new ATOM 332 N ASP A 24 1.665 -6.712 -4.790 1.00 0.00 N ATOM 333 CA ASP A 24 0.507 -7.495 -5.204 1.00 0.00 C ATOM 334 C ASP A 24 -0.487 -7.644 -4.056 1.00 0.00 C ATOM 335 O ASP A 24 -1.652 -7.262 -4.175 1.00 0.00 O ATOM 336 CB ASP A 24 0.946 -8.875 -5.695 1.00 0.00 C ATOM 337 CG ASP A 24 -0.210 -9.691 -6.240 1.00 0.00 C ATOM 338 OD1 ASP A 24 -0.803 -9.275 -7.257 1.00 0.00 O ATOM 339 OD2 ASP A 24 -0.521 -10.746 -5.649 1.00 0.00 O ATOM 0 H ASP A 24 2.531 -7.246 -4.716 1.00 0.00 H new ATOM 0 HA ASP A 24 0.016 -6.966 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.702 -8.758 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.414 -9.417 -4.874 1.00 0.00 H new ATOM 344 N THR A 25 -0.019 -8.201 -2.943 1.00 0.00 N ATOM 345 CA THR A 25 -0.866 -8.402 -1.774 1.00 0.00 C ATOM 346 C THR A 25 -1.840 -7.243 -1.595 1.00 0.00 C ATOM 347 O THR A 25 -2.979 -7.436 -1.170 1.00 0.00 O ATOM 348 CB THR A 25 -0.027 -8.555 -0.492 1.00 0.00 C ATOM 349 OG1 THR A 25 0.869 -9.665 -0.622 1.00 0.00 O ATOM 350 CG2 THR A 25 -0.923 -8.759 0.721 1.00 0.00 C ATOM 0 H THR A 25 0.943 -8.521 -2.827 1.00 0.00 H new ATOM 0 HA THR A 25 -1.427 -9.321 -1.944 1.00 0.00 H new ATOM 0 HB THR A 25 0.547 -7.640 -0.349 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.022 -10.066 0.259 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.307 -8.865 1.614 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.583 -7.899 0.835 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.521 -9.660 0.584 1.00 0.00 H new ATOM 358 N PHE A 26 -1.385 -6.038 -1.922 1.00 0.00 N ATOM 359 CA PHE A 26 -2.216 -4.846 -1.797 1.00 0.00 C ATOM 360 C PHE A 26 -2.870 -4.497 -3.131 1.00 0.00 C ATOM 361 O PHE A 26 -4.020 -4.059 -3.175 1.00 0.00 O ATOM 362 CB PHE A 26 -1.381 -3.665 -1.300 1.00 0.00 C ATOM 363 CG PHE A 26 -1.118 -3.696 0.178 1.00 0.00 C ATOM 364 CD1 PHE A 26 -0.298 -4.667 0.730 1.00 0.00 C ATOM 365 CD2 PHE A 26 -1.691 -2.753 1.017 1.00 0.00 C ATOM 366 CE1 PHE A 26 -0.054 -4.698 2.090 1.00 0.00 C ATOM 367 CE2 PHE A 26 -1.451 -2.779 2.377 1.00 0.00 C ATOM 368 CZ PHE A 26 -0.632 -3.753 2.915 1.00 0.00 C ATOM 0 H PHE A 26 -0.445 -5.861 -2.276 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.002 -5.056 -1.071 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.429 -3.655 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.895 -2.737 -1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.156 -5.409 0.090 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.332 -1.989 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.588 -5.460 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.903 -2.038 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.444 -3.775 3.978 1.00 0.00 H new ATOM 378 N SER A 27 -2.128 -4.693 -4.216 1.00 0.00 N ATOM 379 CA SER A 27 -2.632 -4.395 -5.551 1.00 0.00 C ATOM 380 C SER A 27 -4.085 -4.840 -5.695 1.00 0.00 C ATOM 381 O SER A 27 -4.915 -4.117 -6.244 1.00 0.00 O ATOM 382 CB SER A 27 -1.769 -5.082 -6.611 1.00 0.00 C ATOM 383 OG SER A 27 -2.283 -4.857 -7.912 1.00 0.00 O ATOM 0 H SER A 27 -1.175 -5.057 -4.197 1.00 0.00 H new ATOM 0 HA SER A 27 -2.584 -3.316 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.747 -4.708 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.728 -6.153 -6.413 1.00 0.00 H new ATOM 0 HG SER A 27 -1.713 -5.305 -8.571 1.00 0.00 H new ATOM 389 N ALA A 28 -4.382 -6.036 -5.198 1.00 0.00 N ATOM 390 CA ALA A 28 -5.733 -6.578 -5.269 1.00 0.00 C ATOM 391 C ALA A 28 -6.773 -5.502 -4.974 1.00 0.00 C ATOM 392 O ALA A 28 -7.629 -5.207 -5.808 1.00 0.00 O ATOM 393 CB ALA A 28 -5.886 -7.742 -4.301 1.00 0.00 C ATOM 0 H ALA A 28 -3.705 -6.648 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.900 -6.939 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.900 -8.137 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.174 -8.526 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.694 -7.398 -3.285 1.00 0.00 H new ATOM 399 N PHE A 29 -6.692 -4.919 -3.783 1.00 0.00 N ATOM 400 CA PHE A 29 -7.628 -3.876 -3.377 1.00 0.00 C ATOM 401 C PHE A 29 -7.623 -2.723 -4.376 1.00 0.00 C ATOM 402 O PHE A 29 -8.635 -2.434 -5.013 1.00 0.00 O ATOM 403 CB PHE A 29 -7.274 -3.359 -1.981 1.00 0.00 C ATOM 404 CG PHE A 29 -7.157 -4.445 -0.951 1.00 0.00 C ATOM 405 CD1 PHE A 29 -8.289 -4.971 -0.348 1.00 0.00 C ATOM 406 CD2 PHE A 29 -5.916 -4.942 -0.586 1.00 0.00 C ATOM 407 CE1 PHE A 29 -8.184 -5.970 0.601 1.00 0.00 C ATOM 408 CE2 PHE A 29 -5.806 -5.942 0.363 1.00 0.00 C ATOM 409 CZ PHE A 29 -6.941 -6.457 0.956 1.00 0.00 C ATOM 0 H PHE A 29 -5.988 -5.151 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.628 -4.308 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.331 -2.815 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -8.036 -2.647 -1.662 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.264 -4.596 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.025 -4.544 -1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.073 -6.370 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.833 -6.320 0.640 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.857 -7.239 1.696 1.00 0.00 H new ATOM 419 N GLY A 30 -6.474 -2.066 -4.507 1.00 0.00 N ATOM 420 CA GLY A 30 -6.358 -0.951 -5.428 1.00 0.00 C ATOM 421 C GLY A 30 -5.021 -0.927 -6.144 1.00 0.00 C ATOM 422 O GLY A 30 -4.199 -1.826 -5.969 1.00 0.00 O ATOM 0 H GLY A 30 -5.622 -2.286 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.160 -1.007 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.491 -0.017 -4.882 1.00 0.00 H new ATOM 426 N VAL A 31 -4.804 0.105 -6.953 1.00 0.00 N ATOM 427 CA VAL A 31 -3.558 0.242 -7.699 1.00 0.00 C ATOM 428 C VAL A 31 -2.562 1.118 -6.947 1.00 0.00 C ATOM 429 O VAL A 31 -2.879 2.242 -6.558 1.00 0.00 O ATOM 430 CB VAL A 31 -3.803 0.844 -9.095 1.00 0.00 C ATOM 431 CG1 VAL A 31 -2.482 1.118 -9.798 1.00 0.00 C ATOM 432 CG2 VAL A 31 -4.678 -0.080 -9.928 1.00 0.00 C ATOM 0 H VAL A 31 -5.474 0.858 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.144 -0.760 -7.812 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.327 1.792 -8.975 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.675 1.543 -10.783 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.895 1.822 -9.