USER MOD reduce.3.24.130724 H: found=0, std=0, add=922, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 922 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 29 ASN : amide:sc= -2.07! C(o=-2.1!,f=-4.1!) USER MOD Set 1.2: A 30 ASN : amide:sc= 0 X(o=-2.1,f=-2) USER MOD Single : A 9 HIS : no HD1:sc= -0.0909 X(o=-0.091,f=-0.055) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -60:sc= -0.849 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -113:sc= -5.36! (180deg=-14.1!) USER MOD Single : A 34 TYR OH : rot -28:sc= 0.192 USER MOD Single : A 36 GLN : amide:sc= -2.62 K(o=-2.6,f=-10!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 39 CYS SG : rot 58:sc= -2.21 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -4.93! C(o=-4.9!,f=-7.2!) USER MOD Single : A 44 GLN : amide:sc= -0.701 X(o=-0.7,f=-0.45) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 133:sc= -0.095 USER MOD Single : A 47 ASN : amide:sc= -0.0197 X(o=-0.02,f=-0.48) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 52:sc= 0.133 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.38 K(o=-3.4,f=-2.6) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0667 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.296 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.000545 USER MOD Single : A 74 LYS NZ :NH3+ -133:sc= 0.344 (180deg=-0.559) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -121:sc= 0.0403 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc=-0.00534 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 165:sc= -0.466 USER MOD Single : A 111 ASN : amide:sc= -0.369! C(o=-0.37!,f=-7.3!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 119 LYS NZ :NH3+ -128:sc= -0.114 (180deg=-1.29!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 54:sc= 0.0208 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -9.725 19.668 -2.800 1.00 0.00 N ATOM 60 CA GLY A 7 -8.548 18.957 -2.329 1.00 0.00 C ATOM 61 C GLY A 7 -7.353 19.204 -3.252 1.00 0.00 C ATOM 62 O GLY A 7 -7.385 20.107 -4.087 1.00 0.00 O ATOM 0 HA2 GLY A 7 -8.304 19.281 -1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.759 17.889 -2.280 1.00 0.00 H new ATOM 66 N PRO A 8 -6.301 18.363 -3.067 1.00 0.00 N ATOM 67 CA PRO A 8 -5.097 18.481 -3.873 1.00 0.00 C ATOM 68 C PRO A 8 -5.328 17.937 -5.284 1.00 0.00 C ATOM 69 O PRO A 8 -6.456 17.614 -5.653 1.00 0.00 O ATOM 70 CB PRO A 8 -4.034 17.712 -3.106 1.00 0.00 C ATOM 71 CG PRO A 8 -4.785 16.807 -2.144 1.00 0.00 C ATOM 72 CD PRO A 8 -6.228 17.282 -2.088 1.00 0.00 C ATOM 0 HA PRO A 8 -4.790 19.516 -4.023 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.409 17.129 -3.783 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.373 18.391 -2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.737 15.771 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.332 16.844 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.920 16.477 -2.335 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.491 17.633 -1.090 1.00 0.00 H new ATOM 80 N HIS A 9 -4.240 17.852 -6.036 1.00 0.00 N ATOM 81 CA HIS A 9 -4.309 17.352 -7.399 1.00 0.00 C ATOM 82 C HIS A 9 -2.898 17.252 -7.981 1.00 0.00 C ATOM 83 O HIS A 9 -2.158 18.234 -7.998 1.00 0.00 O ATOM 84 CB HIS A 9 -5.240 18.219 -8.249 1.00 0.00 C ATOM 85 CG HIS A 9 -5.015 19.704 -8.086 1.00 0.00 C ATOM 86 ND1 HIS A 9 -5.855 20.512 -7.339 1.00 0.00 N ATOM 87 CD2 HIS A 9 -4.038 20.517 -8.581 1.00 0.00 C ATOM 88 CE1 HIS A 9 -5.394 21.753 -7.390 1.00 0.00 C ATOM 89 NE2 HIS A 9 -4.268 21.754 -8.160 1.00 0.00 N ATOM 0 H HIS A 9 -3.306 18.121 -5.727 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.738 16.350 -7.401 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.108 17.955 -9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.273 17.988 -7.989 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.216 20.206 -9.209 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.833 22.613 -6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -3.697 22.571 -8.376 1.00 0.00 H new ATOM 97 N GLY A 10 -2.567 16.055 -8.444 1.00 0.00 N ATOM 98 CA GLY A 10 -1.257 15.813 -9.025 1.00 0.00 C ATOM 99 C GLY A 10 -1.013 14.316 -9.220 1.00 0.00 C ATOM 100 O GLY A 10 -1.919 13.580 -9.608 1.00 0.00 O ATOM 0 H GLY A 10 -3.183 15.242 -8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.180 16.326 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.485 16.230 -8.378 1.00 0.00 H new ATOM 104 N THR A 11 0.218 13.909 -8.944 1.00 0.00 N ATOM 105 CA THR A 11 0.593 12.512 -9.084 1.00 0.00 C ATOM 106 C THR A 11 1.101 11.959 -7.751 1.00 0.00 C ATOM 107 O THR A 11 1.748 12.673 -6.985 1.00 0.00 O ATOM 108 CB THR A 11 1.619 12.410 -10.215 1.00 0.00 C ATOM 109 OG1 THR A 11 0.886 12.772 -11.382 1.00 0.00 O ATOM 110 CG2 THR A 11 2.055 10.968 -10.481 1.00 0.00 C ATOM 0 H THR A 11 0.968 14.522 -8.624 1.00 0.00 H new ATOM 0 HA THR A 11 -0.267 11.896 -9.348 1.00 0.00 H new ATOM 0 HB THR A 11 2.492 13.014 -9.969 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.476 12.734 -12.164 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.783 10.952 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.506 10.552 -9.580 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.187 10.371 -10.761 1.00 0.00 H new ATOM 118 N LEU A 12 0.790 10.694 -7.514 1.00 0.00 N ATOM 119 CA LEU A 12 1.207 10.037 -6.287 1.00 0.00 C ATOM 120 C LEU A 12 2.243 8.960 -6.616 1.00 0.00 C ATOM 121 O LEU A 12 2.160 8.313 -7.659 1.00 0.00 O ATOM 122 CB LEU A 12 -0.009 9.508 -5.523 1.00 0.00 C ATOM 123 CG LEU A 12 0.283 8.482 -4.426 1.00 0.00 C ATOM 124 CD1 LEU A 12 0.741 7.152 -5.027 1.00 0.00 C ATOM 125 CD2 LEU A 12 1.292 9.032 -3.415 1.00 0.00 C ATOM 0 H LEU A 12 0.254 10.106 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 12 1.690 10.750 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.527 10.355 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.696 9.059 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.643 8.289 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.942 6.441 -4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.041 6.757 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.649 7.309 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.482 8.283 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.225 9.272 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.889 9.933 -2.952 1.00 0.00 H new ATOM 137 N GLU A 13 3.194 8.802 -5.708 1.00 0.00 N ATOM 138 CA GLU A 13 4.245 7.815 -5.888 1.00 0.00 C ATOM 139 C GLU A 13 4.304 6.876 -4.682 1.00 0.00 C ATOM 140 O GLU A 13 4.825 7.243 -3.630 1.00 0.00 O ATOM 141 CB GLU A 13 5.597 8.490 -6.124 1.00 0.00 C ATOM 142 CG GLU A 13 6.544 7.568 -6.894 1.00 0.00 C ATOM 143 CD GLU A 13 7.998 7.805 -6.479 1.00 0.00 C ATOM 144 OE1 GLU A 13 8.442 8.966 -6.607 1.00 0.00 O ATOM 145 OE2 GLU A 13 8.631 6.819 -6.044 1.00 0.00 O ATOM 0 H GLU A 13 3.259 9.341 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 13 4.012 7.223 -6.773 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.453 9.416 -6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.045 8.760 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.274 6.528 -6.710 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.435 7.741 -7.965 1.00 0.00 H new ATOM 152 N VAL A 14 3.762 5.682 -4.875 1.00 0.00 N ATOM 153 CA VAL A 14 3.746 4.688 -3.815 1.00 0.00 C ATOM 154 C VAL A 14 4.994 3.810 -3.928 1.00 0.00 C ATOM 155 O VAL A 14 5.259 3.232 -4.981 1.00 0.00 O ATOM 156 CB VAL A 14 2.444 3.886 -3.870 1.00 0.00 C ATOM 157 CG1 VAL A 14 2.592 2.550 -3.138 1.00 0.00 C ATOM 158 CG2 VAL A 14 1.277 4.696 -3.302 1.00 0.00 C ATOM 0 H VAL A 14 3.331 5.381 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 14 3.774 5.170 -2.838 1.00 0.00 H new ATOM 0 HB VAL A 14 2.226 3.672 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.653 2.000 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.383 1.964 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.846 2.733 -2.094 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.364 4.103 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.485 4.954 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.150 5.609 -3.884 1.00 0.00 H new ATOM 168 N VAL A 15 5.728 3.737 -2.827 1.00 0.00 N ATOM 169 CA VAL A 15 6.942 2.939 -2.789 1.00 0.00 C ATOM 170 C VAL A 15 6.762 1.792 -1.793 1.00 0.00 C ATOM 171 O VAL A 15 7.135 1.913 -0.627 1.00 0.00 O ATOM 172 CB VAL A 15 8.144 3.829 -2.465 1.00 0.00 C ATOM 173 CG1 VAL A 15 9.442 3.019 -2.462 1.00 0.00 C ATOM 174 CG2 VAL A 15 8.233 5.005 -3.439 1.00 0.00 C ATOM 0 H VAL A 15 5.505 4.217 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 15 7.137 2.495 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 15 8.001 4.234 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.280 3.676 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 15 9.378 2.232 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.594 2.571 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.096 5.622 -3.187 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.341 4.628 -4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.325 5.605 -3.369 1.00 0.00 H new ATOM 184 N LEU A 16 6.191 0.704 -2.289 1.00 0.00 N ATOM 185 CA LEU A 16 5.958 -0.464 -1.457 1.00 0.00 C ATOM 186 C LEU A 16 7.296 -1.129 -1.131 1.00 0.00 C ATOM 187 O LEU A 16 7.755 -2.002 -1.867 1.00 0.00 O ATOM 188 CB LEU A 16 4.950 -1.403 -2.123 1.00 0.00 C ATOM 189 CG LEU A 16 4.944 -2.848 -1.619 1.00 0.00 C ATOM 190 CD1 LEU A 16 4.545 -2.912 -0.143 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.052 -3.731 -2.493 1.00 0.00 C ATOM 0 H LEU A 16 5.883 0.607 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 16 5.508 -0.172 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.952 -0.988 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.147 -1.414 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 16 5.958 -3.240 -1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.549 -3.950 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.256 -2.338 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.546 -2.494 -0.018 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.066 -4.752 -2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.031 -3.350 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.422 -3.721 -3.518 1.00 0.00 H new ATOM 203 N VAL A 17 7.886 -0.691 -0.028 1.00 0.00 N ATOM 204 CA VAL A 17 9.163 -1.233 0.404 1.00 0.00 C ATOM 205 C VAL A 17 8.999 -2.720 0.724 1.00 0.00 C ATOM 206 O VAL A 17 9.187 -3.570 -0.145 1.00 0.00 O ATOM 207 CB VAL A 17 9.702 -0.423 1.584 1.00 0.00 C ATOM 208 CG1 VAL A 17 10.908 -1.118 2.220 1.00 0.00 C ATOM 209 CG2 VAL A 17 10.054 1.003 1.156 1.00 0.00 C ATOM 0 H VAL A 17 7.503 0.033 0.579 1.00 0.00 H new ATOM 0 HA VAL A 17 9.902 -1.152 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 17 8.915 -0.362 2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.272 -0.522 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.612 -2.104 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.700 -1.224 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.435 1.557 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.816 0.972 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.162 1.498 0.771 1.00 0.00 H new ATOM 219 N SER A 18 8.649 -2.989 1.973 1.00 0.00 N ATOM 220 CA SER A 18 8.458 -4.358 2.419 1.00 0.00 C ATOM 221 C SER A 18 7.405 -4.405 3.529 1.00 0.00 C ATOM 222 O SER A 18 6.738 -3.408 3.799 1.00 0.00 O ATOM 223 CB SER A 18 9.773 -4.967 2.909 1.00 0.00 C ATOM 224 OG SER A 18 9.970 -4.759 4.305 1.00 0.00 O ATOM 0 H SER A 18 8.493 -2.281 2.691 1.00 0.00 H new ATOM 0 HA SER A 18 8.110 -4.948 1.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.778 -6.036 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.604 -4.528 2.356 1.00 0.00 H new ATOM 0 HG SER A 18 9.991 -3.797 4.493 1.00 0.00 H new ATOM 230 N ALA A 19 7.289 -5.574 4.141 1.00 0.00 N ATOM 231 CA ALA A 19 6.329 -5.764 5.215 1.00 0.00 C ATOM 232 C ALA A 19 6.860 -6.820 6.187 1.00 0.00 C ATOM 233 O ALA A 19 7.366 -7.858 5.766 1.00 0.00 O ATOM 234 CB ALA A 19 4.971 -6.147 4.624 1.00 0.00 C ATOM 0 H ALA A 19 7.844 -6.399 3.914 1.00 0.00 H new ATOM 0 HA ALA A 19 6.192 -4.839 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.251 -6.290 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.624 -5.352 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.069 -7.073 4.057 1.00 0.00 H new ATOM 240 N LYS A 20 6.727 -6.517 7.470 1.00 0.00 N ATOM 241 CA LYS A 20 7.187 -7.426 8.506 1.00 0.00 C ATOM 242 C LYS A 20 6.015 -7.781 9.424 1.00 0.00 C ATOM 243 O LYS A 20 5.098 -6.981 9.604 1.00 0.00 O ATOM 244 CB LYS A 20 8.389 -6.834 9.244 1.00 0.00 C ATOM 245 CG LYS A 20 9.592 -6.694 8.309 1.00 0.00 C ATOM 246 CD LYS A 20 10.105 -5.253 8.287 1.00 0.00 C ATOM 247 CE LYS A 20 11.135 -5.054 7.174 1.00 0.00 C ATOM 248 NZ LYS A 20 12.385 -4.481 7.720 1.00 0.00 N ATOM 0 H LYS A 20 6.307 -5.654 7.816 1.00 0.00 H new ATOM 0 HA LYS A 20 7.541 -8.358 8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.125 -5.858 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.652 -7.472 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.389 -7.363 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.311 -6.999 7.301 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.270 -4.568 8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.553 -5.008 9.250 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.346 -6.008 6.691 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.729 -4.393 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.073 -4.353 6.