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.928 0.186 -9.908 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.841 0.362 -10.911 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.184 -1.045 -10.041 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.637 -0.220 -9.430 1.00 0.00 H new ATOM 442 N ILE A 32 -1.357 0.595 -6.747 1.00 0.00 N ATOM 443 CA ILE A 32 -0.313 1.330 -6.043 1.00 0.00 C ATOM 444 C ILE A 32 0.237 2.463 -6.904 1.00 0.00 C ATOM 445 O ILE A 32 0.436 2.302 -8.108 1.00 0.00 O ATOM 446 CB ILE A 32 0.847 0.405 -5.631 1.00 0.00 C ATOM 447 CG1 ILE A 32 0.371 -0.613 -4.592 1.00 0.00 C ATOM 448 CG2 ILE A 32 2.009 1.222 -5.087 1.00 0.00 C ATOM 449 CD1 ILE A 32 1.228 -1.858 -4.529 1.00 0.00 C ATOM 0 H ILE A 32 -1.079 -0.334 -7.062 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.771 1.747 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 32 1.191 -0.137 -6.512 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.359 -0.140 -3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.656 -0.900 -4.820 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.821 0.554 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.360 1.911 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.680 1.788 -4.215 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.832 -2.534 -3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.220 -2.355 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.251 -1.583 -4.271 1.00 0.00 H new ATOM 461 N LEU A 33 0.481 3.609 -6.277 1.00 0.00 N ATOM 462 CA LEU A 33 1.010 4.769 -6.985 1.00 0.00 C ATOM 463 C LEU A 33 2.455 4.534 -7.412 1.00 0.00 C ATOM 464 O LEU A 33 2.858 4.922 -8.509 1.00 0.00 O ATOM 465 CB LEU A 33 0.925 6.014 -6.099 1.00 0.00 C ATOM 466 CG LEU A 33 -0.413 6.755 -6.110 1.00 0.00 C ATOM 467 CD1 LEU A 33 -0.333 8.013 -5.260 1.00 0.00 C ATOM 468 CD2 LEU A 33 -0.820 7.098 -7.536 1.00 0.00 C ATOM 0 H LEU A 33 0.321 3.759 -5.281 1.00 0.00 H new ATOM 0 HA LEU A 33 0.407 4.924 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.147 5.721 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.705 6.709 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.173 6.101 -5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.294 8.527 -5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.087 7.743 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.439 8.672 -5.657 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.774 7.625 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.059 7.734 -7.988 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.918 6.181 -8.117 1.00 0.00 H new ATOM 480 N GLN A 34 3.229 3.895 -6.541 1.00 0.00 N ATOM 481 CA GLN A 34 4.628 3.607 -6.830 1.00 0.00 C ATOM 482 C GLN A 34 5.195 2.603 -5.831 1.00 0.00 C ATOM 483 O GLN A 34 4.658 2.428 -4.737 1.00 0.00 O ATOM 484 CB GLN A 34 5.453 4.895 -6.799 1.00 0.00 C ATOM 485 CG GLN A 34 5.442 5.593 -5.448 1.00 0.00 C ATOM 486 CD GLN A 34 5.808 7.060 -5.547 1.00 0.00 C ATOM 487 OE1 GLN A 34 5.295 7.784 -6.401 1.00 0.00 O ATOM 488 NE2 GLN A 34 6.699 7.508 -4.670 1.00 0.00 N ATOM 0 H GLN A 34 2.910 3.567 -5.629 1.00 0.00 H new ATOM 0 HA GLN A 34 4.684 3.171 -7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.483 4.663 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.070 5.580 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.452 5.499 -5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 34 6.142 5.092 -4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.099 6.873 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.984 8.487 -4.687 1.00 0.00 H new ATOM 497 N THR A 35 6.283 1.943 -6.215 1.00 0.00 N ATOM 498 CA THR A 35 6.922 0.955 -5.355 1.00 0.00 C ATOM 499 C THR A 35 6.848 1.371 -3.891 1.00 0.00 C ATOM 500 O THR A 35 7.154 2.507 -3.527 1.00 0.00 O ATOM 501 CB THR A 35 8.398 0.743 -5.742 1.00 0.00 C ATOM 502 OG1 THR A 35 8.489 -0.162 -6.848 1.00 0.00 O ATOM 503 CG2 THR A 35 9.193 0.196 -4.566 1.00 0.00 C ATOM 0 H THR A 35 6.740 2.075 -7.117 1.00 0.00 H new ATOM 0 HA THR A 35 6.380 0.019 -5.492 1.00 0.00 H new ATOM 0 HB THR A 35 8.818 1.708 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.430 -0.290 -7.089 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.232 0.055 -4.864 1.00 0.00 H new ATOM 0 HG22 THR A 35 9.146 0.901 -3.736 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.771 -0.760 -4.255 1.00 0.00 H new ATOM 511 N PRO A 36 6.432 0.432 -3.028 1.00 0.00 N ATOM 512 CA PRO A 36 6.309 0.678 -1.588 1.00 0.00 C ATOM 513 C PRO A 36 7.665 0.840 -0.910 1.00 0.00 C ATOM 514 O PRO A 36 8.643 0.197 -1.292 1.00 0.00 O ATOM 515 CB PRO A 36 5.600 -0.577 -1.073 1.00 0.00 C ATOM 516 CG PRO A 36 5.940 -1.637 -2.063 1.00 0.00 C ATOM 517 CD PRO A 36 6.050 -0.943 -3.392 1.00 0.00 C ATOM 0 HA PRO A 36 5.773 1.604 -1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.944 -0.844 -0.074 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.522 -0.425 -1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.877 -2.129 -1.801 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.170 -2.409 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.799 -1.413 -4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.106 -0.967 -3.937 1.00 0.00 H new ATOM 525 N LYS A 37 7.718 1.704 0.098 1.00 0.00 N ATOM 526 CA LYS A 37 8.954 1.950 0.832 1.00 0.00 C ATOM 527 C LYS A 37 8.967 1.181 2.149 1.00 0.00 C ATOM 528 O LYS A 37 8.056 1.317 2.967 1.00 0.00 O ATOM 529 CB LYS A 37 9.121 3.447 1.101 1.00 0.00 C ATOM 530 CG LYS A 37 9.797 4.197 -0.033 1.00 0.00 C ATOM 531 CD LYS A 37 8.800 4.598 -1.108 1.00 0.00 C ATOM 532 CE LYS A 37 9.466 5.406 -2.212 1.00 0.00 C ATOM 533 NZ LYS A 37 10.015 4.531 -3.285 1.00 0.00 N ATOM 0 H LYS A 37 6.919 2.246 0.426 1.00 0.00 H new ATOM 0 HA LYS A 37 9.786 1.602 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.140 3.887 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.704 3.581 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.288 5.087 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.575 3.572 -0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.344 3.705 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.997 5.184 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.742 6.098 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.269 6.008 -1.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.460 5.119 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.724 3.887 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.244 3.975 -3.708 1.00 0.00 H new ATOM 547 N ILE A 38 10.005 0.376 2.349 1.00 0.00 N ATOM 548 CA ILE A 38 10.137 -0.411 3.568 1.00 0.00 C ATOM 549 C ILE A 38 11.362 0.016 4.369 1.00 0.00 C ATOM 550 O ILE A 38 12.482 0.007 3.860 1.00 0.00 O ATOM 551 CB ILE A 38 10.240 -1.916 3.258 1.00 0.00 C ATOM 552 CG1 ILE A 38 9.055 -2.365 2.399 1.00 0.00 C ATOM 553 CG2 ILE A 38 10.300 -2.720 4.548 1.00 0.00 C ATOM 554 CD1 ILE A 38 9.234 -3.739 1.793 1.00 0.00 C ATOM 0 H ILE A 38 10.767 0.252 1.682 1.00 0.00 H new ATOM 0 HA ILE A 38 9.239 -0.230 4.158 1.00 0.00 H new ATOM 0 HB ILE A 38 11.158 -2.094 2.699 1.00 0.00 H new ATOM 0 HG12 ILE A 38 8.152 -2.361 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 38 8.902 -1.641 1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 38 10.373 -3.782 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 38 11.173 -2.416 5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.398 -2.539 5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.356 -3.991 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 38 10.118 -3.743 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 38 9.357 -4.474 2.588 1.00 0.00 H new ATOM 566 N MET A 39 11.140 0.388 5.626 1.00 0.00 N ATOM 567 CA MET A 39 12.227 0.816 6.498 1.00 0.00 C ATOM 568 C MET A 39 13.020 -0.384 7.008 1.00 0.00 C ATOM 569 O MET A 39 12.445 -1.406 7.382 1.00 0.00 O ATOM 570 CB MET A 39 11.676 1.617 7.680 1.00 0.00 C ATOM 571 CG MET A 39 11.586 3.111 7.412 1.00 0.00 C ATOM 572 SD MET A 39 11.090 3.484 5.719 1.00 0.00 S ATOM 573 CE MET A 39 9.312 3.300 5.839 1.00 0.00 C ATOM 0 H MET A 39 10.218 0.402 6.062 1.00 0.00 H new ATOM 0 HA MET A 39 12.896 1.451 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 39 10.685 1.241 7.933 1.00 0.00 H new ATOM 0 HB3 MET A 39 12.311 1.450 8.550 1.00 0.00 H new ATOM 0 HG2 MET A 39 10.871 3.558 8.103 1.00 0.00 H new ATOM 0 HG3 MET A 39 12.553 3.571 7.613 1.00 0.00 H new ATOM 0 HE1 MET A 39 8.838 3.780 4.983 1.00 0.00 H new ATOM 0 HE2 MET A 39 9.056 2.241 5.849 1.00 0.00 H new ATOM 0 HE3 MET A 39 8.959 3.768 6.758 1.00 0.00 H new ATOM 691 N LYS A 48 12.694 -3.497 9.525 1.00 0.00 N ATOM 692 CA LYS A 48 12.292 -2.845 10.766 1.00 0.00 C ATOM 693 C LYS A 48 10.963 -3.400 11.267 1.00 0.00 C ATOM 694 O LYS A 48 10.786 -3.627 12.463 1.00 0.00 O ATOM 695 CB LYS A 48 12.180 -1.333 10.559 1.00 0.00 C ATOM 696 CG LYS A 48 13.520 -0.618 10.556 1.00 0.00 C ATOM 697 CD LYS A 48 14.069 -0.456 11.963 1.00 0.00 C ATOM 698 CE LYS A 48 15.092 0.667 12.037 1.00 0.00 C ATOM 699 NZ LYS A 48 15.502 0.953 13.439 1.00 0.00 N ATOM 0 HA LYS A 48 13.056 -3.047 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.673 -1.141 9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.555 -0.912 11.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.231 -1.179 9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.409 0.362 10.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.250 -0.250 12.652 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.529 -1.390 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.970 0.398 11.450 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.674 1.569 11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.200 1.724 13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.669 1.235 13.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.924 0.100 13.858 1.00 0.00 H new ATOM 713 N GLY A 49 10.032 -3.619 10.344 1.00 0.00 N ATOM 714 CA GLY A 49 8.732 -4.147 10.712 1.00 0.00 C ATOM 715 C GLY A 49 7.594 -3.253 10.262 1.00 0.00 C ATOM 716 O GLY A 49 6.433 -3.665 10.262 1.00 0.00 O ATOM 0 H GLY A 49 10.155 -3.440 9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.608 -5.137 10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.687 -4.271 11.794 1.00 0.00 H new ATOM 720 N TYR A 50 7.925 -2.025 9.878 1.00 0.00 N ATOM 721 CA TYR A 50 6.921 -1.068 9.428 1.00 0.00 C ATOM 722 C TYR A 50 7.248 -0.553 8.030 1.00 0.00 C ATOM 723 O TYR A 50 8.403 -0.267 7.716 1.00 0.00 O ATOM 724 CB TYR A 50 6.828 0.104 10.406 1.00 0.00 C ATOM 725 CG TYR A 50 8.170 0.562 10.932 1.00 0.00 C ATOM 726 CD1 TYR A 50 8.964 1.435 10.198 1.00 0.00 C ATOM 727 CD2 TYR A 50 8.644 0.121 12.161 1.00 0.00 C ATOM 728 CE1 TYR A 50 10.191 1.855 10.674 1.00 0.00 C ATOM 729 CE2 TYR A 50 9.868 0.538 12.646 1.00 0.00 C ATOM 730 CZ TYR A 50 10.638 1.404 11.899 1.00 0.00 C ATOM 731 OH TYR A 50 11.860 1.820 12.377 1.00 0.00 O ATOM 0 H TYR A 50 8.881 -1.669 9.869 1.00 0.00 H new ATOM 0 HA TYR A 50 5.959 -1.579 9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.336 0.941 9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.197 -0.184 