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 12.182 -3.561 8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 12.780 -5.126 8.434 1.00 0.00 H new ATOM 262 N GLY A 21 6.084 -8.982 9.980 1.00 0.00 N ATOM 263 CA GLY A 21 5.040 -9.453 10.875 1.00 0.00 C ATOM 264 C GLY A 21 5.474 -9.326 12.337 1.00 0.00 C ATOM 265 O GLY A 21 6.545 -8.796 12.627 1.00 0.00 O ATOM 0 H GLY A 21 6.846 -9.643 9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.129 -8.878 10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.805 -10.493 10.650 1.00 0.00 H new ATOM 269 N LEU A 22 4.618 -9.822 13.219 1.00 0.00 N ATOM 270 CA LEU A 22 4.900 -9.771 14.644 1.00 0.00 C ATOM 271 C LEU A 22 5.873 -10.893 15.008 1.00 0.00 C ATOM 272 O LEU A 22 6.677 -11.315 14.178 1.00 0.00 O ATOM 273 CB LEU A 22 3.598 -9.801 15.448 1.00 0.00 C ATOM 274 CG LEU A 22 2.607 -8.671 15.163 1.00 0.00 C ATOM 275 CD1 LEU A 22 3.271 -7.303 15.329 1.00 0.00 C ATOM 276 CD2 LEU A 22 1.972 -8.836 13.780 1.00 0.00 C ATOM 0 H LEU A 22 3.730 -10.261 12.975 1.00 0.00 H new ATOM 0 HA LEU A 22 5.387 -8.831 14.903 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.099 -10.751 15.258 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.849 -9.779 16.509 1.00 0.00 H new ATOM 0 HG LEU A 22 1.803 -8.729 15.897 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.544 -6.518 15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.636 -7.197 16.351 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.107 -7.217 14.634 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.271 -8.020 13.602 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.751 -8.819 13.018 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.441 -9.787 13.735 1.00 0.00 H new ATOM 288 N GLU A 23 5.769 -11.345 16.249 1.00 0.00 N ATOM 289 CA GLU A 23 6.631 -12.410 16.733 1.00 0.00 C ATOM 290 C GLU A 23 5.883 -13.745 16.719 1.00 0.00 C ATOM 291 O GLU A 23 6.452 -14.776 16.364 1.00 0.00 O ATOM 292 CB GLU A 23 7.161 -12.093 18.132 1.00 0.00 C ATOM 293 CG GLU A 23 6.033 -11.627 19.054 1.00 0.00 C ATOM 294 CD GLU A 23 6.510 -11.541 20.506 1.00 0.00 C ATOM 295 OE1 GLU A 23 6.639 -12.620 21.125 1.00 0.00 O ATOM 296 OE2 GLU A 23 6.735 -10.400 20.963 1.00 0.00 O ATOM 0 H GLU A 23 5.101 -10.993 16.934 1.00 0.00 H new ATOM 0 HA GLU A 23 7.489 -12.489 16.065 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.637 -12.978 18.553 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.926 -11.319 18.068 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.672 -10.652 18.728 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.193 -12.318 18.984 1.00 0.00 H new ATOM 303 N ASP A 24 4.619 -13.683 17.111 1.00 0.00 N ATOM 304 CA ASP A 24 3.787 -14.874 17.149 1.00 0.00 C ATOM 305 C ASP A 24 2.682 -14.752 16.098 1.00 0.00 C ATOM 306 O ASP A 24 1.498 -14.763 16.433 1.00 0.00 O ATOM 307 CB ASP A 24 3.123 -15.039 18.517 1.00 0.00 C ATOM 308 CG ASP A 24 4.091 -15.229 19.687 1.00 0.00 C ATOM 309 OD1 ASP A 24 5.039 -16.025 19.515 1.00 0.00 O ATOM 310 OD2 ASP A 24 3.860 -14.574 20.726 1.00 0.00 O ATOM 0 H ASP A 24 4.150 -12.826 17.405 1.00 0.00 H new ATOM 0 HA ASP A 24 4.423 -15.737 16.951 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.507 -14.161 18.713 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.452 -15.897 18.477 1.00 0.00 H new ATOM 315 N ALA A 25 3.107 -14.638 14.848 1.00 0.00 N ATOM 316 CA ALA A 25 2.168 -14.514 13.747 1.00 0.00 C ATOM 317 C ALA A 25 2.738 -15.219 12.514 1.00 0.00 C ATOM 318 O ALA A 25 3.895 -15.005 12.152 1.00 0.00 O ATOM 319 CB ALA A 25 1.875 -13.035 13.489 1.00 0.00 C ATOM 0 H ALA A 25 4.089 -14.629 14.574 1.00 0.00 H new ATOM 0 HA ALA A 25 1.222 -14.995 13.994 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.170 -12.942 12.663 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.444 -12.588 14.385 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.801 -12.519 13.235 1.00 0.00 H new ATOM 325 N ASP A 26 1.901 -16.044 11.903 1.00 0.00 N ATOM 326 CA ASP A 26 2.308 -16.782 10.719 1.00 0.00 C ATOM 327 C ASP A 26 1.947 -15.973 9.471 1.00 0.00 C ATOM 328 O ASP A 26 1.573 -16.540 8.446 1.00 0.00 O ATOM 329 CB ASP A 26 1.587 -18.128 10.634 1.00 0.00 C ATOM 330 CG ASP A 26 2.445 -19.291 10.131 1.00 0.00 C ATOM 331 OD1 ASP A 26 3.664 -19.256 10.404 1.00 0.00 O ATOM 332 OD2 ASP A 26 1.862 -20.188 9.484 1.00 0.00 O ATOM 0 H ASP A 26 0.943 -16.218 12.205 1.00 0.00 H new ATOM 0 HA ASP A 26 3.383 -16.952 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.203 -18.380 11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.725 -18.021 9.975 1.00 0.00 H new ATOM 337 N PHE A 27 2.072 -14.660 9.599 1.00 0.00 N ATOM 338 CA PHE A 27 1.764 -13.768 8.495 1.00 0.00 C ATOM 339 C PHE A 27 2.973 -13.600 7.572 1.00 0.00 C ATOM 340 O PHE A 27 4.063 -13.256 8.026 1.00 0.00 O ATOM 341 CB PHE A 27 1.410 -12.409 9.103 1.00 0.00 C ATOM 342 CG PHE A 27 1.136 -11.316 8.068 1.00 0.00 C ATOM 343 CD1 PHE A 27 0.307 -11.565 7.019 1.00 0.00 C ATOM 344 CD2 PHE A 27 1.722 -10.096 8.196 1.00 0.00 C ATOM 345 CE1 PHE A 27 0.053 -10.551 6.058 1.00 0.00 C ATOM 346 CE2 PHE A 27 1.468 -9.082 7.235 1.00 0.00 C ATOM 347 CZ PHE A 27 0.639 -9.331 6.186 1.00 0.00 C ATOM 0 H PHE A 27 2.383 -14.193 10.451 1.00 0.00 H new ATOM 0 HA PHE A 27 0.944 -14.176 7.905 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.530 -12.524 9.736 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.227 -12.087 9.748 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.158 -12.534 6.917 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.381 -9.898 9.029 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.606 -10.749 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.933 -8.113 7.337 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.446 -8.560 5.455 1.00 0.00 H new ATOM 357 N LEU A 28 2.739 -13.851 6.292 1.00 0.00 N ATOM 358 CA LEU A 28 3.795 -13.733 5.301 1.00 0.00 C ATOM 359 C LEU A 28 4.854 -14.806 5.560 1.00 0.00 C ATOM 360 O LEU A 28 6.016 -14.637 5.193 1.00 0.00 O ATOM 361 CB LEU A 28 4.354 -12.309 5.281 1.00 0.00 C ATOM 362 CG LEU A 28 3.625 -11.315 4.375 1.00 0.00 C ATOM 363 CD1 LEU A 28 2.132 -11.639 4.294 1.00 0.00 C ATOM 364 CD2 LEU A 28 3.875 -9.875 4.828 1.00 0.00 C ATOM 0 H LEU A 28 1.833 -14.136 5.919 1.00 0.00 H new ATOM 0 HA LEU A 28 3.400 -13.910 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.340 -11.920 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.398 -12.354 4.971 1.00 0.00 H new ATOM 0 HG LEU A 28 4.030 -11.411 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.638 -10.917 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.999 -12.642 3.890 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.694 -11.589 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.346 -9.189 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.514 -9.747 5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.943 -9.662 4.791 1.00 0.00 H new ATOM 376 N ASN A 29 4.415 -15.886 6.190 1.00 0.00 N ATOM 377 CA ASN A 29 5.311 -16.986 6.502 1.00 0.00 C ATOM 378 C ASN A 29 5.884 -17.556 5.203 1.00 0.00 C ATOM 379 O ASN A 29 6.088 -16.823 4.237 1.00 0.00 O ATOM 380 CB ASN A 29 4.570 -18.112 7.226 1.00 0.00 C ATOM 381 CG ASN A 29 5.496 -18.838 8.204 1.00 0.00 C ATOM 382 OD1 ASN A 29 5.996 -19.919 7.940 1.00 0.00 O ATOM 383 ND2 ASN A 29 5.695 -18.185 9.346 1.00 0.00 N ATOM 0 H ASN A 29 3.451 -16.022 6.493 1.00 0.00 H new ATOM 0 HA ASN A 29 6.103 -16.603 7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.716 -17.702 7.765 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.177 -18.821 6.497 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.297 -18.586 10.065 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.245 -17.283 9.503 1.00 0.00 H new ATOM 390 N ASN A 30 6.128 -18.858 5.223 1.00 0.00 N ATOM 391 CA ASN A 30 6.673 -19.535 4.058 1.00 0.00 C ATOM 392 C ASN A 30 5.632 -19.531 2.937 1.00 0.00 C ATOM 393 O ASN A 30 4.991 -20.548 2.678 1.00 0.00 O ATOM 394 CB ASN A 30 7.018 -20.991 4.378 1.00 0.00 C ATOM 395 CG ASN A 30 8.315 -21.083 5.184 1.00 0.00 C ATOM 396 OD1 ASN A 30 8.315 -21.249 6.393 1.00 0.00 O ATOM 397 ND2 ASN A 30 9.418 -20.965 4.450 1.00 0.00 N ATOM 0 H ASN A 30 5.958 -19.462 6.027 1.00 0.00 H new ATOM 0 HA ASN A 30 7.578 -19.008 3.755 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.203 -21.446 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.121 -21.556 3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.334 -21.012 4.895 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.347 -20.828 3.442 1.00 0.00 H new ATOM 404 N MET A 31 5.496 -18.376 2.303 1.00 0.00 N ATOM 405 CA MET A 31 4.544 -18.226 1.216 1.00 0.00 C ATOM 406 C MET A 31 5.043 -17.212 0.185 1.00 0.00 C ATOM 407 O MET A 31 6.177 -16.743 0.270 1.00 0.00 O ATOM 408 CB MET A 31 3.197 -17.764 1.777 1.00 0.00 C ATOM 409 CG MET A 31 3.393 -16.857 2.993 1.00 0.00 C ATOM 410 SD MET A 31 1.809 -16.439 3.704 1.00 0.00 S ATOM 411 CE MET A 31 1.186 -15.337 2.446 1.00 0.00 C ATOM 0 H MET A 31 6.030 -17.535 2.521 1.00 0.00 H new ATOM 0 HA MET A 31 4.430 -19.191 0.722 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.642 -17.230 1.006 1.00 0.00 H new ATOM 0 HB3 MET A 31 2.599 -18.631 2.058 1.00 0.00 H new ATOM 0 HG2 MET A 31 4.013 -17.359 3.736 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.920 -15.949 2.699 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.117 -14.327 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.862 -15.341 1.591 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.198 -15.669 2.128 1.00 0.00 H new ATOM 421 N ASP A 32 4.172 -16.904 -0.765 1.00 0.00 N ATOM 422 CA ASP A 32 4.511 -15.955 -1.811 1.00 0.00 C ATOM 423 C ASP A 32 3.369 -14.948 -1.969 1.00 0.00 C ATOM 424 O ASP A 32 2.704 -14.916 -3.003 1.00 0.00 O ATOM 425 CB ASP A 32 4.707 -16.661 -3.154 1.00 0.00 C ATOM 426 CG ASP A 32 5.727 -17.801 -3.142 1.00 0.00 C ATOM 427 OD1 ASP A 32 5.954 -18.348 -2.041 1.00 0.00 O ATOM 428 OD2 ASP A 32 6.257 -18.100 -4.234 1.00 0.00 O ATOM 0 H ASP A 32 3.232 -17.295 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 32 5.438 -15.457 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.746 -17.057 -3.483 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.018 -15.923 -3.893 1.00 0.00 H new ATOM 433 N PRO A 33 3.173 -14.130 -0.900 1.00 0.00 N ATOM 434 CA PRO A 33 2.124 -13.125 -0.910 1.00 0.00 C ATOM 435 C PRO A 33 2.511 -11.936 -1.793 1.00 0.00 C ATOM 436 O PRO A 33 3.679 -11.771 -2.139 1.00 0.00 O ATOM 437 CB PRO A 33 1.930 -12.743 0.548 1.00 0.00 C ATOM 438 CG PRO A 33 3.188 -13.201 1.269 1.00 0.00 C ATOM 439 CD PRO A 33 3.942 -14.140 0.341 1.00 0.00 C ATOM 0 HA PRO A 33 1.192 -13.495 -1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.788 -11.668 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.044 -13.224 0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.809 -12.345 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.932 -13.708 2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.964 -13.798 0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.005 -15.144 0.760 1.00 0.00 H new ATOM 447 N TYR A 34 1.507 -11.140 -2.132 1.00 0.00 N ATOM 448 CA TYR A 34 1.728 -9.972 -2.968 1.00 0.00 C ATOM 449 C TYR A 34 0.760 -8.845 -2.601 1.00 0.00 C ATOM 450 O TYR A 34 -0.406 -9.096 -2.304 1.00 0.00 O ATOM 451 CB TYR A 34 1.449 -10.422 -4.403 1.00 0.00 C ATOM 452 CG TYR A 34 -0.004 -10.832 -4.655 1.00 0.00 C ATOM 453 CD1 TYR A 34 -0.452 -12.072 -4.245 1.00 0.00 C ATOM 454 CD2 TYR A 34 -0.866 -9.963 -5.292 1.00 0.00 C ATOM 455 CE1 TYR A 34 -1.819 -12.457 -4.483 1.00 0.00 C ATOM 456 CE2 TYR A 34 -2.233 -10.349 -5.529 1.00 0.00 C ATOM 457 CZ TYR A 34 -2.642 -11.577 -5.113 1.00 0.00 C ATOM 458 OH TYR A 34 -3.933 -11.941 -5.337 1.00 0.00 O ATOM 0 H TYR A 34 0.539 -11.281 -1.843 1.00 0.00 H new ATOM 0 HA TYR A 34 2.742 -9.593 -2.839 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.711 -9.612 -5.084 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.100 -11.263 -4.642 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.222 -12.753 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.515 -8.993 -5.613 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.183 -13.424 -4.168 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.918 -9.678 -6.026 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.988 -12.916 -5.425 1.00 0.00 H new ATOM 468 N VAL A 35 1.281 -7.627 -2.635 1.00 0.00 N ATOM 469 CA VAL A 35 0.478 -6.461 -2.310 1.00 0.00 C ATOM 470 C VAL A 35 -0.146 -5.904 -3.592 1.00 0.00 C ATOM 471 O VAL A 35 0.469 -5.950 -4.656 1.00 0.00 O ATOM 472 CB VAL A 35 1.328 -5.432 -1.562 1.00 0.00 C ATOM 473 CG1 VAL A 35 0.483 -4.232 -1.132 1.00 0.00 C ATOM 474 CG2 VAL A 35 2.028 -6.069 -0.361 1.00 0.00 C ATOM 0 H VAL A 35 2.249 -7.423 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.339 -6.734 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 35 2.097 -5.072 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.111 -3.516 -0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.053 -3.756 -2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.318 -4.568 -0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.626 -5.316 0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.282 -6.470 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.677 -6.875 -0.703 1.00 0.00 H new ATOM 484 N GLN A 36 -1.358 -5.389 -3.447 1.00 0.00 N ATOM 485 CA GLN A 36 -2.071 -4.823 -4.579 1.00 0.00 C ATOM 486 C GLN A 36 -2.581 -3.421 -4.239 1.00 0.00 C ATOM 487 O GLN A 36 -3.643 -3.272 -3.637 1.00 0.00 O ATOM 488 CB GLN A 36 -3.220 -5.734 -5.014 1.00 0.00 C ATOM 489 CG GLN A 36 -4.174 -5.000 -5.959 1.00 0.00 C ATOM 490 CD GLN A 36 -5.149 -5.977 -6.621 1.00 0.00 C ATOM 491 OE1 GLN A 36 -4.842 -6.627 -7.607 1.00 0.00 O ATOM 492 NE2 GLN A 36 -6.336 -6.043 -6.026 1.00 0.00 N ATOM 0 H GLN A 36 -1.864 -5.352 -2.562 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.378 -4.742 -5.416 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -2.820 -6.618 -5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -3.766 -6.080 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.731 -4.244 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -3.602 -4.477 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.527 -5.471 -5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.056 -6.666 -6.392 1.00 0.00 H new ATOM 501 N LEU A 37 -1.799 -2.428 -4.638 1.00 0.00 N ATOM 502 CA LEU A 37 -2.158 -1.044 -4.383 1.00 0.00 C ATOM 503 C LEU A 37 -3.382 -0.676 -5.224 1.00 0.00 C ATOM 504 O LEU A 37 -3.642 -1.296 -6.254 1.00 0.00 O ATOM 505 CB LEU A 37 -0.955 -0.127 -4.614 1.00 0.00 C ATOM 506 CG LEU A 37 0.191 -0.259 -3.609 1.00 0.00 C ATOM 507 CD1 LEU A 37 -0.219 -1.130 -2.420 1.00 0.00 C ATOM 508 CD2 LEU A 37 1.459 -0.779 -4.289 1.00 0.00 C ATOM 0 H LEU A 37 -0.918 -2.555 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.436 -0.909 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.561 -0.321 -5.612 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.303 0.906 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 37 0.418 0.733 -3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.614 -1.207 -1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.074 -0.679 -1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.489 -2.125 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.258 -0.864 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.262 -1.758 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.761 -0.086 -5.074 1.00 0.00 H new ATOM 520 N THR A 38 -4.102 0.332 -4.753 1.00 0.00 N ATOM 521 CA THR A 38 -5.293 0.790 -5.449 1.00 0.00 C ATOM 522 C THR A 38 -5.497 2.290 -5.226 1.00 0.00 C ATOM 523 O THR A 38 -5.379 2.776 -4.102 1.00 0.00 O ATOM 524 CB THR A 38 -6.473 -0.061 -4.977 1.00 0.00 C ATOM 525 OG1 THR A 38 -5.991 -1.399 -5.057 1.00 0.00 O ATOM 526 CG2 THR A 38 -7.647 -0.029 -5.957 1.00 0.00 C ATOM 0 H THR A 38 -3.884 0.844 -3.898 1.00 0.00 H new ATOM 0 HA THR A 38 -5.194 0.664 -6.527 1.00 0.00 H new ATOM 0 HB THR A 38 -6.806 0.291 -4.000 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.694 -2.018 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.458 -0.649 -5.574 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.998 0.997 -6.071 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.323 -0.412 -6.925 1.00 0.00 H new ATOM 534 N CYS A 39 -5.800 2.982 -6.314 1.00 0.00 N ATOM 535 CA CYS A 39 -6.022 4.417 -6.251 1.00 0.00 C ATOM 536 C CYS A 39 -7.288 4.742 -7.046 1.00 0.00 C ATOM 537 O CYS A 39 -7.285 4.687 -8.275 1.00 0.00 O ATOM 538 CB CYS A 39 -4.810 5.199 -6.762 1.00 0.00 C ATOM 539 SG CYS A 39 -5.014 6.980 -6.390 1.00 0.00 S ATOM 0 H CYS A 39 -5.897 2.576 -7.245 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.158 4.722 -5.213 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.900 4.823 -6.294 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.699 5.054 -7.837 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.164 7.141 -5.109 1.00 0.00 H new ATOM 545 N ARG A 40 -8.340 5.075 -6.313 1.00 0.00 N ATOM 546 CA ARG A 40 -9.610 5.409 -6.934 1.00 0.00 C ATOM 547 C ARG A 40 -10.223 4.170 -7.590 1.00 0.00 C ATOM 548 O ARG A 40 -11.047 3.486 -6.985 1.00 0.00 O ATOM 549 CB ARG A 40 -9.436 6.503 -7.989 1.00 0.00 C ATOM 550 CG ARG A 40 -9.859 7.867 -7.439 1.00 0.00 C ATOM 551 CD ARG A 40 -11.342 7.871 -7.063 1.00 0.00 C ATOM 552 NE ARG A 40 -12.142 8.452 -8.164 1.00 0.00 N ATOM 553 CZ ARG A 40 -13.452 8.233 -8.337 1.00 0.00 C ATOM 554 NH1 ARG A 40 -14.118 7.445 -7.482 1.00 0.00 N ATOM 555 NH2 ARG A 40 -14.097 8.801 -9.365 1.00 0.00 N ATOM 0 H ARG A 40 -8.339 5.121 -5.294 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.275 5.776 -6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.395 6.543 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.031 6.262 -8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.258 8.112 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.667 8.639 -8.184 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.676 6.854 -6.857 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.493 8.447 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.666 9.057 -8.833 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.627 7.012 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.116 7.278 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.590 9.401 -10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -15.095 8.634 -9.496 1.00 0.00 H new ATOM 569 N THR A 41 -9.796 3.919 -8.819 1.00 0.00 N ATOM 570 CA THR A 41 -10.293 2.775 -9.564 1.00 0.00 C ATOM 571 C THR A 41 -9.150 2.096 -10.323 1.00 0.00 C ATOM 572 O THR A 41 -9.388 1.324 -11.250 1.00 0.00 O ATOM 573 CB THR A 41 -11.424 3.257 -10.474 1.00 0.00 C ATOM 574 OG1 THR A 41 -10.750 3.839 -11.587 1.00 0.00 O ATOM 575 CG2 THR A 41 -12.210 4.420 -9.865 1.00 0.00 C ATOM 0 H THR A 41 -9.112 4.488 -9.317 1.00 0.00 H new ATOM 0 HA THR A 41 -10.697 2.014 -8.896 1.00 0.00 H new ATOM 0 HB THR A 41 -12.102 2.429 -10.680 1.00 0.00 H new ATOM 0 HG1 THR A 41 -11.409 4.176 -12.229 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.001 4.724 -10.551 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.651 4.105 -8.919 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.539 5.261 -9.690 1.00 0.00 H new ATOM 583 N GLN A 42 -7.934 2.409 -9.900 1.00 0.00 N ATOM 584 CA GLN A 42 -6.754 1.839 -10.528 1.00 0.00 C ATOM 585 C GLN A 42 -6.018 0.927 -9.544 1.00 0.00 C ATOM 586 O GLN A 42 -5.499 1.392 -8.530 1.00 0.00 O ATOM 587 CB GLN A 42 -5.829 2.937 -11.055 1.00 0.00 C ATOM 588 CG GLN A 42 -5.197 3.722 -9.903 1.00 0.00 C ATOM 589 CD GLN A 42 -5.301 5.230 -10.145 1.00 0.00 C ATOM 590 OE1 GLN A 42 -4.334 5.967 -10.053 1.00 0.00 O ATOM 591 NE2 GLN A 42 -6.525 5.644 -10.460 1.00 0.00 N ATOM 0 H GLN A 42 -7.740 3.050 -9.130 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.073 1.239 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.046 2.494 -11.670 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.392 3.615 -11.696 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.694 3.465 -8.967 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.150 3.439 -9.796 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.291 4.973 -10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.698 6.633 -10.642 1.00 0.00 H new ATOM 600 N ASP A 43 -5.995 -0.355 -9.878 1.00 0.00 N ATOM 601 CA ASP A 43 -5.331 -1.336 -9.037 1.00 0.00 C ATOM 602 C ASP A 43 -4.052 -1.813 -9.729 1.00 0.00 C ATOM 603 O ASP A 43 -3.987 -1.860 -10.957 1.00 0.00 O ATOM 604 CB ASP A 43 -6.224 -2.555 -8.803 1.00 0.00 C ATOM 605 CG ASP A 43 -7.013 -3.024 -10.027 1.00 0.00 C ATOM 606 OD1 ASP A 43 -6.529 -2.760 -11.149 1.00 0.00 O ATOM 607 OD2 ASP A 43 -8.081 -3.637 -9.814 1.00 0.00 O ATOM 0 H ASP A 43 -6.426 -0.737 -10.720 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.107 -0.864 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.603 -3.379 -8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.927 -2.323 -8.003 1.00 0.00 H new ATOM 612 N GLN A 44 -3.067 -2.154 -8.912 1.00 0.00 N ATOM 613 CA GLN A 44 -1.794 -2.625 -9.430 1.00 0.00 C ATOM 614 C GLN A 44 -1.126 -3.564 -8.423 1.00 0.00 C ATOM 615 O GLN A 44 -0.880 -3.180 -7.281 1.00 0.00 O ATOM 616 CB GLN A 44 -0.876 -1.452 -9.779 1.00 0.00 C ATOM 617 CG GLN A 44 -1.526 -0.538 -10.820 1.00 0.00 C ATOM 618 CD GLN A 44 -0.608 0.635 -11.169 1.00 0.00 C ATOM 619 OE1 GLN A 44 0.604 0.510 -11.236 1.00 0.00 O ATOM 620 NE2 GLN A 44 -1.251 1.779 -11.386 1.00 0.00 N ATOM 0 H GLN A 44 -3.125 -2.114 -7.894 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.981 -3.182 -10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.651 -0.881 -8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.072 -1.829 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.751 -1.109 -11.721 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.474 -0.161 -10.437 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.268 1.814 -11.313 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.727 2.621 -11.625 1.00 0.00 H new ATOM 629 N LYS A 45 -0.851 -4.775 -8.884 1.00 0.00 N ATOM 630 CA LYS A 45 -0.216 -5.771 -8.038 1.00 0.00 C ATOM 631 C LYS A 45 1.304 -5.612 -8.123 1.00 0.00 C ATOM 632 O LYS A 45 1.818 -5.032 -9.078 1.00 0.00 O ATOM 633 CB LYS A 45 -0.708 -7.174 -8.399 1.00 0.00 C ATOM 634 CG LYS A 45 -2.011 -7.503 -7.667 1.00 0.00 C ATOM 635 CD LYS A 45 -2.817 -8.557 -8.428 1.00 0.00 C ATOM 636 CE LYS A 45 -3.238 -8.037 -9.804 1.00 0.00 C ATOM 637 NZ LYS A 45 -2.700 -8.907 -10.874 1.00 0.00 N ATOM 0 H LYS A 45 -1.056 -5.089 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.496 -5.619 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.864 -7.243 -9.476 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.054 -7.909 -8.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.787 -7.866 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.607 -6.597 -7.553 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.221 -9.462 -8.544 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.701 -8.830 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.325 -8.001 -9.869 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.877 -7.018 -9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.995 -8.540 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.661 -8.920 -10.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.065 -9.873 -10.752 1.00 0.00 H new ATOM 651 N SER A 46 1.979 -6.138 -7.112 1.00 0.00 N ATOM 652 CA SER A 46 3.429 -6.062 -7.060 1.00 0.00 C ATOM 653 C SER A 46 4.034 -7.455 -7.252 1.00 0.00 C ATOM 654 O SER A 46 3.324 -8.457 -7.190 1.00 0.00 O ATOM 655 CB SER A 46 3.902 -5.456 -5.738 1.00 0.00 C ATOM 656 OG SER A 46 5.263 -5.037 -5.799 1.00 0.00 O ATOM 0 H SER A 46 1.549 -6.619 -6.322 1.00 0.00 H new ATOM 0 HA SER A 46 3.766 -5.412 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.272 -4.604 -5.484 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.784 -6.189 -4.940 1.00 0.00 H new ATOM 0 HG SER A 46 5.345 -4.135 -5.425 1.00 0.00 H new ATOM 662 N ASN A 47 5.338 -7.472 -7.482 1.00 0.00 N ATOM 663 CA ASN A 47 6.046 -8.725 -7.684 1.00 0.00 C ATOM 664 C ASN A 47 5.655 -9.710 -6.580 1.00 0.00 C ATOM 665 O ASN A 47 5.241 -9.301 -5.496 1.00 0.00 O ATOM 666 CB ASN A 47 7.561 -8.519 -7.618 1.00 0.00 C ATOM 667 CG ASN A 47 8.042 -7.624 -8.762 1.00 0.00 C ATOM 668 OD1 ASN A 47 7.579 -7.708 -9.887 1.00 0.00 O ATOM 669 ND2 ASN A 47 8.996 -6.766 -8.412 1.00 0.00 N ATOM 0 H ASN A 47 5.923 -6.638 -7.533 1.00 0.00 H new ATOM 0 HA ASN A 47 5.777 -9.109 -8.668 1.00 0.00 H new ATOM 0 HB2 ASN A 47 7.829 -8.069 -6.662 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.066 -9.484 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 47 9.385 -6.126 -9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.339 -6.748 -7.451 1.00 0.00 H new ATOM 676 N VAL A 48 5.799 -10.989 -6.894 1.00 0.00 N ATOM 677 CA VAL A 48 5.466 -12.036 -5.943 1.00 0.00 C ATOM 678 C VAL A 48 6.691 -12.342 -5.079 1.00 0.00 C ATOM 679 O VAL A 48 7.760 -12.655 -5.600 1.00 0.00 O ATOM 680 CB VAL A 48 4.933 -13.265 -6.682 1.00 0.00 C ATOM 681 CG1 VAL A 48 5.020 -14.514 -5.803 1.00 0.00 C ATOM 682 CG2 VAL A 48 3.500 -13.034 -7.167 1.00 0.00 C ATOM 0 H VAL A 48 6.142 -11.324 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 48 4.671 -11.706 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 48 5.561 -13.428 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.635 -15.373 -6.352 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.060 -14.695 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.428 -14.365 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.145 -13.923 -7.689 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.854 -12.833 -6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.479 -12.182 -7.846 1.00 0.00 H new ATOM 692 N ALA A 49 6.494 -12.242 -3.772 1.00 0.00 N ATOM 693 CA ALA A 49 7.569 -12.505 -2.831 1.00 0.00 C ATOM 694 C ALA A 49 7.908 -13.997 -2.854 1.00 0.00 C ATOM 695 O ALA A 49 7.442 -14.756 -2.005 1.00 0.00 O ATOM 696 CB ALA A 49 7.159 -12.022 -1.439 1.00 0.00 C ATOM 0 H ALA A 49 5.606 -11.982 -3.343 1.00 0.00 H new ATOM 0 HA ALA A 49 8.468 -11.958 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.966 -12.219 -0.733 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.958 -10.951 -1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.261 -12.551 -1.120 1.00 0.00 H new ATOM 702 N GLU A 50 8.715 -14.373 -3.835 1.00 0.00 N ATOM 703 CA GLU A 50 9.121 -15.761 -3.979 1.00 0.00 C ATOM 704 C GLU A 50 10.184 -16.114 -2.937 1.00 0.00 C ATOM 705 O GLU A 50 11.294 -15.584 -2.973 1.00 0.00 O ATOM 706 CB GLU A 50 9.628 -16.039 -5.396 1.00 0.00 C ATOM 707 CG GLU A 50 8.479 -16.010 -6.405 1.00 0.00 C ATOM 708 CD GLU A 50 9.001 -15.772 -7.824 1.00 0.00 C ATOM 709 OE1 GLU A 50 10.029 -15.071 -7.940 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.360 -16.298 -8.760 1.00 0.00 O ATOM 0 H GLU A 50 9.099 -13.741 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 50 8.250 -16.394 -3.809 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.377 -15.296 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.119 -17.012 -5.426 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.934 -16.953 -6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.774 -15.223 -6.136 1.00 0.00 H new ATOM 717 N GLY A 51 9.808 -17.007 -2.034 1.00 0.00 N ATOM 718 CA GLY A 51 10.715 -17.437 -0.983 1.00 0.00 C ATOM 719 C GLY A 51 11.460 -16.245 -0.380 1.00 0.00 C ATOM 720 O GLY A 51 12.651 -16.063 -0.626 1.00 0.00 O ATOM 0 H GLY A 51 8.887 -17.445 -2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.155 -17.953 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.432 -18.152 -1.386 1.00 0.00 H new ATOM 724 N MET A 52 10.726 -15.463 0.400 1.00 0.00 N ATOM 725 CA MET A 52 11.302 -14.293 1.041 1.00 0.00 C ATOM 726 C MET A 52 11.296 -14.443 2.563 1.00 0.00 C ATOM 727 O MET A 52 12.089 -13.808 3.257 1.00 0.00 O ATOM 728 CB MET A 52 10.503 -13.049 0.646 1.00 0.00 C ATOM 729 CG MET A 52 10.739 -12.689 -0.822 1.00 0.00 C ATOM 730 SD MET A 52 12.450 -12.245 -1.074 1.00 0.00 S ATOM 731 CE MET A 52 12.261 -10.974 -2.312 1.00 0.00 C ATOM 0 H MET A 52 9.738 -15.617 0.602 1.00 0.00 H new ATOM 0 HA MET A 52 12.335 -14.192 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 52 9.441 -13.226 0.814 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.791 -12.211 1.281 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.476 -13.534 -1.459 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.093 -11.860 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.241 -10.584 -2.586 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.778 -11.394 -3.194 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.648 -10.166 -1.913 1.00 0.00 H new ATOM 741 N GLY A 53 10.392 -15.287 3.039 1.00 0.00 N ATOM 742 CA GLY A 53 10.271 -15.528 4.467 1.00 0.00 C ATOM 743 C GLY A 53 9.164 -14.667 5.077 1.00 0.00 C ATOM 744 O GLY A 53 8.197 -14.321 4.399 1.00 0.00 O ATOM 0 H GLY A 53 9.736 -15.813 2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.056 -16.582 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.219 -15.309 