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.616 1.791 9.240 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.045 -0.560 12.747 1.00 0.00 H new ATOM 0 HE1 TYR A 50 10.797 2.532 10.091 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.220 0.188 13.605 1.00 0.00 H new ATOM 0 HH TYR A 50 11.925 1.614 13.333 1.00 0.00 H new ATOM 741 N ALA A 51 6.221 -0.438 7.194 1.00 0.00 N ATOM 742 CA ALA A 51 6.397 0.045 5.830 1.00 0.00 C ATOM 743 C ALA A 51 5.328 1.069 5.467 1.00 0.00 C ATOM 744 O ALA A 51 4.341 1.231 6.185 1.00 0.00 O ATOM 745 CB ALA A 51 6.369 -1.119 4.850 1.00 0.00 C ATOM 0 H ALA A 51 5.259 -0.673 7.438 1.00 0.00 H new ATOM 0 HA ALA A 51 7.368 0.535 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.502 -0.744 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.174 -1.814 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.411 -1.634 4.924 1.00 0.00 H new ATOM 751 N PHE A 52 5.531 1.760 4.350 1.00 0.00 N ATOM 752 CA PHE A 52 4.584 2.771 3.894 1.00 0.00 C ATOM 753 C PHE A 52 4.212 2.547 2.431 1.00 0.00 C ATOM 754 O PHE A 52 5.082 2.351 1.582 1.00 0.00 O ATOM 755 CB PHE A 52 5.175 4.171 4.073 1.00 0.00 C ATOM 756 CG PHE A 52 5.078 4.687 5.480 1.00 0.00 C ATOM 757 CD1 PHE A 52 6.071 4.407 6.405 1.00 0.00 C ATOM 758 CD2 PHE A 52 3.994 5.452 5.878 1.00 0.00 C ATOM 759 CE1 PHE A 52 5.984 4.880 7.700 1.00 0.00 C ATOM 760 CE2 PHE A 52 3.901 5.929 7.172 1.00 0.00 C ATOM 761 CZ PHE A 52 4.898 5.643 8.084 1.00 0.00 C ATOM 0 H PHE A 52 6.343 1.638 3.744 1.00 0.00 H new ATOM 0 HA PHE A 52 3.680 2.685 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.222 4.156 3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.661 4.862 3.405 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.923 3.812 6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.212 5.679 5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.764 4.654 8.412 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.050 6.524 7.469 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.829 6.015 9.096 1.00 0.00 H new ATOM 771 N ILE A 53 2.915 2.576 2.145 1.00 0.00 N ATOM 772 CA ILE A 53 2.427 2.377 0.786 1.00 0.00 C ATOM 773 C ILE A 53 1.403 3.441 0.408 1.00 0.00 C ATOM 774 O ILE A 53 0.597 3.863 1.236 1.00 0.00 O ATOM 775 CB ILE A 53 1.792 0.985 0.615 1.00 0.00 C ATOM 776 CG1 ILE A 53 2.712 -0.094 1.187 1.00 0.00 C ATOM 777 CG2 ILE A 53 1.498 0.714 -0.853 1.00 0.00 C ATOM 778 CD1 ILE A 53 2.224 -1.503 0.932 1.00 0.00 C ATOM 0 H ILE A 53 2.183 2.736 2.837 1.00 0.00 H new ATOM 0 HA ILE A 53 3.290 2.457 0.126 1.00 0.00 H new ATOM 0 HB ILE A 53 0.851 0.962 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.706 0.021 0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.812 0.058 2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.049 -0.274 -0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.808 1.468 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.426 0.753 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.926 -2.215 1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.243 -1.637 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.151 -1.674 -0.142 1.00 0.00 H new ATOM 790 N ASN A 54 1.440 3.870 -0.850 1.00 0.00 N ATOM 791 CA ASN A 54 0.514 4.885 -1.339 1.00 0.00 C ATOM 792 C ASN A 54 -0.383 4.319 -2.436 1.00 0.00 C ATOM 793 O ASN A 54 0.088 3.636 -3.346 1.00 0.00 O ATOM 794 CB ASN A 54 1.285 6.096 -1.868 1.00 0.00 C ATOM 795 CG ASN A 54 1.601 7.102 -0.778 1.00 0.00 C ATOM 796 OD1 ASN A 54 2.565 6.941 -0.030 1.00 0.00 O ATOM 797 ND2 ASN A 54 0.787 8.147 -0.684 1.00 0.00 N ATOM 0 H ASN A 54 2.101 3.530 -1.549 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.115 5.199 -0.506 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.214 5.759 -2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.701 6.582 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.949 8.857 0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.000 8.240 -1.326 1.00 0.00 H new ATOM 804 N PHE A 55 -1.676 4.609 -2.344 1.00 0.00 N ATOM 805 CA PHE A 55 -2.639 4.129 -3.328 1.00 0.00 C ATOM 806 C PHE A 55 -3.018 5.239 -4.304 1.00 0.00 C ATOM 807 O PHE A 55 -2.755 6.416 -4.055 1.00 0.00 O ATOM 808 CB PHE A 55 -3.893 3.599 -2.629 1.00 0.00 C ATOM 809 CG PHE A 55 -3.821 2.136 -2.298 1.00 0.00 C ATOM 810 CD1 PHE A 55 -4.028 1.179 -3.278 1.00 0.00 C ATOM 811 CD2 PHE A 55 -3.547 1.717 -1.006 1.00 0.00 C ATOM 812 CE1 PHE A 55 -3.962 -0.169 -2.977 1.00 0.00 C ATOM 813 CE2 PHE A 55 -3.479 0.372 -0.698 1.00 0.00 C ATOM 814 CZ PHE A 55 -3.688 -0.573 -1.685 1.00 0.00 C ATOM 0 H PHE A 55 -2.081 5.174 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.174 3.318 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.054 4.164 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.758 3.777 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.244 1.490 -4.290 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.385 2.451 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.124 -0.905 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.263 0.059 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.637 -1.625 -1.446 1.00 0.00 H new ATOM 824 N ALA A 56 -3.638 4.856 -5.415 1.00 0.00 N ATOM 825 CA ALA A 56 -4.055 5.818 -6.428 1.00 0.00 C ATOM 826 C ALA A 56 -4.938 6.904 -5.824 1.00 0.00 C ATOM 827 O ALA A 56 -4.649 8.094 -5.950 1.00 0.00 O ATOM 828 CB ALA A 56 -4.785 5.110 -7.559 1.00 0.00 C ATOM 0 H ALA A 56 -3.863 3.886 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.161 6.295 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.091 5.840 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.122 4.376 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.666 4.605 -7.163 1.00 0.00 H new ATOM 834 N SER A 57 -6.015 6.487 -5.167 1.00 0.00 N ATOM 835 CA SER A 57 -6.943 7.425 -4.546 1.00 0.00 C ATOM 836 C SER A 57 -7.410 6.909 -3.188 1.00 0.00 C ATOM 837 O SER A 57 -7.108 5.780 -2.803 1.00 0.00 O ATOM 838 CB SER A 57 -8.149 7.660 -5.458 1.00 0.00 C ATOM 839 OG SER A 57 -8.678 8.963 -5.277 1.00 0.00 O ATOM 0 H SER A 57 -6.267 5.505 -5.051 1.00 0.00 H new ATOM 0 HA SER A 57 -6.421 8.370 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.854 7.525 -6.499 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.919 6.918 -5.246 1.00 0.00 H new ATOM 0 HG SER A 57 -9.447 9.090 -5.872 1.00 0.00 H new ATOM 845 N PHE A 58 -8.150 7.745 -2.467 1.00 0.00 N ATOM 846 CA PHE A 58 -8.659 7.376 -1.152 1.00 0.00 C ATOM 847 C PHE A 58 -9.506 6.109 -1.233 1.00 0.00 C ATOM 848 O PHE A 58 -9.367 5.203 -0.411 1.00 0.00 O ATOM 849 CB PHE A 58 -9.486 8.520 -0.562 1.00 0.00 C ATOM 850 CG PHE A 58 -8.864 9.873 -0.757 1.00 0.00 C ATOM 851 CD1 PHE A 58 -9.061 10.578 -1.933 1.00 0.00 C ATOM 852 CD2 PHE A 58 -8.081 10.439 0.236 1.00 0.00 C ATOM 853 CE1 PHE A 58 -8.489 11.822 -2.115 1.00 0.00 C ATOM 854 CE2 PHE A 58 -7.506 11.684 0.060 1.00 0.00 C ATOM 855 CZ PHE A 58 -7.711 12.377 -1.117 1.00 0.00 C ATOM 0 H PHE A 58 -8.410 8.683 -2.772 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.807 7.181 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -10.476 8.515 -1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.626 8.344 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.669 10.150 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.918 9.901 1.158 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.650 12.361 -3.037 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.897 12.114 0.842 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.264 13.350 -1.257 1.00 0.00 H new ATOM 865 N ASP A 59 -10.384 6.055 -2.228 1.00 0.00 N ATOM 866 CA ASP A 59 -11.254 4.900 -2.418 1.00 0.00 C ATOM 867 C ASP A 59 -10.469 3.600 -2.280 1.00 0.00 C ATOM 868 O ASP A 59 -10.917 2.659 -1.624 1.00 0.00 O ATOM 869 CB ASP A 59 -11.927 4.961 -3.790 1.00 0.00 C ATOM 870 CG ASP A 59 -12.884 3.808 -4.018 1.00 0.00 C ATOM 871 OD1 ASP A 59 -13.541 3.381 -3.046 1.00 0.00 O ATOM 872 OD2 ASP A 59 -12.976 3.332 -5.169 1.00 0.00 O ATOM 0 H ASP A 59 -10.512 6.797 -2.916 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.022 4.924 -1.645 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.468 5.902 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.163 4.954 -4.567 1.00 0.00 H new ATOM 877 N ALA A 60 -9.296 3.553 -2.903 1.00 0.00 N ATOM 878 CA ALA A 60 -8.449 2.369 -2.849 1.00 0.00 C ATOM 879 C ALA A 60 -7.985 2.090 -1.423 1.00 0.00 C ATOM 880 O ALA A 60 -8.068 0.960 -0.943 1.00 0.00 O ATOM 881 CB ALA A 60 -7.251 2.534 -3.772 1.00 0.00 C ATOM 0 H ALA A 60 -8.911 4.322 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.038 1.516 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.627 1.642 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -7.597 2.677 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.669 3.402 -3.461 1.00 0.00 H new ATOM 887 N SER A 61 -7.497 3.128 -0.751 1.00 0.00 N ATOM 888 CA SER A 61 -7.015 2.993 0.619 1.00 0.00 C ATOM 889 C SER A 61 -8.125 2.492 1.538 1.00 0.00 C ATOM 890 O SER A 61 -7.890 1.667 2.421 1.00 0.00 O ATOM 891 CB SER A 61 -6.482 4.333 1.129 1.00 0.00 C ATOM 892 OG SER A 61 -5.414 4.798 0.321 1.00 0.00 O ATOM 0 H SER A 61 -7.425 4.071 -1.133 1.00 0.00 H new ATOM 0 HA SER A 61 -6.206 2.263 0.623 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.286 5.069 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.142 4.225 2.159 1.00 0.00 H new ATOM 0 HG SER A 61 -5.092 5.657 0.667 1.00 0.00 H new ATOM 898 N ASP A 62 -9.336 2.996 1.322 1.00 0.00 N ATOM 899 CA ASP A 62 -10.484 2.600 2.130 1.00 0.00 C ATOM 900 C ASP A 62 -10.592 1.080 2.212 1.00 0.00 C ATOM 901 O ASP A 62 -10.672 0.512 3.300 1.00 0.00 O ATOM 902 CB ASP A 62 -11.771 3.184 1.545 1.00 0.00 C ATOM 903 CG ASP A 62 -12.893 3.246 2.563 1.00 0.00 C ATOM 904 OD1 ASP A 62 -12.851 4.136 3.437 1.00 0.00 O ATOM 905 OD2 ASP A 62 -13.811 2.403 2.487 1.00 0.00 O ATOM 0 H ASP A 62 -9.548 3.679 0.595 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.341 2.991 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.572 4.186 1.166 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.088 2.579 0.696 1.00 0.00 H new ATOM 910 N ALA A 63 -10.593 0.429 1.054 1.00 0.00 N ATOM 911 CA ALA A 63 -10.691 -1.025 0.995 1.00 0.00 C ATOM 912 C ALA A 63 -9.721 -1.680 1.972 1.00 0.00 C ATOM 913 O ALA A 63 -10.113 -2.520 2.781 1.00 0.00 O ATOM 914 CB ALA A 63 -10.426 -1.514 -0.421 1.00 0.00 C ATOM 0 H ALA A 63 -10.527 0.885 0.144 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.703 -1.309 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.502 -2.601 -0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.161 -1.080 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.425 -1.212 -0.729 1.00 0.00 H new ATOM 920 N ALA A 64 -8.453 -1.290 1.892 1.00 0.00 N ATOM 921 CA ALA A 64 -7.428 -1.838 2.771 1.00 0.00 C ATOM 922 C ALA A 64 -7.770 -1.590 4.236 1.00 0.00 C ATOM 923 O ALA A 64 -8.136 -2.514 4.963 1.00 0.00 O ATOM 924 CB ALA A 64 -6.070 -1.240 2.435 1.00 0.00 C ATOM 0 H ALA A 64 -8.111 -0.596 1.227 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.387 -2.916 2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.314 -1.658 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.815 -1.474 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.107 -0.158 2.563 1.00 0.00 H new ATOM 930 N ILE A 65 -7.649 -0.337 4.663 1.00 0.00 N ATOM 931 CA ILE A 65 -7.946 0.032 6.041 1.00 0.00 C ATOM 932 C ILE A 65 -9.178 -0.705 6.554 1.00 0.00 C ATOM 933 O ILE A 65 -9.323 -0.930 7.755 1.00 0.00 O ATOM 934 CB ILE A 65 -8.174 1.549 6.181 1.00 0.00 C