4.958 1.00 0.00 H new ATOM 748 N THR A 54 9.342 -14.345 6.350 1.00 0.00 N ATOM 749 CA THR A 54 8.369 -13.531 7.059 1.00 0.00 C ATOM 750 C THR A 54 8.690 -12.045 6.886 1.00 0.00 C ATOM 751 O THR A 54 8.363 -11.232 7.748 1.00 0.00 O ATOM 752 CB THR A 54 8.350 -13.983 8.521 1.00 0.00 C ATOM 753 OG1 THR A 54 9.701 -14.353 8.787 1.00 0.00 O ATOM 754 CG2 THR A 54 7.562 -15.278 8.723 1.00 0.00 C ATOM 0 H THR A 54 10.145 -14.633 6.909 1.00 0.00 H new ATOM 0 HA THR A 54 7.368 -13.665 6.650 1.00 0.00 H new ATOM 0 HB THR A 54 7.918 -13.196 9.139 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.298 -13.621 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.580 -15.554 9.777 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.530 -15.130 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.013 -16.075 8.132 1.00 0.00 H new ATOM 762 N THR A 55 9.326 -11.737 5.765 1.00 0.00 N ATOM 763 CA THR A 55 9.695 -10.363 5.468 1.00 0.00 C ATOM 764 C THR A 55 9.837 -10.164 3.958 1.00 0.00 C ATOM 765 O THR A 55 10.944 -9.982 3.454 1.00 0.00 O ATOM 766 CB THR A 55 10.970 -10.037 6.247 1.00 0.00 C ATOM 767 OG1 THR A 55 11.714 -11.252 6.220 1.00 0.00 O ATOM 768 CG2 THR A 55 10.703 -9.797 7.735 1.00 0.00 C ATOM 0 H THR A 55 9.595 -12.415 5.052 1.00 0.00 H new ATOM 0 HA THR A 55 8.918 -9.667 5.784 1.00 0.00 H new ATOM 0 HB THR A 55 11.442 -9.154 5.816 1.00 0.00 H new ATOM 0 HG1 THR A 55 12.558 -11.129 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.641 -9.570 8.241 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.016 -8.959 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.261 -10.691 8.174 1.00 0.00 H new ATOM 776 N PRO A 56 8.671 -10.206 3.260 1.00 0.00 N ATOM 777 CA PRO A 56 8.655 -10.032 1.818 1.00 0.00 C ATOM 778 C PRO A 56 8.869 -8.565 1.440 1.00 0.00 C ATOM 779 O PRO A 56 8.121 -7.692 1.878 1.00 0.00 O ATOM 780 CB PRO A 56 7.305 -10.570 1.371 1.00 0.00 C ATOM 781 CG PRO A 56 6.434 -10.594 2.617 1.00 0.00 C ATOM 782 CD PRO A 56 7.341 -10.418 3.824 1.00 0.00 C ATOM 0 HA PRO A 56 9.465 -10.566 1.321 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.867 -9.936 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.404 -11.568 0.944 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.691 -9.797 2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.889 -11.535 2.683 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.029 -9.570 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.319 -11.298 4.467 1.00 0.00 H new ATOM 790 N GLU A 57 9.893 -8.339 0.630 1.00 0.00 N ATOM 791 CA GLU A 57 10.215 -6.992 0.189 1.00 0.00 C ATOM 792 C GLU A 57 9.962 -6.852 -1.314 1.00 0.00 C ATOM 793 O GLU A 57 10.299 -7.746 -2.089 1.00 0.00 O ATOM 794 CB GLU A 57 11.660 -6.631 0.538 1.00 0.00 C ATOM 795 CG GLU A 57 11.939 -5.153 0.259 1.00 0.00 C ATOM 796 CD GLU A 57 13.033 -4.617 1.184 1.00 0.00 C ATOM 797 OE1 GLU A 57 14.171 -5.121 1.068 1.00 0.00 O ATOM 798 OE2 GLU A 57 12.707 -3.715 1.986 1.00 0.00 O ATOM 0 H GLU A 57 10.510 -9.066 0.268 1.00 0.00 H new ATOM 0 HA GLU A 57 9.564 -6.293 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.849 -6.848 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.344 -7.250 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.242 -5.026 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.026 -4.575 0.397 1.00 0.00 H new ATOM 805 N TRP A 58 9.372 -5.724 -1.680 1.00 0.00 N ATOM 806 CA TRP A 58 9.071 -5.455 -3.076 1.00 0.00 C ATOM 807 C TRP A 58 9.958 -4.297 -3.537 1.00 0.00 C ATOM 808 O TRP A 58 10.612 -4.387 -4.575 1.00 0.00 O ATOM 809 CB TRP A 58 7.579 -5.180 -3.271 1.00 0.00 C ATOM 810 CG TRP A 58 6.670 -6.328 -2.829 1.00 0.00 C ATOM 811 CD1 TRP A 58 6.251 -7.375 -3.553 1.00 0.00 C ATOM 812 CD2 TRP A 58 6.083 -6.506 -1.522 1.00 0.00 C ATOM 813 NE1 TRP A 58 5.439 -8.210 -2.813 1.00 0.00 N ATOM 814 CE2 TRP A 58 5.334 -7.664 -1.539 1.00 0.00 C ATOM 815 CE3 TRP A 58 6.181 -5.713 -0.365 1.00 0.00 C ATOM 816 CZ2 TRP A 58 4.625 -8.135 -0.427 1.00 0.00 C ATOM 817 CZ3 TRP A 58 5.467 -6.197 0.737 1.00 0.00 C ATOM 818 CH2 TRP A 58 4.708 -7.361 0.737 1.00 0.00 C ATOM 0 H TRP A 58 9.094 -4.985 -1.034 1.00 0.00 H new ATOM 0 HA TRP A 58 9.290 -6.327 -3.693 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.310 -4.283 -2.714 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.394 -4.969 -4.324 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.516 -7.544 -4.586 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.997 -9.069 -3.140 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.761 -4.803 -0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.046 -9.046 -0.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 5.509 -5.625 1.652 1.00 0.00 H new ATOM 0 HH2 TRP A 58 4.185 -7.667 1.631 1.00 0.00 H new ATOM 829 N ASN A 59 9.953 -3.237 -2.742 1.00 0.00 N ATOM 830 CA ASN A 59 10.749 -2.063 -3.056 1.00 0.00 C ATOM 831 C ASN A 59 10.405 -1.580 -4.466 1.00 0.00 C ATOM 832 O ASN A 59 11.290 -1.188 -5.225 1.00 0.00 O ATOM 833 CB ASN A 59 12.245 -2.385 -3.018 1.00 0.00 C ATOM 834 CG ASN A 59 12.805 -2.227 -1.603 1.00 0.00 C ATOM 835 OD1 ASN A 59 12.484 -1.297 -0.881 1.00 0.00 O ATOM 836 ND2 ASN A 59 13.657 -3.184 -1.249 1.00 0.00 N ATOM 0 H ASN A 59 9.410 -3.167 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 59 10.526 -1.297 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.410 -3.405 -3.366 1.00 0.00 H new ATOM 0 HB3 ASN A 59 12.780 -1.725 -3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.086 -3.168 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.882 -3.934 -1.903 1.00 0.00 H new ATOM 843 N GLU A 60 9.117 -1.625 -4.774 1.00 0.00 N ATOM 844 CA GLU A 60 8.645 -1.197 -6.080 1.00 0.00 C ATOM 845 C GLU A 60 8.167 0.255 -6.022 1.00 0.00 C ATOM 846 O GLU A 60 8.300 0.916 -4.993 1.00 0.00 O ATOM 847 CB GLU A 60 7.536 -2.119 -6.591 1.00 0.00 C ATOM 848 CG GLU A 60 8.107 -3.216 -7.491 1.00 0.00 C ATOM 849 CD GLU A 60 8.882 -2.614 -8.665 1.00 0.00 C ATOM 850 OE1 GLU A 60 8.214 -2.044 -9.554 1.00 0.00 O ATOM 851 OE2 GLU A 60 10.126 -2.739 -8.647 1.00 0.00 O ATOM 0 H GLU A 60 8.386 -1.951 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 60 9.476 -1.258 -6.783 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.016 -2.571 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.800 -1.536 -7.144 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.765 -3.863 -6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.297 -3.841 -7.867 1.00 0.00 H new ATOM 858 N THR A 61 7.622 0.711 -7.140 1.00 0.00 N ATOM 859 CA THR A 61 7.124 2.073 -7.230 1.00 0.00 C ATOM 860 C THR A 61 5.887 2.131 -8.129 1.00 0.00 C ATOM 861 O THR A 61 5.966 1.829 -9.319 1.00 0.00 O ATOM 862 CB THR A 61 8.269 2.964 -7.714 1.00 0.00 C ATOM 863 OG1 THR A 61 9.145 3.043 -6.592 1.00 0.00 O ATOM 864 CG2 THR A 61 7.828 4.411 -7.945 1.00 0.00 C ATOM 0 H THR A 61 7.514 0.161 -7.992 1.00 0.00 H new ATOM 0 HA THR A 61 6.797 2.439 -6.257 1.00 0.00 H new ATOM 0 HB THR A 61 8.679 2.558 -8.639 1.00 0.00 H new ATOM 0 HG1 THR A 61 9.918 3.602 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.679 5.000 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.042 4.436 -8.700 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.449 4.829 -7.012 1.00 0.00 H new ATOM 872 N PHE A 62 4.774 2.521 -7.525 1.00 0.00 N ATOM 873 CA PHE A 62 3.523 2.622 -8.257 1.00 0.00 C ATOM 874 C PHE A 62 3.002 4.061 -8.256 1.00 0.00 C ATOM 875 O PHE A 62 2.823 4.659 -7.196 1.00 0.00 O ATOM 876 CB PHE A 62 2.511 1.726 -7.539 1.00 0.00 C ATOM 877 CG PHE A 62 2.987 0.285 -7.341 1.00 0.00 C ATOM 878 CD1 PHE A 62 2.798 -0.635 -8.324 1.00 0.00 C ATOM 879 CD2 PHE A 62 3.600 -0.075 -6.181 1.00 0.00 C ATOM 880 CE1 PHE A 62 3.239 -1.972 -8.141 1.00 0.00 C ATOM 881 CE2 PHE A 62 4.041 -1.412 -5.997 1.00 0.00 C ATOM 882 CZ PHE A 62 3.851 -2.332 -6.981 1.00 0.00 C ATOM 0 H PHE A 62 4.713 2.771 -6.538 1.00 0.00 H new ATOM 0 HA PHE A 62 3.673 2.318 -9.293 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.284 2.160 -6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 62 1.582 1.716 -8.108 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.312 -0.348 -9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.751 0.656 -5.400 1.00 0.00 H new ATOM 0 HE1 PHE A 62 3.089 -2.702 -8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.527 -1.699 -5.076 1.00 0.00 H new ATOM 0 HZ PHE A 62 4.186 -3.349 -6.841 1.00 0.00 H new ATOM 892 N ILE A 63 2.774 4.574 -9.456 1.00 0.00 N ATOM 893 CA ILE A 63 2.278 5.932 -9.607 1.00 0.00 C ATOM 894 C ILE A 63 0.753 5.901 -9.731 1.00 0.00 C ATOM 895 O ILE A 63 0.185 4.925 -10.218 1.00 0.00 O ATOM 896 CB ILE A 63 2.976 6.631 -10.775 1.00 0.00 C ATOM 897 CG1 ILE A 63 4.443 6.207 -10.869 1.00 0.00 C ATOM 898 CG2 ILE A 63 2.823 8.150 -10.675 1.00 0.00 C ATOM 899 CD1 ILE A 63 5.297 6.954 -9.843 1.00 0.00 C ATOM 0 H ILE A 63 2.923 4.074 -10.333 1.00 0.00 H new ATOM 0 HA ILE A 63 2.515 6.525 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 63 2.491 6.319 -11.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.526 5.133 -10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.819 6.405 -11.873 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.328 8.623 -11.517 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.765 8.411 -10.693 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.267 8.500 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 63 6.335 6.634 -9.931 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.231 8.026 -10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.934 6.735 -8.839 1.00 0.00 H new ATOM 911 N PHE A 64 0.133 6.983 -9.281 1.00 0.00 N ATOM 912 CA PHE A 64 -1.315 7.092 -9.335 1.00 0.00 C ATOM 913 C PHE A 64 -1.747 8.546 -9.540 1.00 0.00 C ATOM 914 O PHE A 64 -1.102 9.466 -9.040 1.00 0.00 O ATOM 915 CB PHE A 64 -1.852 6.598 -7.990 1.00 0.00 C ATOM 916 CG PHE A 64 -1.767 5.081 -7.806 1.00 0.00 C ATOM 917 CD1 PHE A 64 -2.202 4.251 -8.792 1.00 0.00 C ATOM 918 CD2 PHE A 64 -1.257 4.564 -6.657 1.00 0.00 C ATOM 919 CE1 PHE A 64 -2.123 2.844 -8.620 1.00 0.00 C ATOM 920 CE2 PHE A 64 -1.178 3.156 -6.486 1.00 0.00 C ATOM 921 CZ PHE A 64 -1.613 2.326 -7.471 1.00 0.00 C ATOM 0 H PHE A 64 0.607 7.791 -8.878 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.702 6.504 -10.168 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.296 7.083 -7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.892 6.908 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.607 4.662 -9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.912 5.223 -5.874 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.468 2.185 -9.402 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.772 2.745 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.553 1.256 -7.341 1.00 0.00 H new ATOM 931 N THR A 65 -2.836 8.707 -10.277 1.00 0.00 N ATOM 932 CA THR A 65 -3.362 10.033 -10.555 1.00 0.00 C ATOM 933 C THR A 65 -4.479 10.380 -9.569 1.00 0.00 C ATOM 934 O THR A 65 -5.527 9.735 -9.559 1.00 0.00 O ATOM 935 CB THR A 65 -3.810 10.067 -12.017 1.00 0.00 C ATOM 936 OG1 THR A 65 -2.595 10.191 -12.750 1.00 0.00 O ATOM 937 CG2 THR A 65 -4.585 11.340 -12.363 1.00 0.00 C ATOM 0 H THR A 65 -3.369 7.941 -10.690 1.00 0.00 H new ATOM 0 HA THR A 65 -2.599 10.799 -10.416 1.00 0.00 H new ATOM 0 HB THR A 65 -4.431 9.196 -12.226 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.793 10.219 -13.709 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.879 11.313 -13.412 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.476 11.405 -11.738 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.953 12.210 -12.186 1.00 0.00 H new ATOM 945 N VAL A 66 -4.218 11.399 -8.763 1.00 0.00 N ATOM 946 CA VAL A 66 -5.188 11.840 -7.776 1.00 0.00 C ATOM 947 C VAL A 66 -5.966 13.035 -8.330 1.00 0.00 C ATOM 948 O VAL A 66 -5.431 13.821 -9.110 1.00 0.00 O ATOM 949 CB VAL A 66 -4.485 12.146 -6.452 1.00 0.00 C ATOM 950 CG1 VAL A 66 -5.501 12.365 -5.329 1.00 0.00 C ATOM 951 CG2 VAL A 66 -3.495 11.038 -6.087 1.00 0.00 C ATOM 0 H VAL A 66 -3.348 11.932 -8.774 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.910 11.050 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.921 13.070 -6.579 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.975 12.581 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.148 13.204 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.105 11.466 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.009 11.281 -5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.028 10.092 -5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.742 10.951 -6.870 1.00 0.00 H new ATOM 961 N SER A 67 -7.217 13.135 -7.904 1.00 0.00 N ATOM 962 CA SER A 67 -8.074 14.221 -8.348 1.00 0.00 C ATOM 963 C SER A 67 -9.433 14.134 -7.651 1.00 0.00 C ATOM 964 O SER A 67 -9.995 15.151 -7.249 1.00 0.00 O ATOM 965 CB SER A 67 -8.254 14.195 -9.867 1.00 0.00 C ATOM 966 OG SER A 67 -9.502 14.755 -10.267 1.00 0.00 O ATOM 0 H SER A 67 -7.657 12.482 -7.256 1.00 0.00 H new ATOM 0 HA SER A 67 -7.596 15.164 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.441 14.748 -10.338 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.188 13.167 -10.222 1.00 0.00 H new ATOM 0 HG SER A 67 -9.578 14.721 -11.243 1.00 0.00 H new ATOM 972 N GLU A 68 -9.922 12.908 -7.529 1.00 0.00 N ATOM 973 CA GLU A 68 -11.205 12.675 -6.887 1.00 0.00 C ATOM 974 C GLU A 68 -11.072 12.815 -5.369 1.00 0.00 C ATOM 975 O GLU A 68 -10.163 13.484 -4.881 1.00 0.00 O ATOM 976 CB GLU A 68 -11.765 11.302 -7.264 1.00 0.00 C ATOM 977 CG GLU A 68 -13.213 11.414 -7.746 1.00 0.00 C ATOM 978 CD GLU A 68 -14.170 10.727 -6.770 1.00 0.00 C ATOM 979 OE1 GLU A 68 -13.771 10.577 -5.595 1.00 0.00 O ATOM 980 OE2 GLU A 68 -15.279 10.368 -7.220 1.00 0.00 O ATOM 0 H GLU A 68 -9.453 12.066 -7.864 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.909 13.428 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.151 10.857 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.715 10.636 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.485 12.464 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.308 10.961 -8.733 1.00 0.00 H new ATOM 987 N GLY A 69 -11.993 12.173 -4.665 1.00 0.00 N ATOM 988 CA GLY A 69 -11.990 12.217 -3.213 1.00 0.00 C ATOM 989 C GLY A 69 -11.106 11.112 -2.632 1.00 0.00 C ATOM 990 O