ATOM 935 CG1 ILE A 65 -6.897 2.313 5.826 1.00 0.00 C ATOM 936 CG2 ILE A 65 -8.626 1.888 7.594 1.00 0.00 C ATOM 937 CD1 ILE A 65 -7.111 3.802 5.659 1.00 0.00 C ATOM 0 H ILE A 65 -7.347 0.439 4.074 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.080 -0.254 6.638 1.00 0.00 H new ATOM 0 HB ILE A 65 -8.959 1.850 5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.154 2.146 6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.485 1.907 4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -8.783 2.963 7.678 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.558 1.367 7.813 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.861 1.577 8.305 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.164 4.280 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.830 3.979 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.494 4.221 6.590 1.00 0.00 H new ATOM 949 N GLU A 66 -10.062 -1.081 5.635 1.00 0.00 N ATOM 950 CA GLU A 66 -11.282 -1.794 5.995 1.00 0.00 C ATOM 951 C GLU A 66 -10.993 -3.271 6.251 1.00 0.00 C ATOM 952 O GLU A 66 -11.257 -3.787 7.337 1.00 0.00 O ATOM 953 CB GLU A 66 -12.328 -1.653 4.888 1.00 0.00 C ATOM 954 CG GLU A 66 -13.696 -2.191 5.271 1.00 0.00 C ATOM 955 CD GLU A 66 -14.417 -1.301 6.265 1.00 0.00 C ATOM 956 OE1 GLU A 66 -13.820 -0.980 7.314 1.00 0.00 O ATOM 957 OE2 GLU A 66 -15.576 -0.924 5.994 1.00 0.00 O ATOM 0 H GLU A 66 -9.956 -0.904 4.636 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.673 -1.353 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.423 -0.600 4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.977 -2.177 3.999 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.306 -2.295 4.373 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.584 -3.188 5.697 1.00 0.00 H new ATOM 964 N ALA A 67 -10.449 -3.945 5.243 1.00 0.00 N ATOM 965 CA ALA A 67 -10.122 -5.360 5.358 1.00 0.00 C ATOM 966 C ALA A 67 -8.673 -5.556 5.789 1.00 0.00 C ATOM 967 O ALA A 67 -8.400 -6.161 6.826 1.00 0.00 O ATOM 968 CB ALA A 67 -10.383 -6.071 4.039 1.00 0.00 C ATOM 0 H ALA A 67 -10.226 -3.533 4.337 1.00 0.00 H new ATOM 0 HA ALA A 67 -10.763 -5.794 6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -10.134 -7.127 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -11.435 -5.970 3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.767 -5.626 3.258 1.00 0.00 H new ATOM 974 N MET A 68 -7.747 -5.042 4.987 1.00 0.00 N ATOM 975 CA MET A 68 -6.325 -5.161 5.286 1.00 0.00 C ATOM 976 C MET A 68 -6.057 -4.897 6.765 1.00 0.00 C ATOM 977 O MET A 68 -5.180 -5.516 7.366 1.00 0.00 O ATOM 978 CB MET A 68 -5.518 -4.185 4.428 1.00 0.00 C ATOM 979 CG MET A 68 -5.073 -4.771 3.098 1.00 0.00 C ATOM 980 SD MET A 68 -3.470 -5.590 3.201 1.00 0.00 S ATOM 981 CE MET A 68 -3.967 -7.310 3.175 1.00 0.00 C ATOM 0 H MET A 68 -7.956 -4.539 4.125 1.00 0.00 H new ATOM 0 HA MET A 68 -6.014 -6.180 5.054 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.119 -3.295 4.241 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.639 -3.864 4.987 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.820 -5.485 2.752 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.023 -3.976 2.354 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.775 -7.759 4.150 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.031 -7.378 2.947 1.00 0.00 H new ATOM 0 HE3 MET A 68 -3.398 -7.842 2.412 1.00 0.00 H new ATOM 991 N ASN A 69 -6.818 -3.975 7.344 1.00 0.00 N ATOM 992 CA ASN A 69 -6.662 -3.629 8.752 1.00 0.00 C ATOM 993 C ASN A 69 -6.857 -4.855 9.639 1.00 0.00 C ATOM 994 O ASN A 69 -7.964 -5.134 10.097 1.00 0.00 O ATOM 995 CB ASN A 69 -7.661 -2.538 9.145 1.00 0.00 C ATOM 996 CG ASN A 69 -7.802 -2.398 10.649 1.00 0.00 C ATOM 997 OD1 ASN A 69 -6.977 -2.903 11.411 1.00 0.00 O ATOM 998 ND2 ASN A 69 -8.852 -1.710 11.082 1.00 0.00 N ATOM 0 H ASN A 69 -7.549 -3.454 6.860 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.649 -3.254 8.897 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.340 -1.586 8.723 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.634 -2.767 8.711 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -9.001 -1.582 12.083 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.510 -1.309 10.414 1.00 0.00 H new ATOM 1005 N GLY A 70 -5.771 -5.585 9.877 1.00 0.00 N ATOM 1006 CA GLY A 70 -5.843 -6.773 10.707 1.00 0.00 C ATOM 1007 C GLY A 70 -5.555 -8.042 9.930 1.00 0.00 C ATOM 1008 O GLY A 70 -5.112 -9.039 10.500 1.00 0.00 O ATOM 0 H GLY A 70 -4.843 -5.375 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.130 -6.683 11.527 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.835 -6.841 11.153 1.00 0.00 H new ATOM 1012 N GLN A 71 -5.809 -8.006 8.626 1.00 0.00 N ATOM 1013 CA GLN A 71 -5.576 -9.164 7.771 1.00 0.00 C ATOM 1014 C GLN A 71 -4.362 -9.956 8.246 1.00 0.00 C ATOM 1015 O GLN A 71 -3.254 -9.425 8.324 1.00 0.00 O ATOM 1016 CB GLN A 71 -5.375 -8.721 6.321 1.00 0.00 C ATOM 1017 CG GLN A 71 -6.666 -8.660 5.519 1.00 0.00 C ATOM 1018 CD GLN A 71 -7.154 -10.031 5.095 1.00 0.00 C ATOM 1019 OE1 GLN A 71 -8.022 -10.621 5.739 1.00 0.00 O ATOM 1020 NE2 GLN A 71 -6.599 -10.546 4.004 1.00 0.00 N ATOM 0 H GLN A 71 -6.176 -7.188 8.139 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.453 -9.809 7.828 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -4.905 -7.738 6.312 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.685 -9.409 5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.437 -8.172 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.511 -8.044 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.883 -10.023 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.889 -11.465 3.670 1.00 0.00 H new ATOM 1029 N TYR A 72 -4.578 -11.228 8.561 1.00 0.00 N ATOM 1030 CA TYR A 72 -3.503 -12.093 9.031 1.00 0.00 