GLY A 69 -11.316 10.673 -1.502 1.00 0.00 O ATOM 0 H GLY A 69 -12.746 11.620 -5.073 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.631 13.189 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.008 12.106 -2.840 1.00 0.00 H new ATOM 994 N THR A 70 -10.135 10.693 -3.431 1.00 0.00 N ATOM 995 CA THR A 70 -9.219 9.647 -3.011 1.00 0.00 C ATOM 996 C THR A 70 -8.036 10.249 -2.249 1.00 0.00 C ATOM 997 O THR A 70 -7.111 10.788 -2.856 1.00 0.00 O ATOM 998 CB THR A 70 -8.802 8.856 -4.252 1.00 0.00 C ATOM 999 OG1 THR A 70 -9.716 7.763 -4.290 1.00 0.00 O ATOM 1000 CG2 THR A 70 -7.433 8.192 -4.092 1.00 0.00 C ATOM 0 H THR A 70 -9.963 11.060 -4.367 1.00 0.00 H new ATOM 0 HA THR A 70 -9.698 8.958 -2.315 1.00 0.00 H new ATOM 0 HB THR A 70 -8.783 9.520 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.241 6.948 -4.557 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.186 7.644 -5.001 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.677 8.956 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.460 7.502 -3.248 1.00 0.00 H new ATOM 1008 N THR A 71 -8.104 10.138 -0.931 1.00 0.00 N ATOM 1009 CA THR A 71 -7.051 10.665 -0.080 1.00 0.00 C ATOM 1010 C THR A 71 -6.446 9.548 0.774 1.00 0.00 C ATOM 1011 O THR A 71 -6.154 9.751 1.951 1.00 0.00 O ATOM 1012 CB THR A 71 -7.639 11.810 0.746 1.00 0.00 C ATOM 1013 OG1 THR A 71 -8.514 11.162 1.665 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.562 12.711 -0.076 1.00 0.00 C ATOM 0 H THR A 71 -8.872 9.691 -0.431 1.00 0.00 H new ATOM 0 HA THR A 71 -6.226 11.062 -0.672 1.00 0.00 H new ATOM 0 HB THR A 71 -6.830 12.407 1.166 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.937 11.832 2.242 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.952 13.507 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.002 13.147 -0.903 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.390 12.121 -0.469 1.00 0.00 H new ATOM 1022 N GLU A 72 -6.277 8.393 0.147 1.00 0.00 N ATOM 1023 CA GLU A 72 -5.712 7.244 0.834 1.00 0.00 C ATOM 1024 C GLU A 72 -5.579 6.063 -0.129 1.00 0.00 C ATOM 1025 O GLU A 72 -6.492 5.783 -0.905 1.00 0.00 O ATOM 1026 CB GLU A 72 -6.556 6.866 2.053 1.00 0.00 C ATOM 1027 CG GLU A 72 -7.715 5.950 1.654 1.00 0.00 C ATOM 1028 CD GLU A 72 -8.754 5.862 2.774 1.00 0.00 C ATOM 1029 OE1 GLU A 72 -8.971 6.904 3.430 1.00 0.00 O ATOM 1030 OE2 GLU A 72 -9.308 4.755 2.948 1.00 0.00 O ATOM 0 H GLU A 72 -6.521 8.228 -0.829 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.717 7.510 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.930 6.366 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.946 7.768 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.185 6.327 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.335 4.954 1.427 1.00 0.00 H new ATOM 1037 N LEU A 73 -4.434 5.401 -0.048 1.00 0.00 N ATOM 1038 CA LEU A 73 -4.169 4.256 -0.902 1.00 0.00 C ATOM 1039 C LEU A 73 -4.499 2.970 -0.142 1.00 0.00 C ATOM 1040 O LEU A 73 -4.237 2.868 1.056 1.00 0.00 O ATOM 1041 CB LEU A 73 -2.736 4.305 -1.434 1.00 0.00 C ATOM 1042 CG LEU A 73 -2.276 3.085 -2.237 1.00 0.00 C ATOM 1043 CD1 LEU A 73 -2.555 3.275 -3.729 1.00 0.00 C ATOM 1044 CD2 LEU A 73 -0.804 2.772 -1.964 1.00 0.00 C ATOM 0 H LEU A 73 -3.679 5.636 0.596 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.812 4.280 -1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.633 5.189 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.060 4.435 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.854 2.221 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.219 2.395 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.625 3.413 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.020 4.153 -4.090 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.503 1.901 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.191 3.628 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.667 2.563 -0.903 1.00 0.00 H new ATOM 1056 N LYS A 74 -5.070 2.020 -0.868 1.00 0.00 N ATOM 1057 CA LYS A 74 -5.439 0.745 -0.277 1.00 0.00 C ATOM 1058 C LYS A 74 -4.430 -0.322 -0.706 1.00 0.00 C ATOM 1059 O LYS A 74 -4.194 -0.514 -1.898 1.00 0.00 O ATOM 1060 CB LYS A 74 -6.888 0.395 -0.620 1.00 0.00 C ATOM 1061 CG LYS A 74 -7.839 0.846 0.491 1.00 0.00 C ATOM 1062 CD LYS A 74 -7.738 2.356 0.719 1.00 0.00 C ATOM 1063 CE LYS A 74 -9.111 3.021 0.606 1.00 0.00 C ATOM 1064 NZ LYS A 74 -10.052 2.438 1.589 1.00 0.00 N ATOM 0 H LYS A 74 -5.286 2.108 -1.861 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.399 0.803 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.168 0.872 -1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.981 -0.681 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.863 0.582 0.227 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.601 0.318 1.415 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.316 2.551 1.705 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.057 2.793 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.017 4.094 0.776 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.503 2.891 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.953 2.218 1.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.645 1.566 1.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.219 3.120 2.356 1.00 0.00 H new ATOM 1078 N ALA A 75 -3.863 -0.988 0.288 1.00 0.00 N ATOM 1079 CA ALA A 75 -2.885 -2.031 0.028 1.00 0.00 C ATOM 1080 C ALA A 75 -3.357 -3.338 0.668 1.00 0.00 C ATOM 1081 O ALA A 75 -3.186 -3.542 1.869 1.00 0.00 O ATOM 1082 CB ALA A 75 -1.516 -1.588 0.549 1.00 0.00 C ATOM 0 H ALA A 75 -4.062 -0.826 1.275 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.786 -2.206 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -0.782 -2.370 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.213 -0.672 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.576 -1.406 1.622 1.00 0.00 H new ATOM 1088 N LYS A 76 -3.941 -4.189 -0.162 1.00 0.00 N ATOM 1089 CA LYS A 76 -4.440 -5.471 0.308 1.00 0.00 C ATOM 1090 C LYS A 76 -3.432 -6.566 -0.047 1.00 0.00 C ATOM 1091 O LYS A 76 -3.084 -6.740 -1.214 1.00 0.00 O ATOM 1092 CB LYS A 76 -5.846 -5.730 -0.235 1.00 0.00 C ATOM 1093 CG LYS A 76 -6.912 -5.226 0.740 1.00 0.00 C ATOM 1094 CD LYS A 76 -8.212 -6.020 0.590 1.00 0.00 C ATOM 1095 CE LYS A 76 -8.715 -6.511 1.949 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.479 -5.445 2.635 1.00 0.00 N ATOM 0 H LYS A 76 -4.080 -4.016 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.539 -5.467 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.965 -5.233 -1.198 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.982 -6.798 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.545 -5.313 1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.105 -4.169 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.972 -5.395 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.048 -6.872 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.346 -7.389 1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.871 -6.817 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.813 -5.795 3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.866 -4.618 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.295 -5.173 2.051 1.00 0.00 H new ATOM 1110 N ILE A 77 -2.990 -7.275 0.982 1.00 0.00 N ATOM 1111 CA ILE A 77 -2.029 -8.348 0.793 1.00 0.00 C ATOM 1112 C ILE A 77 -2.778 -9.657 0.530 1.00 0.00 C ATOM 1113 O ILE A 77 -3.842 -9.893 1.101 1.00 0.00 O ATOM 1114 CB ILE A 77 -1.066 -8.419 1.980 1.00 0.00 C ATOM 1115 CG1 ILE A 77 -0.439 -7.051 2.259 1.00 0.00 C ATOM 1116 CG2 ILE A 77 -0.006 -9.501 1.762 1.00 0.00 C ATOM 1117 CD1 ILE A 77 -1.202 -6.313 3.361 1.00 0.00 C ATOM 0 H ILE A 77 -3.280 -7.127 1.949 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.408 -8.154 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.635 -8.700 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.602 -7.178 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.441 -6.453 1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.666 -9.531 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.493 -10.470 1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.565 -9.275 0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.736 -5.344 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.237 -6.166 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.177 -6.902 4.278 1.00 0.00 H new ATOM 1129 N PHE A 78 -2.192 -10.473 -0.333 1.00 0.00 N ATOM 1130 CA PHE A 78 -2.790 -11.751 -0.679 1.00 0.00 C ATOM 1131 C PHE A 78 -1.717 -12.826 -0.863 1.00 0.00 C ATOM 1132 O PHE A 78 -0.548 -12.602 -0.552 1.00 0.00 O ATOM 1133 CB PHE A 78 -3.531 -11.555 -2.003 1.00 0.00 C ATOM 1134 CG PHE A 78 -4.683 -10.551 -1.928 1.00 0.00 C ATOM 1135 CD1 PHE A 78 -5.926 -10.968 -1.565 1.00 0.00 C ATOM 1136 CD2 PHE A 78 -4.465 -9.242 -2.225 1.00 0.00 C ATOM 1137 CE1 PHE A 78 -6.995 -10.037 -1.495 1.00 0.00 C ATOM 1138 CE2 PHE A 78 -5.534 -8.311 -2.156 1.00 0.00 C ATOM 1139 CZ PHE A 78 -6.777 -8.727 -1.793 1.00 0.00 C ATOM 0 H PHE A 78 -1.309 -10.274 -0.803 1.00 0.00 H new ATOM 0 HA PHE A 78 -3.460 -12.076 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.821 -11.222 -2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.922 -12.517 -2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.099 -12.008 -1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.478 -8.911 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.981 -10.368 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.360 -7.271 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.590 -8.018 -1.741 1.00 0.00 H new ATOM 1149 N ASP A 79 -2.152 -13.971 -1.368 1.00 0.00 N ATOM 1150 CA ASP A 79 -1.244 -15.082 -1.597 1.00 0.00 C ATOM 1151 C ASP A 79 -1.249 -15.441 -3.084 1.00 0.00 C ATOM 1152 O ASP A 79 -2.311 -15.560 -3.694 1.00 0.00 O ATOM 1153 CB ASP A 79 -1.678 -16.320 -0.810 1.00 0.00 C ATOM 1154 CG ASP A 79 -2.795 -16.081 0.208 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -3.826 -15.507 -0.206 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -2.593 -16.477 1.376 1.00 0.00 O ATOM 0 H ASP A 79 -3.122 -14.153 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.250 -14.777 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.007 -17.083 -1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.810 -16.722 -0.287 1.00 0.00 H new ATOM 1161 N LYS A 80 -0.051 -15.604 -3.625 1.00 0.00 N ATOM 1162 CA LYS A 80 0.095 -15.947 -5.030 1.00 0.00 C ATOM 1163 C LYS A 80 -0.919 -17.034 -5.393 1.00 0.00 C ATOM 1164 O LYS A 80 -1.446 -17.049 -6.504 1.00 0.00 O ATOM 1165 CB LYS A 80 1.544 -16.330 -5.340 1.00 0.00 C ATOM 1166 CG LYS A 80 1.607 -17.613 -6.170 1.00 0.00 C ATOM 1167 CD LYS A 80 3.032 -17.882 -6.657 1.00 0.00 C ATOM 1168 CE LYS A 80 3.735 -18.901 -5.758 1.00 0.00 C ATOM 1169 NZ LYS A 80 4.816 -19.588 -6.500 1.00 0.00 N ATOM 0 H LYS A 80 0.828 -15.505 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.124 -15.083 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.030 -15.518 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 80 2.095 -16.467 -4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.258 -18.455 -5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.936 -17.530 -7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 80 3.006 -18.252 -7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.598 -16.951 -6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.148 -18.399 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.014 -19.633 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.635 -20.612 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.845 -19.234 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.728 -19.401 -6.037 1.00 0.00 H new ATOM 1183 N ASP A 81 -1.161 -17.916 -4.435 1.00 0.00 N ATOM 1184 CA ASP A 81 -2.102 -19.004 -4.640 1.00 0.00 C ATOM 1185 C ASP A 81 -3.495 -18.559 -4.189 1.00 0.00 C ATOM 1186 O ASP A 81 -4.220 -19.326 -3.556 1.00 0.00 O ATOM 1187 CB ASP A 81 -1.710 -20.234 -3.820 1.00 0.00 C ATOM 1188 CG ASP A 81 -0.344 -20.831 -4.164 1.00 0.00 C ATOM 1189 OD1 ASP A 81 -0.241 -21.418 -5.263 1.00 0.00 O ATOM 1190 OD2 ASP A 81 0.567 -20.688 -3.319 1.00 0.00 O ATOM 0 H ASP A 81 -0.722 -17.900 -3.515 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.095 -19.260 -5.699 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.717 -19.965 -2.764 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.471 -21.002 -3.958 1.00 0.00 H new ATOM 1195 N VAL A 82 -3.827 -17.323 -4.531 1.00 0.00 N ATOM 1196 CA VAL A 82 -5.120 -16.768 -4.169 1.00 0.00 C ATOM 1197 C VAL A 82 -5.462 -15.620 -5.121 1.00 0.00 C ATOM 1198 O VAL A 82 -4.568 -14.984 -5.678 1.00 0.00 O ATOM 1199 CB VAL A 82 -5.113 -16.343 -2.699 1.00 0.00 C ATOM 1200 CG1 VAL A 82 -6.419 -15.639 -2.326 1.00 0.00 C ATOM 1201 CG2 VAL A 82 -4.855 -17.542 -1.783 1.00 0.00 C ATOM 0 H VAL A 82 -3.223 -16.690 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.902 -17.521 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.298 -15.633 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -6.388 -15.347 -1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.544 -14.751 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.257 -16.316 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.855 -17.213 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.638 -18.286 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.887 -17.982 -2.024 1.00 0.00 H new ATOM 1211 N GLY A 83 -6.757 -15.390 -5.278 1.00 0.00 N ATOM 1212 CA GLY A 83 -7.228 -14.330 -6.154 1.00 0.00 C ATOM 1213 C GLY A 83 -7.584 -13.076 -5.353 1.00 0.00 C ATOM 1214 O GLY A 83 -8.251 -13.161 -4.323 1.00 0.00 O ATOM 0 H GLY A 83 -7.495 -15.919 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.459 -14.091 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.102 -14.672 -6.708 1.00 0.00 H new ATOM 1218 N THR A 84 -7.124 -11.941 -5.857 1.00 0.00 N ATOM 1219 CA THR A 84 -7.386 -10.670 -5.202 1.00 0.00 C ATOM 1220 C THR A 84 -8.789 -10.664 -4.593 1.00 0.00 C ATOM 1221 O THR A 84 -9.004 -10.092 -3.525 1.00 0.00 O ATOM 1222 CB THR A 84 -7.163 -9.555 -6.226 1.00 0.00 C ATOM 1223 OG1 THR A 84 -7.925 -9.966 -7.358 1.00 0.00 O ATOM 1224 CG2 THR A 84 -5.723 -9.514 -6.742 1.00 0.00 C ATOM 0 H THR A 84 -6.571 -11.874 -6.712 1.00 0.00 