C ATOM 1031 C TYR A 72 -2.489 -12.353 7.921 1.00 0.00 C ATOM 1032 O TYR A 72 -2.713 -13.185 7.041 1.00 0.00 O ATOM 1033 CB TYR A 72 -4.071 -13.419 9.539 1.00 0.00 C ATOM 1034 CG TYR A 72 -3.278 -14.021 10.677 1.00 0.00 C ATOM 1035 CD1 TYR A 72 -3.305 -13.451 11.945 1.00 0.00 C ATOM 1036 CD2 TYR A 72 -2.503 -15.157 10.486 1.00 0.00 C ATOM 1037 CE1 TYR A 72 -2.582 -13.997 12.988 1.00 0.00 C ATOM 1038 CE2 TYR A 72 -1.778 -15.710 11.524 1.00 0.00 C ATOM 1039 CZ TYR A 72 -1.821 -15.127 12.773 1.00 0.00 C ATOM 1040 OH TYR A 72 -1.099 -15.674 13.809 1.00 0.00 O ATOM 0 H TYR A 72 -5.489 -11.683 8.499 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.995 -11.586 9.851 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.099 -13.263 9.866 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.104 -14.130 8.714 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.901 -12.567 12.117 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.466 -15.616 9.509 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.613 -13.541 13.967 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -1.181 -16.594 11.358 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.619 -16.467 13.490 1.00 0.00 H new ATOM 1050 N LEU A 73 -1.371 -11.636 7.969 1.00 0.00 N ATOM 1051 CA LEU A 73 -0.320 -11.788 6.969 1.00 0.00 C ATOM 1052 C LEU A 73 0.639 -12.909 7.354 1.00 0.00 C ATOM 1053 O LEU A 73 0.540 -13.479 8.442 1.00 0.00 O ATOM 1054 CB LEU A 73 0.449 -10.476 6.806 1.00 0.00 C ATOM 1055 CG LEU A 73 1.234 -10.316 5.503 1.00 0.00 C ATOM 1056 CD1 LEU A 73 0.397 -10.768 4.317 1.00 0.00 C ATOM 1057 CD2 LEU A 73 1.681 -8.873 5.324 1.00 0.00 C ATOM 0 H LEU A 73 -1.169 -10.943 8.690 1.00 0.00 H new ATOM 0 HA LEU A 73 -0.789 -12.047 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.259 -9.651 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.144 -10.379 7.640 1.00 0.00 H new ATOM 0 HG LEU A 73 2.122 -10.946 5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.972 -10.647 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.127 -11.817 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.509 -10.165 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.238 -8.778 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.807 -8.223 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.319 -8.583 6.159 1.00 0.00 H new ATOM 1069 N CYS A 74 1.568 -13.219 6.457 1.00 0.00 N ATOM 1070 CA CYS A 74 2.548 -14.272 6.703 1.00 0.00 C ATOM 1071 C CYS A 74 2.907 -14.345 8.184 1.00 0.00 C ATOM 1072 O CYS A 74 3.829 -13.672 8.643 1.00 0.00 O ATOM 1073 CB CYS A 74 3.808 -14.029 5.871 1.00 0.00 C ATOM 1074 SG CYS A 74 3.682 -14.592 4.158 1.00 0.00 S ATOM 0 H CYS A 74 1.664 -12.757 5.553 1.00 0.00 H new ATOM 0 HA CYS A 74 2.105 -15.223 6.408 1.00 0.00 H new ATOM 0 HB2 CYS A 74 4.033 -12.963 5.876 1.00 0.00 H new ATOM 0 HB3 CYS A 74 4.648 -14.535 6.347 1.00 0.00 H new ATOM 0 HG CYS A 74 4.795 -14.341 3.536 1.00 0.00 H new ATOM 1080 N ASN A 75 2.171 -15.166 8.926 1.00 0.00 N ATOM 1081 CA ASN A 75 2.410 -15.325 10.356 1.00 0.00 C ATOM 1082 C ASN A 75 2.721 -13.981 11.008 1.00 0.00 C ATOM 1083 O ASN A 75 3.671 -13.861 11.783 1.00 0.00 O ATOM 1084 CB ASN A 75 3.564 -16.300 10.595 1.00 0.00 C ATOM 1085 CG ASN A 75 3.330 -17.646 9.937 1.00 0.00 C ATOM 1086 OD1 ASN A 75 2.737 -18.546 10.532 1.00 0.00 O ATOM 1087 ND2 ASN A 75 3.795 -17.789 8.701 1.00 0.00 N ATOM 0 H ASN A 75 1.404 -15.731 8.561 1.00 0.00 H new ATOM 0 HA ASN A 75 1.504 -15.727 10.809 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.487 -15.867 10.211 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.700 -16.442 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.666 -18.672 8.207 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.281 -17.016 8.246 1.00 0.00 H new ATOM 1094 N ARG A 76 1.915 -12.974 10.690 1.00 0.00 N ATOM 1095 CA ARG A 76 2.104 -11.639 11.244 1.00 0.00 C ATOM 1096 C ARG A 76 0.912 -10.742 10.922 1.00 0.00 C ATOM 1097 O ARG A 76 0.680 -10.367 9.773 1.00 0.00 O ATOM 1098 CB ARG A 76 3.389 -11.014 10.697 1.00 0.00 C ATOM 1099 CG ARG A 76 4.649 -11.512 11.386 1.00 0.00 C ATOM 1100 CD ARG A 76 5.728 -10.441 11.415 1.00 0.00 C ATOM 1101 NE ARG A 76 5.496 -9.459 12.470 1.00 0.00 N ATOM 1102 CZ ARG A 76 6.407 -8.576 12.865 1.00 0.00 C ATOM 1103 NH1 ARG A 76 7.603 -8.552 12.295 1.00 0.00 N ATOM 1104 NH2 ARG A 76 6.121 -7.714 13.833 1.00 0.00 N ATOM 0 H ARG A 76 1.124 -13.057 10.051 1.00 0.00 H new ATOM 0 HA ARG A 76 2.185 -11.731 12.327 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.460 -11.226 9.630 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.330 -9.931 10.804 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.411 -11.818 12.405 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.024 -12.394 10.867 1.00 0.00 H new ATOM 0 HD2 ARG A 76 6.701 -10.910 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.763 -9.935 10.450 1.00 0.00 H new ATOM 0 HE ARG A 76 4.585 -9.450 12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.827 -9.213 11.551 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.300 -7.873 12.601 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.201 -7.729 14.274 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.821 -7.036 14.136 1.00 0.00 H new ATOM 1118 N PRO A 77 0.138 -10.391 11.959 1.00 0.00 N ATOM 1119 CA PRO A 77 -1.042 -9.535 11.812 1.00 0.00 C ATOM 1120 C PRO A 77 -0.675 -8.095 11.472 1.00 0.00 C ATOM 1121 O PRO A 77 -0.140 -7.367 12.309 1.00 0.00 O ATOM 1122 CB PRO A 77 -1.707 -9.607 13.189 1.00 0.00 C ATOM 1123 CG PRO A 77 -0.598 -9.934 14.128 1.00 0.00 C ATOM 1124 CD PRO A 77 0.356 -10.803 13.356 1.00 0.00 C ATOM 0 HA PRO A 77 -1.685 -9.864 10.996 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.181 -8.661 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.485 -10.370 13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.104 -9.028 14.479 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.973 -10.454 15.009 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.388 -10.641 13.666 1.00 0.00 H new ATOM 0 HD3 PRO A 77 0.142 -11.862 13.501 1.00 0.00 H new ATOM 1132 N ILE A 78 -0.966 -7.689 10.241 1.00 0.00 N ATOM 1133 CA ILE A 78 -0.667 -6.335 9.792 1.00 0.00 C ATOM 1134 C ILE A 78 -1.722 -5.348 10.282 1.00 0.00 C ATOM 1135 O ILE A 78 -2.825 -5.740 10.664 1.00 0.00 O ATOM 1136 CB ILE A 78 -0.580 -6.257 8.257 1.00 0.00 C ATOM 1137 CG1 ILE A 78 -1.975 -6.379 7.638 1.00 0.00 C ATOM 1138 CG2 ILE A 78 0.339 -7.344 7.722 1.00 0.00 C ATOM 1139 CD1 ILE A 78 -2.014 -6.039 6.165 1.00 0.00 C ATOM 0 H ILE A 78 -1.409 -8.279 9.536 1.00 0.00 H new ATOM 0 HA ILE A 78 0.301 -6.068 10.216 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.164 -5.288 7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.338 -7.397 7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.660 -5.721 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.390 -7.275 6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.337 -7.215 8.141 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.050 -8.322 8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.033 -6.147 5.793 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.682 -5.011 6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.355 -6.714 5.618 1.00 0.00 H new ATOM 1151 N THR A 79 -1.376 -4.065 10.266 1.00 0.00 N ATOM 1152 CA THR A 79 -2.293 -3.021 10.708 1.00 0.00 C ATOM 1153 C THR A 79 -2.252 -1.821 9.769 1.00 0.00 C ATOM 1154 O THR A 79 -1.236 -1.134 9.667 1.00 0.00 O ATOM 1155 CB THR A 79 -1.963 -2.552 12.137 1.00 0.00 C ATOM 1156 OG1 THR A 79 -0.566 -2.260 12.247 1.00 0.00 O ATOM 1157 CG2 THR A 79 -2.347 -3.614 13.157 1.00 0.00 C ATOM 0 H THR A 79 -0.468 -3.723 9.952 1.00 0.00 H new ATOM 0 HA THR A 79 -3.294 -3.453 10.698 1.00 0.00 H new ATOM 0 HB THR A 79 -2.539 -1.649 12.342 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.288 -1.703 11.490 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.105 -3.260 14.159 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.417 -3.812 13.091 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.795 -4.531 12.953 1.00 0.00 H new ATOM 1165 N VAL A 80 -3.364 -1.572 9.085 1.00 0.00 N ATOM 1166 CA VAL A 80 -3.456 -0.453 8.155 1.00 0.00 C ATOM 1167 C VAL A 80 -4.177 0.731 8.790 1.00 0.00 C ATOM 1168 O VAL A 80 -5.285 0.592 9.307 1.00 0.00 O ATOM 1169 CB VAL A 80 -4.193 -0.855 6.863 1.00 0.00 C ATOM 1170 CG1 VAL A 80 -4.221 0.306 5.881 1.00 0.00 C ATOM 1171 CG2 VAL A 80 -3.540 -2.078 6.237 1.00 0.00 C ATOM 0 H VAL A 80 -4.214 -2.131 9.158 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.435 -0.163 7.907 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.222 -1.110 7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.745 0.003 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.737 1.153 6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.200 0.595 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.073 -2.349 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.501 -1.853 5.997 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.578 -2.910 6.940 1.00 0.00 H new ATOM 1181 N SER A 81 -3.539 1.897 8.748 1.00 0.00 N ATOM 1182 CA SER A 81 -4.117 3.106 9.323 1.00 0.00 C ATOM 1183 C SER A 81 -3.624 4.347 8.586 1.00 0.00 C ATOM 1184 O SER A 81 -2.427 4.503 8.342 1.00 0.00 O ATOM 1185 CB SER A 81 -3.767 3.208 10.808 1.00 0.00 C ATOM 1186 OG SER A 81 -4.353 2.148 11.545 1.00 0.00 O ATOM 0 H SER A 81 -2.622 2.030 8.322 1.00 0.00 H new ATOM 0 HA SER A 81 -5.200 3.047 9.216 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.684 3.186 10.932 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.113 4.164 11.202 1.00 0.00 H new ATOM 0 HG SER A 81 -4.113 2.235 12.491 1.00 0.00 H new ATOM 1192 N TYR A 82 -4.554 5.227 8.234 1.00 0.00 N ATOM 1193 CA TYR A 82 -4.216 6.454 7.523 1.00 0.00 C ATOM 1194 C TYR A 82 -3.004 7.133 8.154 1.00 0.00 C ATOM 1195 O TYR A 82 -2.981 7.395 9.356 1.00 0.00 O ATOM 1196 CB TYR A 82 -5.408 7.413 7.521 1.00 0.00 C ATOM 1197 CG TYR A 82 -6.338 7.220 6.345 1.00 0.00 C ATOM 1198 CD1 TYR A 82 -5.994 7.680 5.079 1.00 0.00 C ATOM 1199 CD2 TYR A 82 -7.561 6.578 6.499 1.00 0.00 C ATOM 1200 CE1 TYR A 82 -6.841 7.506 4.002 1.00 0.00 C ATOM 1201 CE2 TYR A 82 -8.414 6.399 5.427 1.00 0.00 C ATOM 1202 CZ TYR A 82 -8.050 6.866 4.181 1.00 0.00 C ATOM 1203 OH TYR A 82 -8.896 6.690 3.110 1.00 0.00 O ATOM 0 H TYR A 82 -5.549 5.114 8.430 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.968 6.191 6.495 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.972 7.281 8.445 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.039 8.438 7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.049 8.182 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -7.850 6.213 7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.558 7.869 3.025 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.360 5.896 5.564 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.704 6.221 3.405 1.00 0.00 H new ATOM 1213 N ALA A 83 -1.998 7.415 7.332 1.00 0.00 N ATOM 1214 CA ALA A 83 -0.783 8.066 7.808 1.00 0.00 C ATOM 1215 C ALA A 83 -1.084 9.456 8.358 1.00 0.00 C ATOM 1216 O ALA A 83 -2.023 10.119 7.916 1.00 0.00 O ATOM 1217 CB ALA A 83 0.243 8.150 6.688 1.00 0.00 C ATOM 0 H ALA A 83 -2.000 7.203 6.334 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.372 7.465 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.145 8.638 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.489 7.145 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.169 8.727 5.860 1.00 0.00 H new