H new ATOM 0 HA THR A 84 -6.703 -10.506 -4.368 1.00 0.00 H new ATOM 0 HB THR A 84 -7.416 -8.594 -5.777 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.839 -9.299 -8.070 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.619 -8.705 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.042 -9.345 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 84 -5.481 -10.463 -7.221 1.00 0.00 H new ATOM 1232 N GLU A 85 -9.709 -11.306 -5.298 1.00 0.00 N ATOM 1233 CA GLU A 85 -11.086 -11.382 -4.839 1.00 0.00 C ATOM 1234 C GLU A 85 -11.366 -12.755 -4.226 1.00 0.00 C ATOM 1235 O GLU A 85 -12.306 -13.439 -4.629 1.00 0.00 O ATOM 1236 CB GLU A 85 -12.060 -11.081 -5.980 1.00 0.00 C ATOM 1237 CG GLU A 85 -12.013 -9.602 -6.366 1.00 0.00 C ATOM 1238 CD GLU A 85 -12.659 -9.371 -7.734 1.00 0.00 C ATOM 1239 OE1 GLU A 85 -12.023 -9.765 -8.736 1.00 0.00 O ATOM 1240 OE2 GLU A 85 -13.774 -8.806 -7.747 1.00 0.00 O ATOM 0 H GLU A 85 -9.528 -11.778 -6.184 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.235 -10.626 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.812 -11.694 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.073 -11.350 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.530 -9.009 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.978 -9.261 -6.386 1.00 0.00 H new ATOM 1247 N ASP A 86 -10.534 -13.118 -3.261 1.00 0.00 N ATOM 1248 CA ASP A 86 -10.681 -14.397 -2.587 1.00 0.00 C ATOM 1249 C ASP A 86 -10.468 -14.205 -1.084 1.00 0.00 C ATOM 1250 O ASP A 86 -11.399 -14.363 -0.297 1.00 0.00 O ATOM 1251 CB ASP A 86 -9.644 -15.404 -3.087 1.00 0.00 C ATOM 1252 CG ASP A 86 -9.814 -16.827 -2.551 1.00 0.00 C ATOM 1253 OD1 ASP A 86 -10.750 -17.022 -1.745 1.00 0.00 O ATOM 1254 OD2 ASP A 86 -9.005 -17.688 -2.960 1.00 0.00 O ATOM 0 H ASP A 86 -9.755 -12.548 -2.930 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.682 -14.775 -2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.685 -15.435 -4.176 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.651 -15.046 -2.815 1.00 0.00 H new ATOM 1259 N ASP A 87 -9.236 -13.866 -0.732 1.00 0.00 N ATOM 1260 CA ASP A 87 -8.889 -13.651 0.662 1.00 0.00 C ATOM 1261 C ASP A 87 -7.513 -12.987 0.744 1.00 0.00 C ATOM 1262 O ASP A 87 -6.520 -13.552 0.288 1.00 0.00 O ATOM 1263 CB ASP A 87 -8.822 -14.976 1.424 1.00 0.00 C ATOM 1264 CG ASP A 87 -9.355 -14.926 2.857 1.00 0.00 C ATOM 1265 OD1 ASP A 87 -9.128 -13.885 3.511 1.00 0.00 O ATOM 1266 OD2 ASP A 87 -9.976 -15.930 3.267 1.00 0.00 O ATOM 0 H ASP A 87 -8.466 -13.735 -1.388 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.657 -13.018 1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.386 -15.726 0.869 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.785 -15.311 1.450 1.00 0.00 H new ATOM 1271 N ALA A 88 -7.499 -11.799 1.329 1.00 0.00 N ATOM 1272 CA ALA A 88 -6.261 -11.052 1.477 1.00 0.00 C ATOM 1273 C ALA A 88 -5.662 -11.333 2.856 1.00 0.00 C ATOM 1274 O ALA A 88 -6.262 -10.998 3.877 1.00 0.00 O ATOM 1275 CB ALA A 88 -6.532 -9.564 1.251 1.00 0.00 C ATOM 0 H ALA A 88 -8.325 -11.335 1.706 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.532 -11.367 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.603 -9.004 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -6.928 -9.415 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.258 -9.211 1.983 1.00 0.00 H new ATOM 1281 N VAL A 89 -4.487 -11.946 2.843 1.00 0.00 N ATOM 1282 CA VAL A 89 -3.802 -12.276 4.081 1.00 0.00 C ATOM 1283 C VAL A 89 -3.947 -11.113 5.065 1.00 0.00 C ATOM 1284 O VAL A 89 -3.966 -11.320 6.278 1.00 0.00 O ATOM 1285 CB VAL A 89 -2.343 -12.634 3.791 1.00 0.00 C ATOM 1286 CG1 VAL A 89 -2.210 -14.103 3.384 1.00 0.00 C ATOM 1287 CG2 VAL A 89 -1.754 -11.713 2.721 1.00 0.00 C ATOM 0 H VAL A 89 -3.992 -12.223 1.995 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.253 -13.153 4.545 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.773 -12.487 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.163 -14.332 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.572 -14.739 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.800 -14.287 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.716 -11.989 2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.328 -11.813 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.798 -10.680 3.066 1.00 0.00 H new ATOM 1297 N GLY A 90 -4.046 -9.916 4.507 1.00 0.00 N ATOM 1298 CA GLY A 90 -4.190 -8.720 5.320 1.00 0.00 C ATOM 1299 C GLY A 90 -4.331 -7.474 4.443 1.00 0.00 C ATOM 1300 O GLY A 90 -4.318 -7.569 3.217 1.00 0.00 O ATOM 0 H GLY A 90 -4.029 -9.748 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -5.064 -8.817 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.324 -8.613 5.973 1.00 0.00 H new ATOM 1304 N GLU A 91 -4.464 -6.335 5.106 1.00 0.00 N ATOM 1305 CA GLU A 91 -4.608 -5.072 4.403 1.00 0.00 C ATOM 1306 C GLU A 91 -4.030 -3.929 5.239 1.00 0.00 C ATOM 1307 O GLU A 91 -3.679 -4.123 6.402 1.00 0.00 O ATOM 1308 CB GLU A 91 -6.073 -4.806 4.049 1.00 0.00 C ATOM 1309 CG GLU A 91 -6.844 -4.285 5.263 1.00 0.00 C ATOM 1310 CD GLU A 91 -7.278 -2.833 5.056 1.00 0.00 C ATOM 1311 OE1 GLU A 91 -6.373 -1.973 5.000 1.00 0.00 O ATOM 1312 OE2 GLU A 91 -8.505 -2.615 4.959 1.00 0.00 O ATOM 0 H GLU A 91 -4.475 -6.260 6.123 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.047 -5.132 3.470 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.129 -4.079 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.536 -5.724 3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.721 -4.909 5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.220 -4.358 6.153 1.00 0.00 H new ATOM 1319 N ALA A 92 -3.948 -2.763 4.615 1.00 0.00 N ATOM 1320 CA ALA A 92 -3.418 -1.590 5.287 1.00 0.00 C ATOM 1321 C ALA A 92 -3.957 -0.330 4.606 1.00 0.00 C ATOM 1322 O ALA A 92 -4.130 -0.304 3.388 1.00 0.00 O ATOM 1323 CB ALA A 92 -1.890 -1.646 5.284 1.00 0.00 C ATOM 0 H ALA A 92 -4.240 -2.606 3.650 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.741 -1.566 6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.493 -0.765 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.558 -2.544 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.529 -1.669 4.256 1.00 0.00 H new ATOM 1329 N THR A 93 -4.207 0.684 5.421 1.00 0.00 N ATOM 1330 CA THR A 93 -4.723 1.944 4.912 1.00 0.00 C ATOM 1331 C THR A 93 -3.616 3.000 4.882 1.00 0.00 C ATOM 1332 O THR A 93 -3.138 3.434 5.929 1.00 0.00 O ATOM 1333 CB THR A 93 -5.923 2.345 5.772 1.00 0.00 C ATOM 1334 OG1 THR A 93 -6.938 1.414 5.408 1.00 0.00 O ATOM 1335 CG2 THR A 93 -6.502 3.704 5.371 1.00 0.00 C ATOM 0 H THR A 93 -4.062 0.659 6.430 1.00 0.00 H new ATOM 0 HA THR A 93 -5.063 1.845 3.881 1.00 0.00 H new ATOM 0 HB THR A 93 -5.626 2.372 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.752 1.601 5.921 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.351 3.941 6.012 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.737 4.473 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.831 3.667 4.332 1.00 0.00 H new ATOM 1343 N ILE A 94 -3.240 3.382 3.671 1.00 0.00 N ATOM 1344 CA ILE A 94 -2.198 4.379 3.490 1.00 0.00 C ATOM 1345 C ILE A 94 -2.831 5.694 3.029 1.00 0.00 C ATOM 1346 O ILE A 94 -3.180 5.842 1.859 1.00 0.00 O ATOM 1347 CB ILE A 94 -1.113 3.855 2.548 1.00 0.00 C ATOM 1348 CG1 ILE A 94 -0.461 2.591 3.111 1.00 0.00 C ATOM 1349 CG2 ILE A 94 -0.082 4.943 2.241 1.00 0.00 C ATOM 1350 CD1 ILE A 94 -0.406 1.485 2.055 1.00 0.00 C ATOM 0 H ILE A 94 -3.638 3.019 2.805 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.695 4.581 4.436 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.584 3.581 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.547 2.820 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.023 2.243 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.678 4.545 1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.577 5.790 1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.388 5.270 3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.062 0.598 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.418 1.241 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.177 1.827 1.200 1.00 0.00 H new ATOM 1362 N PRO A 95 -2.963 6.639 3.998 1.00 0.00 N ATOM 1363 CA PRO A 95 -3.547 7.937 3.703 1.00 0.00 C ATOM 1364 C PRO A 95 -2.564 8.817 2.929 1.00 0.00 C ATOM 1365 O PRO A 95 -1.383 8.879 3.265 1.00 0.00 O ATOM 1366 CB PRO A 95 -3.923 8.515 5.057 1.00 0.00 C ATOM 1367 CG PRO A 95 -3.119 7.733 6.083 1.00 0.00 C ATOM 1368 CD PRO A 95 -2.560 6.499 5.394 1.00 0.00 C ATOM 0 HA PRO A 95 -4.422 7.868 3.057 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.689 9.578 5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.993 8.415 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.311 8.346 6.483 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -3.749 7.448 6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.475 6.449 5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -2.961 5.585 5.832 1.00 0.00 H new ATOM 1376 N LEU A 96 -3.089 9.477 1.906 1.00 0.00 N ATOM 1377 CA LEU A 96 -2.273 10.351 1.081 1.00 0.00 C ATOM 1378 C LEU A 96 -2.415 11.792 1.577 1.00 0.00 C ATOM 1379 O LEU A 96 -1.868 12.715 0.977 1.00 0.00 O ATOM 1380 CB LEU A 96 -2.622 10.173 -0.397 1.00 0.00 C ATOM 1381 CG LEU A 96 -2.806 8.730 -0.874 1.00 0.00 C ATOM 1382 CD1 LEU A 96 -3.629 8.679 -2.162 1.00 0.00 C ATOM 1383 CD2 LEU A 96 -1.455 8.028 -1.028 1.00 0.00 C ATOM 0 H LEU A 96 -4.070 9.424 1.630 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.220 10.084 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.541 10.722 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.835 10.634 -0.994 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.366 8.187 -0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.745 7.643 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.612 9.116 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.118 9.242 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.613 7.005 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.848 8.563 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.940 8.016 -0.068 1.00 0.00 H new ATOM 1395 N GLU A 97 -3.153 11.938 2.668 1.00 0.00 N ATOM 1396 CA GLU A 97 -3.373 13.251 3.251 1.00 0.00 C ATOM 1397 C GLU A 97 -2.041 13.879 3.663 1.00 0.00 C ATOM 1398 O GLU A 97 -1.828 15.075 3.468 1.00 0.00 O ATOM 1399 CB GLU A 97 -4.332 13.168 4.441 1.00 0.00 C ATOM 1400 CG GLU A 97 -5.509 14.129 4.265 1.00 0.00 C ATOM 1401 CD GLU A 97 -6.397 14.142 5.511 1.00 0.00 C ATOM 1402 OE1 GLU A 97 -6.110 14.968 6.404 1.00 0.00 O ATOM 1403 OE2 GLU A 97 -7.343 13.326 5.542 1.00 0.00 O ATOM 0 H GLU A 97 -3.606 11.170 3.163 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.835 13.889 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.703 12.148 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.798 13.407 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.136 15.134 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.098 13.833 3.397 1.00 0.00 H new ATOM 1410 N PRO A 98 -1.156 13.024 4.240 1.00 0.00 N ATOM 1411 CA PRO A 98 0.150 13.483 4.682 1.00 0.00 C ATOM 1412 C PRO A 98 1.086 13.702 3.491 1.00 0.00 C ATOM 1413 O PRO A 98 1.976 14.549 3.544 1.00 0.00 O ATOM 1414 CB PRO A 98 0.644 12.407 5.635 1.00 0.00 C ATOM 1415 CG PRO A 98 -0.188 11.171 5.336 1.00 0.00 C ATOM 1416 CD PRO A 98 -1.374 11.601 4.487 1.00 0.00 C ATOM 0 HA PRO A 98 0.108 14.451 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.705 12.209 5.484 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.522 12.718 6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 98 0.409 10.427 4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -0.529 10.708 6.262 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.418 11.039 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -2.316 11.429 5.007 1.00 0.00 H new ATOM 1424 N VAL A 99 0.852 12.924 2.444 1.00 0.00 N ATOM 1425 CA VAL A 99 1.662 13.022 1.242 1.00 0.00 C ATOM 1426 C VAL A 99 1.131 14.158 0.366 1.00 0.00 C ATOM 1427 O VAL A 99 1.759 14.527 -0.625 1.00 0.00 O ATOM 1428 CB VAL A 99 1.692 11.674 0.520 1.00 0.00 C ATOM 1429 CG1 VAL A 99 0.549 11.568 -0.492 1.00 0.00 C ATOM 1430 CG2 VAL A 99 3.046 11.443 -0.155 1.00 0.00 C ATOM 0 H VAL A 99 0.112 12.223 2.404 1.00 0.00 H new ATOM 0 HA VAL A 99 2.694 13.262 1.496 1.00 0.00 H new ATOM 0 HB VAL A 99 1.552 10.892 1.266 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.594 10.600 -0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.405 11.666 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.643 12.363 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.040 10.478 -0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.229 12.233 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.834 11.453 0.598 1.00 0.00 H new ATOM 1440 N PHE A 100 -0.020 14.681 0.763 1.00 0.00 N ATOM 1441 CA PHE A 100 -0.642 15.768 0.027 1.00 0.00 C ATOM 1442 C PHE A 100 -0.256 17.124 0.620 1.00 0.00 C ATOM 1443 O PHE A 100 -0.120 18.107 -0.107 1.00 0.00 O ATOM 1444 CB PHE A 100 -2.156 15.582 0.150 1.00 0.00 C ATOM 1445 CG PHE A 100 -2.715 14.441 -0.702 1.00 0.00 C ATOM 1446 CD1 PHE A 100 -1.892 13.748 -1.535 1.00 0.00 C ATOM 1447 CD2 PHE A 100 -4.034 14.120 -0.627 1.00 0.00 C ATOM 1448 CE1 PHE A 100 -2.411 12.689 -2.326 1.00 0.00 C ATOM 1449 CE2 PHE A 100 -4.553 13.061 -1.418 1.00 0.00 C ATOM 1450 CZ PHE A 100 -3.730 12.368 -2.251 1.00 0.00 C ATOM 0 H PHE A 100 -0.538 14.372 1.585 1.00 0.00 H new ATOM 0 HA PHE A 100 -0.313 15.750 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.405 15.397 1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.650 16.511 -0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -0.844 14.003 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.687 14.670 0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.758 12.139 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.601 12.806 -1.358 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.125 11.563 -2.853 1.00 0.00 H new ATOM 1460 N VAL A 101 -0.091 17.134 1.934 1.00 0.00 N ATOM 1461 CA VAL A 101 0.276 18.353 2.633 1.00 0.00 C ATOM 1462 C VAL A 101 1.801 18.453 2.709 1.00 0.00 C ATOM 1463 O VAL A 101 2.357 19.550 2.682 1.00 0.00 O ATOM 1464 CB VAL A 101 -0.394 18.390 4.009 1.00 0.00 C ATOM 1465 CG1 VAL A 101 -1.869 17.998 3.910 1.00 0.00 C ATOM 1466 CG2 VAL A 101 0.347 17.495 5.004 1.00 0.00 C ATOM 0 H VAL A 101 -0.205 16.317 2.533 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.081 19.227 2.088 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.344 19.414 4.379 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.322 18.032 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.387 18.694 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.951 16.988 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.150 17.540 5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.343 16.467 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.376 17.840 5.107 1.00 0.00 H new ATOM 1476 N GLU A 102 2.434 17.293 2.801 1.00 0.00 N ATOM 1477 CA GLU A 102 3.884 17.236 2.880 1.00 0.00 C ATOM 1478 C GLU A 102 4.491 17.197 1.477 1.00 0.00 C ATOM 1479 O GLU A 102 5.534 17.802 1.231 1.00 0.00 O ATOM 1480 CB GLU A 102 4.341 16.033 3.709 1.00 0.00 C ATOM 1481 CG GLU A 102 3.710 16.056 5.102 1.00 0.00 C ATOM 1482 CD GLU A 102 4.712 16.546 6.150 1.00 0.00 C ATOM 1483 OE1 GLU A 102 5.911 16.234 5.978 1.00 0.00 O ATOM 1484 OE2 GLU A 102 4.257 17.220 7.099 1.00 0.00 O ATOM 0 H GLU A 102 1.970 16.385 2.823 1.00 0.00 H new ATOM 0 HA GLU A 102 4.237 18.137 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.069 15.110 3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 102 5.427 16.040 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.835 16.706 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.363 15.057 5.365 1.00 0.00 H new ATOM 1491 N GLY A 103 3.813 16.480 0.592 1.00 0.00 N ATOM 1492 CA GLY A 103 4.273 16.355 -0.780 1.00 0.00 C ATOM 1493 C GLY A 103 5.202 15.150 -0.940 1.00 0.00 C ATOM 1494 O GLY A 103 5.515 14.747 -2.059 1.00 0.00 O ATOM 0 H GLY A 103 2.949 15.980 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.417 16.249 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.797 17.264 -1.076 1.00 0.00 H new ATOM 1498 N SER A 104 5.617 14.609 0.196 1.00 0.00 N ATOM 1499 CA SER A 104 6.504 13.458 0.197 1.00 0.00 C ATOM 1500 C SER A 104 6.523 12.813 1.584 1.00 0.00 C ATOM 1501 O SER A 104 6.725 13.495 2.587 1.00 0.00 O ATOM 1502 CB SER A 104 7.920 13.854 -0.224 1.00 0.00 C ATOM 1503 OG SER A 104 8.656 14.428 0.853 1.00 0.00 O ATOM 0 H SER A 104 5.355 14.947 1.122 1.00 0.00 H new ATOM 0 HA SER A 104 6.128 12.735 -0.527 1.00 0.00 H new ATOM 0 HB2 SER A 104 8.447 12.975 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.868 14.566 -1.048 1.00 0.00 H new ATOM 0 HG SER A 104 9.555 14.666 0.545 1.00 0.00 H new ATOM 1509 N ILE A 105 6.310 11.505 1.597 1.00 0.00 N ATOM 1510 CA ILE A 105 6.300 10.761 2.844 1.00 0.00 C ATOM 1511 C ILE A 105 7.352 9.651 2.779 1.00 0.00 C ATOM 1512 O ILE A 105 7.489 8.980 1.758 1.00 0.00 O ATOM 1513 CB ILE A 105 4.890 10.254 3.155 1.00 0.00 C ATOM 1514 CG1 ILE A 105 3.885 11.407 3.175 1.00 0.00 C ATOM 1515 CG2 ILE A 105 4.870 9.453 4.459 1.00 0.00 C ATOM 1516 CD1 ILE A 105 4.318 12.495 4.161 1.00 0.00 C ATOM 0 H ILE A 105 6.143 10.942 0.763 1.00 0.00 H new ATOM 0 HA ILE A 105 6.571 11.410 3.677 1.00 0.00 H new ATOM 0 HB ILE A 105 4.587 9.577 2.357 1.00 0.00 H new ATOM 0 HG12 ILE A 105 3.794 11.832 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 105 2.900 11.031 3.452 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.856 9.105 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.537 8.596 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.202 10.087 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.586 13.303 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.384 12.072 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.292 12.886 3.867 1.00 0.00 H new ATOM 1528 N PRO A 106 8.087 9.489 3.912 1.00 0.00 N ATOM 1529 CA PRO A 106 9.122 8.472 3.993 1.00 0.00 C ATOM 1530 C PRO A 106 8.511 7.078 4.148 1.00 0.00 C ATOM 1531 O PRO A 106 7.304 6.944 4.347 1.00 0.00 O ATOM 1532 CB PRO A 106 9.981 8.879 5.179 1.00 0.00 C ATOM 1533 CG PRO A 106 9.133 9.839 5.998 1.00 0.00 C ATOM 1534 CD PRO A 106 7.952 10.265 5.141 1.00 0.00 C ATOM 0 HA PRO A 106 9.722 8.410 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 106 10.268 8.009 5.770 1.00 0.00 H new ATOM 0 HB3 PRO A 106 10.903 9.357 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 106 8.787 9.358 6.913 1.00 0.00 H new ATOM 0 HG3 PRO A 106 9.720 10.707 6.297 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.005 10.056 5.639 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.976 11.336 4.938 1.00 0.00 H new ATOM 1542 N PRO A 107 9.394 6.049 4.048 1.00 0.00 N ATOM 1543 CA PRO A 107 8.954 4.670 4.175 1.00 0.00 C ATOM 1544 C PRO A 107 8.659 4.321 5.635 1.00 0.00 C ATOM 1545 O PRO A 107 9.578 4.095 6.421 1.00 0.00 O ATOM 1546 CB PRO A 107 10.081 3.841 3.582 1.00 0.00 C ATOM 1547 CG PRO A 107 11.303 4.746 3.570 1.00 0.00 C ATOM 1548 CD PRO A 107 10.830 6.170 3.813 1.00 0.00 C ATOM 0 HA PRO A 107 8.018 4.477 3.651 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.263 2.947 4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.832 3.507 2.575 1.00 0.00 H new ATOM 0 HG2 PRO A 107 12.011 4.442 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.822 4.674 2.614 1.00 0.00 H new ATOM 0 HD2 PRO A 107 11.335 6.614 4.671 1.00 0.00 H new ATOM 0 HD3 PRO A 107 11.038 6.808 2.954 1.00 0.00 H new ATOM 1556 N THR A 108 7.374 4.288 5.955 1.00 0.00 N ATOM 1557 CA THR A 108 6.946 3.970 7.306 1.00 0.00 C ATOM 1558 C THR A 108 6.138 2.671 7.319 1.00 0.00 C ATOM 1559 O THR A 108 5.552 2.290 6.306 1.00 0.00 O ATOM 1560 CB THR A 108 6.173 5.172 7.853 1.00 0.00 C ATOM 1561 OG1 THR A 108 7.113 5.839 8.690 1.00 0.00 O ATOM 1562 CG2 THR A 108 5.050 4.760 8.807 1.00 0.00 C ATOM 0 H THR A 108 6.614 4.477 5.301 1.00 0.00 H new ATOM 0 HA THR A 108 7.800 3.790 7.959 1.00 0.00 H new ATOM 0 HB THR A 108 5.754 5.742 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 108 6.694 6.632 9.085 1.00 0.00 H new ATOM 0 HG21 THR A 108 4.533 5.650 9.166 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.344 4.117 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 108 5.472 4.219 9.654 1.00 0.00 H new ATOM 1570 N ALA A 109 6.134 2.025 8.476 1.00 0.00 N ATOM 1571 CA ALA A 109 5.408 0.777 8.633 1.00 0.00 C ATOM 1572 C ALA A 109 3.950 1.080 8.986 1.00 0.00 C ATOM 1573 O ALA A 109 3.667 1.630 10.049 1.00 0.00 O ATOM 1574 CB ALA A 109 6.097 -0.085 9.693 1.00 0.00 C ATOM 0 H ALA A 109 6.622 2.343 9.313 1.00 0.00 H new ATOM 0 HA ALA A 109 5.411 0.212 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.552 -1.022 9.811 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.120 -0.297 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.111 0.449 10.643 1.00 0.00 H new ATOM 1580 N TYR A 110 3.064 0.709 8.074 1.00 0.00 N ATOM 1581 CA TYR A 110 1.643 0.934 8.275 1.00 0.00 C ATOM 1582 C TYR A 110 0.976 -0.294 8.898 1.00 0.00 C ATOM 1583 O TYR A 110 1.251 -1.424 8.497 1.00 0.00 O ATOM 1584 CB TYR A 110 1.052 1.171 6.884 1.00 0.00 C ATOM 1585 CG TYR A 110 1.393 2.538 6.287 1.00 0.00 C ATOM 1586 CD1 TYR A 110 0.585 3.625 6.547 1.00 0.00 C ATOM 1587 CD2 TYR A 110 2.510 2.683 5.488 1.00 0.00 C ATOM 1588 CE1 TYR A 110 0.906 4.912 5.985 1.00 0.00 C ATOM 1589 CE2 TYR A 110 2.831 3.969 4.927 1.00 0.00 C ATOM 1590 CZ TYR A 110 2.013 5.020 5.203 1.00 0.00 C ATOM 1591 OH TYR A 110 2.316 6.235 4.672 1.00 0.00 O ATOM 0 H TYR A 110 3.303 0.254 7.193 1.00 0.00 H new ATOM 0 HA TYR A 110 1.479 1.776 8.947 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.411 0.392 6.211 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.032 1.070 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.288 3.511 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 110 3.143 1.832 5.284 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.282 5.771 6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.702 4.097 4.301 1.00 0.00 H new ATOM 0 HH TYR A 110 3.239 6.227 4.343 1.00 0.00 H new ATOM 1601 N ASN A 111 0.111 -0.030 9.867 1.00 0.00 N ATOM 1602 CA ASN A 111 -0.597 -1.100 10.548 1.00 0.00 C ATOM 1603 C ASN A 111 -1.305 -1.977 9.514 1.00 0.00 C ATOM 1604 O ASN A 111 -1.992 -1.468 8.629 1.00 0.00 O ATOM 1605 CB ASN A 111 -1.658 -0.540 11.499 1.00 0.00 C ATOM 1606 CG ASN A 111 -1.105 0.637 12.306 1.00 0.00 C ATOM 1607 OD1 ASN A 111 -0.022 1.140 12.055 1.00 0.00 O ATOM 1608 ND2 ASN A 111 -1.906 1.045 13.285 1.00 0.00 N ATOM 0 H ASN A 111 -0.115 0.909 10.196 1.00 0.00 H new ATOM 0 HA ASN A 111 0.131 -1.676 11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -2.529 -0.217 10.928 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -1.994 -1.324 12.177 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.627 1.824 13.881 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.800 0.579 13.440 1.00 0.00 H new ATOM 1615 N VAL A 112 -1.114 -3.280 9.659 1.00 0.00 N ATOM 1616 CA VAL A 112 -1.726 -4.233 8.749 1.00 0.00 C ATOM 1617 C VAL A 112 -2.668 -5.148 9.533 1.00 0.00 C ATOM 1618 O VAL A 112 -2.222 -5.941 10.361 1.00 0.00 O ATOM 1619 CB VAL A 112 -0.642 -5.000 7.988 1.00 0.00 C ATOM 1620 CG1 VAL A 112 -1.239 -6.192 7.238 1.00 0.00 C ATOM 1621 CG2 VAL A 112 0.118 -4.075 7.035 1.00 0.00 C ATOM 0 H VAL A 112 -0.544 -3.698 10.394 1.00 0.00 H new ATOM 0 HA VAL A 112 -2.325 -3.715 8.000 1.00 0.00 H new ATOM 0 HB VAL A 112 0.070 -5.386 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.448 -6.720 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -1.712 -6.869 7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.983 -5.837 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.882 -4.645 6.507 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -0.577 -3.645 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 112 0.591 -3.275 7.605 1.00 0.00 H new ATOM 1631 N VAL A 113 -3.953 -5.009 9.243 1.00 0.00 N ATOM 1632 CA VAL A 113 -4.962 -5.813 9.911 1.00 0.00 C ATOM 1633 C VAL A 113 -5.649 -6.716 8.884 1.00 0.00 C ATOM 1634 O VAL A 113 -5.453 -6.556 7.681 1.00 0.00 O ATOM 1635 CB VAL A 113 -5.942 -4.908 10.661 1.00 0.00 C ATOM 1636 CG1 VAL A 113 -5.507 -4.717 12.115 1.00 0.00 C ATOM 1637 CG2 VAL A 113 -6.096 -3.561 9.953 1.00 0.00 C ATOM 0 H VAL A 113 -4.319 -4.351 8.554 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.502 -6.460 10.658 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.916 -5.397 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.220 -4.070 12.626 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.473 -5.685 12.615 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.518 -4.260 12.142 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.798 -2.937 10.507 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.128 -3.063 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.472 -3.722 8.943 1.00 0.00 H new ATOM 1647 N LYS A 114 -6.441 -7.646 9.398 1.00 0.00 N ATOM 1648 CA LYS A 114 -7.158 -8.575 8.541 1.00 0.00 C ATOM 1649 C LYS A 114 -8.539 -8.851 9.139 1.00 0.00 C ATOM 1650 O LYS A 114 -8.708 -9.792 9.912 1.00 0.00 O ATOM 1651 CB LYS A 114 -6.327 -9.838 8.305 1.00 0.00 C ATOM 1652 CG LYS A 114 -7.143 -10.901 7.567 1.00 0.00 C ATOM 1653 CD LYS A 114 -7.770 -10.327 6.296 1.00 0.00 C ATOM 1654 CE LYS A 114 -8.562 -11.398 5.543 1.00 0.00 C ATOM 1655 NZ LYS A 114 -9.470 -10.774 4.556 1.00 0.00 N ATOM 0 H LYS A 114 -6.602 -7.776 10.397 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.318 -8.138 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.438 -9.590 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.984 -10.236 9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -6.501 -11.744 7.311 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.926 -11.283 8.222 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.428 -9.497 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.989 -9.926 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.876 -12.077 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -9.138 -11.996 6.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -10.000 -11.515 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -10.136 -10.144 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.913 -10.223 3.872 1.00 0.00 H new ATOM 1669 N ASP A 115 -9.492 -8.013 8.757 1.00 0.00 N ATOM 1670 CA ASP A 115 -10.853 -8.155 9.245 1.00 0.00 C ATOM 1671 C ASP A 115 -10.999 -7.396 10.566 1.00 0.00 C ATOM 1672 O ASP A 115 -12.105 -7.026 10.955 1.00 0.00 O ATOM 1673 CB ASP A 115 -11.195 -9.624 9.505 1.00 0.00 C ATOM 1674 CG ASP A 115 -12.663 -9.994 9.287 1.00 0.00 C ATOM 1675 OD1 ASP A 115 -13.339 -9.234 8.561 1.00 0.00 O ATOM 1676 OD2 ASP A 115 -13.077 -11.030 9.852 1.00 0.00 O ATOM 0 H ASP A 115 -9.348 -7.233 8.115 1.00 0.00 H new ATOM 0 HA ASP A 115 -11.526 -7.756 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -10.579 -10.245 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -10.923 -9.869 10.532 1.00 0.00 H new ATOM 1681 N GLU A 116 -9.865 -7.187 11.219 1.00 0.00 N ATOM 1682 CA GLU A 116 -9.852 -6.478 12.487 1.00 0.00 C ATOM 1683 C GLU A 116 -8.613 -6.863 13.298 1.00 0.00 C ATOM 1684 O GLU A 116 -8.196 -6.125 14.189 1.00 0.00 O ATOM 1685 CB GLU A 116 -11.132 -6.750 13.280 1.00 0.00 C ATOM 1686 CG GLU A 116 -11.530 -8.225 13.190 1.00 0.00 C ATOM 1687 CD GLU A 116 -11.614 -8.856 14.581 1.00 0.00 C ATOM 1688 OE1 GLU A 116 -10.539 -9.219 15.105 1.00 0.00 O ATOM 1689 OE2 GLU A 116 -12.752 -8.963 15.088 1.00 0.00 O ATOM 0 H GLU A 116 -8.949 -7.496 10.894 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.810 -5.408 12.282 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.983 -6.473 14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.941 -6.127 12.897 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -12.493 -8.316 12.687 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.802 -8.766 12.585 1.00 0.00 H new ATOM 1696 N GLU A 117 -8.059 -8.018 12.959 1.00 0.00 N ATOM 1697 CA GLU A 117 -6.876 -8.510 13.644 1.00 0.00 C ATOM 1698 C GLU A 117 -5.611 -7.975 12.969 1.00 0.00 C ATOM 1699 O GLU A 117 -5.523 -7.944 11.742 1.00 0.00 O ATOM 1700 CB GLU A 117 -6.866 -10.039 13.694 1.00 0.00 C ATOM 1701 CG GLU A 117 -7.746 -10.556 14.834 1.00 0.00 C ATOM 1702 CD GLU A 117 -8.711 -11.634 14.336 1.00 0.00 C ATOM 1703 OE1 GLU A 117 -8.295 -12.813 14.338 1.00 0.00 O ATOM 1704 OE2 GLU A 117 -9.843 -11.255 13.965 1.00 0.00 O ATOM 0 H GLU A 117 -8.408 -8.627 12.219 1.00 0.00 H new ATOM 0 HA GLU A 117 -6.898 -8.147 14.671 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -7.222 -10.440 12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.845 -10.395 13.828 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -7.118 -10.963 15.627 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -8.310 -9.730 15.266 1.00 0.00 H new ATOM 1711 N TYR A 118 -4.662 -7.568 13.800 1.00 0.00 N ATOM 1712 CA TYR A 118 -3.406 -7.037 13.298 1.00 0.00 C ATOM 1713 C TYR A 118 -2.484 -8.163 12.826 1.00 0.00 C ATOM 1714 O TYR A 118 -2.012 -8.963 13.633 1.00 0.00 O ATOM 1715 CB TYR A 118 -2.751 -6.318 14.479 1.00 0.00 C ATOM 1716 CG TYR A 118 -1.499 -5.521 14.106 1.00 0.00 C ATOM 1717 CD1 TYR A 118 -1.622 -4.270 13.538 1.00 0.00 C ATOM 1718 CD2 TYR A 118 -0.247 -6.054 14.337 1.00 0.00 C ATOM 1719 CE1 TYR A 118 -0.444 -3.519 13.187 1.00 0.00 C ATOM 1720 CE2 TYR A 118 0.931 -5.304 13.986 1.00 0.00 C ATOM 1721 CZ TYR A 118 0.774 -4.074 13.428 1.00 0.00 C ATOM 1722 OH TYR A 118 1.887 -3.365 13.097 1.00 0.00 O ATOM 0 H TYR A 118 -4.738 -7.595 14.817 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.580 -6.375 12.450 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.479 -5.642 14.929 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.488 -7.054 15.239 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.602 -3.854 13.356 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -0.151 -7.034 14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -0.526 -2.538 12.743 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.917 -5.709 14.162 1.00 0.00 H new ATOM 0 HH TYR A 118 2.686 -3.884 13.326 1.00 0.00 H new ATOM 1732 N LYS A 119 -2.254 -8.189 11.522 1.00 0.00 N ATOM 1733 CA LYS A 119 -1.397 -9.203 10.933 1.00 0.00 C ATOM 1734 C LYS A 119 0.066 -8.788 11.099 1.00 0.00 C ATOM 1735 O LYS A 119 0.931 -9.629 11.337 1.00 0.00 O ATOM 1736 CB LYS A 119 -1.800 -9.468 9.481 1.00 0.00 C ATOM 1737 CG LYS A 119 -3.295 -9.773 9.373 1.00 0.00 C ATOM 1738 CD LYS A 119 -3.649 -11.056 10.128 1.00 0.00 C ATOM 1739 CE LYS A 119 -4.373 -10.740 11.438 1.00 0.00 C ATOM 1740 NZ LYS A 119 -4.212 -11.852 12.401 1.00 0.00 N ATOM 0 H LYS A 119 -2.647 -7.523 10.856 1.00 0.00 H new ATOM 0 HA LYS A 119 -1.520 -10.153 11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.557 -8.600 8.868 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.225 -10.306 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.870 -8.939 9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.574 -9.875 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.280 -11.688 9.503 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.741 -11.621 10.338 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.976 -9.820 11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.432 -10.570 11.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.146 -12.141 12.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.757 -12.658 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.620 -11.539 13.197 1.00 0.00 H new ATOM 1754 N GLY A 120 0.298 -7.490 10.967 1.00 0.00 N ATOM 1755 CA GLY A 120 1.641 -6.952 11.100 1.00 0.00 C ATOM 1756 C GLY A 120 1.694 -5.491 10.648 1.00 0.00 C ATOM 1757 O GLY A 120 0.767 -4.725 10.903 1.00 0.00 O ATOM 0 H GLY A 120 -0.422 -6.795 10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 120 1.966 -7.027 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 120 2.335 -7.546 10.505 1.00 0.00 H new ATOM 1761 N GLU A 121 2.789 -5.150 9.984 1.00 0.00 N ATOM 1762 CA GLU A 121 2.975 -3.795 9.494 1.00 0.00 C ATOM 1763 C GLU A 121 3.543 -3.817 8.073 1.00 0.00 C ATOM 1764 O GLU A 121 4.379 -4.658 7.748 1.00 0.00 O ATOM 1765 CB GLU A 121 3.878 -2.992 10.433 1.00 0.00 C ATOM 1766 CG GLU A 121 5.140 -3.782 10.789 1.00 0.00 C ATOM 1767 CD GLU A 121 5.734 -3.298 12.113 1.00 0.00 C ATOM 1768 OE1 GLU A 121 5.192 -3.708 13.162 1.00 0.00 O ATOM 1769 OE2 GLU A 121 6.717 -2.528 12.046 1.00 0.00 O ATOM 0 H GLU A 121 3.556 -5.789 9.774 1.00 0.00 H new ATOM 0 HA GLU A 121 2.003 -3.302 9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.156 -2.050 9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.332 -2.742 11.343 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.901 -4.843 10.860 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.878 -3.673 9.994 1.00 0.00 H new ATOM 1776 N ILE A 122 3.065 -2.883 7.265 1.00 0.00 N ATOM 1777 CA ILE A 122 3.514 -2.785 5.886 1.00 0.00 C ATOM 1778 C ILE A 122 4.291 -1.480 5.699 1.00 0.00 C ATOM 1779 O ILE A 122 3.754 -0.396 5.923 1.00 0.00 O ATOM 1780 CB ILE A 122 2.333 -2.941 4.926 1.00 0.00 C ATOM 1781 CG1 ILE A 122 2.815 -3.050 3.478 1.00 0.00 C ATOM 1782 CG2 ILE A 122 1.324 -1.806 5.109 1.00 0.00 C ATOM 1783 CD1 ILE A 122 1.635 -3.034 2.504 1.00 0.00 C ATOM 0 H ILE A 122 2.371 -2.187 7.538 1.00 0.00 H new ATOM 0 HA ILE A 122 4.198 -3.600 5.649 1.00 0.00 H new ATOM 0 HB ILE A 122 1.818 -3.871 5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 122 3.489 -2.223 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 122 3.385 -3.970 3.349 1.00 0.00 H new ATOM 0 HG21 ILE A 122 0.495 -1.941 4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 122 0.947 -1.816 6.132 1.00 0.00 H new ATOM 0 HG23 ILE A 122 1.811 -0.851 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 122 2.006 -3.113 1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.976 -3.876 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 122 1.081 -2.102 2.618 1.00 0.00 H new ATOM 1795 N TRP A 123 5.543 -1.628 5.291 1.00 0.00 N ATOM 1796 CA TRP A 123 6.399 -0.475 5.072 1.00 0.00 C ATOM 1797 C TRP A 123 6.063 0.109 3.698 1.00 0.00 C ATOM 1798 O TRP A 123 6.306 -0.526 2.673 1.00 0.00 O ATOM 1799 CB TRP A 123 7.875 -0.852 5.216 1.00 0.00 C ATOM 1800 CG TRP A 123 8.322 -1.071 6.662 1.00 0.00 C ATOM 1801 CD1 TRP A 123 7.978 -2.066 7.491 1.00 0.00 C ATOM 1802 CD2 TRP A 123 9.217 -0.231 7.422 1.00 0.00 C ATOM 1803 NE1 TRP A 123 8.583 -1.930 8.724 1.00 0.00 N ATOM 1804 CE2 TRP A 123 9.360 -0.779 8.681 1.00 0.00 C ATOM 1805 CE3 TRP A 123 9.884 0.952 7.057 1.00 0.00 C ATOM 1806 CZ2 TRP A 123 10.165 -0.211 9.676 1.00 0.00 C ATOM 1807 CZ3 TRP A 123 10.684 1.506 8.064 1.00 0.00 C ATOM 1808 CH2 TRP A 123 10.838 0.968 9.336 1.00 0.00 C ATOM 0 H TRP A 123 5.985 -2.529 5.106 1.00 0.00 H new ATOM 0 HA TRP A 123 6.218 0.288 5.829 1.00 0.00 H new ATOM 0 HB2 TRP A 123 8.064 -1.762 4.646 1.00 0.00 H new ATOM 0 HB3 TRP A 123 8.485 -0.065 4.773 1.00 0.00 H new ATOM 0 HD1 TRP A 123 7.311 -2.873 7.227 1.00 0.00 H new ATOM 0 HE1 TRP A 123 8.479 -2.559 9.520 1.00 0.00 H new ATOM 0 HE3 TRP A 123 9.787 1.398 6.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.261 -0.659 10.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 11.219 2.416 7.836 1.00 0.00 H new ATOM 0 HH2 TRP A 123 11.474 1.457 10.059 1.00 0.00 H new ATOM 1819 N VAL A 124 5.509 1.313 3.721 1.00 0.00 N ATOM 1820 CA VAL A 124 5.137 1.989 2.490 1.00 0.00 C ATOM 1821 C VAL A 124 5.721 3.403 2.493 1.00 0.00 C ATOM 1822 O VAL A 124 6.073 3.931 3.548 1.00 0.00 O ATOM 1823 CB VAL A 124 3.616 1.971 2.322 1.00 0.00 C ATOM 1824 CG1 VAL A 124 3.204 2.612 0.996 1.00 0.00 C ATOM 1825 CG2 VAL A 124 3.068 0.547 2.437 1.00 0.00 C ATOM 0 H VAL A 124 5.309 1.837 4.573 1.00 0.00 H new ATOM 0 HA VAL A 124 5.552 1.467 1.628 1.00 0.00 H new ATOM 0 HB VAL A 124 3.183 2.562 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.118 2.586 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.546 3.647 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.653 2.060 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.985 0.563 2.314 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.512 -0.078 1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.316 0.140 3.417 1.00 0.00 H new ATOM 1835 N ALA A 125 5.807 3.976 1.302 1.00 0.00 N ATOM 1836 CA ALA A 125 6.343 5.319 1.154 1.00 0.00 C ATOM 1837 C ALA A 125 5.664 6.006 -0.032 1.00 0.00 C ATOM 1838 O ALA A 125 5.810 5.571 -1.173 1.00 0.00 O ATOM 1839 CB ALA A 125 7.863 5.247 0.996 1.00 0.00 C ATOM 0 H ALA A 125 5.515 3.535 0.430 1.00 0.00 H new ATOM 0 HA ALA A 125 6.136 5.916 2.042 1.00 0.00 H new ATOM 0 HB1 ALA A 125 8.265 6.254 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 125 8.299 4.777 1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 125 8.109 4.658 0.112 1.00 0.00 H new ATOM 1845 N LEU A 126 4.937 7.070 0.278 1.00 0.00 N ATOM 1846 CA LEU A 126 4.236 7.822 -0.748 1.00 0.00 C ATOM 1847 C LEU A 126 4.976 9.136 -1.007 1.00 0.00 C ATOM 1848 O LEU A 126 5.483 9.760 -0.077 1.00 0.00 O ATOM 1849 CB LEU A 126 2.767 8.009 -0.366 1.00 0.00 C ATOM 1850 CG LEU A 126 2.093 6.814 0.312 1.00 0.00 C ATOM 1851 CD1 LEU A 126 2.488 5.503 -0.369 1.00 0.00 C ATOM 1852 CD2 LEU A 126 2.392 6.794 1.812 1.00 0.00 C ATOM 0 H LEU A 126 4.819 7.429 1.225 1.00 0.00 H new ATOM 0 HA LEU A 126 4.229 7.269 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.692 8.869 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.206 8.254 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 126 1.014 6.922 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.995 4.670 0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.182 5.530 -1.415 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.569 5.374 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.901 5.935 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.468 6.722 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.020 7.711 2.269 1.00 0.00 H new ATOM 1864 N SER A 127 5.014 9.516 -2.276 1.00 0.00 N ATOM 1865 CA SER A 127 5.684 10.745 -2.669 1.00 0.00 C ATOM 1866 C SER A 127 4.842 11.491 -3.705 1.00 0.00 C ATOM 1867 O SER A 127 5.038 11.322 -4.908 1.00 0.00 O ATOM 1868 CB SER A 127 7.080 10.457 -3.226 1.00 0.00 C ATOM 1869 OG SER A 127 8.093 10.615 -2.236 1.00 0.00 O ATOM 0 H SER A 127 4.592 8.995 -3.045 1.00 0.00 H new ATOM 0 HA SER A 127 5.798 11.371 -1.784 1.00 0.00 H new ATOM 0 HB2 SER A 127 7.111 9.440 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.282 11.127 -4.062 1.00 0.00 H new ATOM 0 HG SER A 127 8.969 10.421 -2.630 1.00 0.00 H new ATOM 1875 N PHE A 128 3.922 12.301 -3.201 1.00 0.00 N ATOM 1876 CA PHE A 128 3.050 13.074 -4.069 1.00 0.00 C ATOM 1877 C PHE A 128 3.859 14.025 -4.954 1.00 0.00 C ATOM 1878 O PHE A 128 5.026 14.296 -4.675 1.00 0.00 O ATOM 1879 CB PHE A 128 2.132 13.896 -3.162 1.00 0.00 C ATOM 1880 CG PHE A 128 0.997 14.606 -3.904 1.00 0.00 C ATOM 1881 CD1 PHE A 128 0.118 13.885 -4.650 1.00 0.00 C ATOM 1882 CD2 PHE A 128 0.869 15.957 -3.818 1.00 0.00 C ATOM 1883 CE1 PHE A 128 -0.935 14.543 -5.338 1.00 0.00 C ATOM 1884 CE2 PHE A 128 -0.184 16.615 -4.506 1.00 0.00 C ATOM 1885 CZ PHE A 128 -1.064 15.895 -5.252 1.00 0.00 C ATOM 0 H PHE A 128 3.762 12.439 -2.203 1.00 0.00 H new ATOM 0 HA PHE A 128 2.487 12.406 -4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 128 1.703 13.239 -2.406 1.00 0.00 H new ATOM 0 HB3 PHE A 128 2.730 14.640 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.221 12.812 -4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 128 1.568 16.529 -3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.634 13.971 -5.930 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.286 17.688 -4.437 1.00 0.00 H new ATOM 0 HZ PHE A 128 -1.865 16.396 -5.776 1.00 0.00 H new ATOM 1895 N LYS A 129 3.206 14.505 -6.002 1.00 0.00 N ATOM 1896 CA LYS A 129 3.850 15.420 -6.929 1.00 0.00 C ATOM 1897 C LYS A 129 2.808 16.395 -7.483 1.00 0.00 C ATOM 1898 O LYS A 129 2.178 16.122 -8.503 1.00 0.00 O ATOM 1899 CB LYS A 129 4.603 14.644 -8.011 1.00 0.00 C ATOM 1900 CG LYS A 129 5.914 14.075 -7.466 1.00 0.00 C ATOM 1901 CD LYS A 129 6.611 13.203 -8.513 1.00 0.00 C ATOM 1902 CE LYS A 129 8.106 13.519 -8.581 1.00 0.00 C ATOM 1903 NZ LYS A 129 8.597 13.401 -9.973 1.00 0.00 N ATOM 0 H LYS A 129 2.238 14.278 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 129 4.603 16.017 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.977 13.833 -8.384 1.00 0.00 H new ATOM 0 HB3 LYS A 129 4.811 15.300 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 129 6.573 14.891 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 129 5.715 13.486 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 129 6.469 12.150 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 129 6.156 13.367 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.288 14.527 -8.209 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.658 12.836 -7.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 9.614 13.619 -10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.441 12.431 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.082 14.070 -10.581 1.00 0.00 H new ATOM 1917 N PRO A 130 2.657 17.542 -6.767 1.00 0.00 N ATOM 1918 CA PRO A 130 1.703 18.558 -7.177 1.00 0.00 C ATOM 1919 C PRO A 130 2.220 19.340 -8.386 1.00 0.00 C ATOM 1920 O PRO A 130 3.393 19.707 -8.437 1.00 0.00 O ATOM 1921 CB PRO A 130 1.504 19.429 -5.947 1.00 0.00 C ATOM 1922 CG PRO A 130 2.695 19.152 -5.043 1.00 0.00 C ATOM 1923 CD PRO A 130 3.386 17.899 -5.554 1.00 0.00 C ATOM 0 HA PRO A 130 0.754 18.135 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.457 20.484 -6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.568 19.187 -5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 130 3.383 19.997 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 130 2.368 19.014 -4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.439 18.086 -5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 130 3.346 17.097 -4.817 1.00 0.00 H new ATOM 1931 N SER A 131 1.319 19.572 -9.330 1.00 0.00 N ATOM 1932 CA SER A 131 1.670 20.304 -10.535 1.00 0.00 C ATOM 1933 C SER A 131 2.077 21.735 -10.179 1.00 0.00 C ATOM 1934 O SER A 131 1.245 22.641 -10.185 1.00 0.00 O ATOM 1935 CB SER A 131 0.507 20.315 -11.530 1.00 0.00 C ATOM 1936 OG SER A 131 -0.745 20.529 -10.885 1.00 0.00 O ATOM 0 H SER A 131 0.347 19.266 -9.284 1.00 0.00 H new ATOM 0 HA SER A 131 2.513 19.801 -11.008 1.00 0.00 H new ATOM 0 HB2 SER A 131 0.671 21.097 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 131 0.481 19.367 -12.067 1.00 0.00 H new ATOM 0 HG SER A 131 -0.700 21.346 -10.346 1.00 0.00 H new