USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 810 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 27 ASN : amide:sc= -0.597 X(o=-2,f=-2.4) USER MOD Set 1.2: A 59 ASN : amide:sc= -1.38 K(o=-2,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ -145:sc= -2.58 (180deg=-5.28!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -2.15 K(o=-2.2,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -0.295 (180deg=-1.68) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 120:sc= -1.39 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -151:sc= -0.914 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0137 K(o=-0.014,f=-1.5) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 77:sc= 0.0859 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 55 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.32!) USER MOD Single : A 57 HIS : no HD1:sc= -2.94 K(o=-2.9,f=-7.6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -147:sc= -0.186 (180deg=-2.34!) USER MOD Single : A 67 SER OG : rot 130:sc= 0 USER MOD Single : A 68 THR OG1 : rot -76:sc= -0.378 USER MOD Single : A 70 ASN : amide:sc= -0.215 K(o=-0.21,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.35) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 97:sc= 1.01 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 28:sc= 0.0251 USER MOD Single : A 97 TYR OH : rot -85:sc= 0.916 USER MOD Single : A 98 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.42) USER MOD Single : A 102 THR OG1 : rot -139:sc= -0.209 USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.779) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 88:sc= 0.961 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -5.352 -13.001 -2.694 1.00 0.00 N ATOM 67 CA PRO A 8 -4.157 -12.810 -1.866 1.00 0.00 C ATOM 68 C PRO A 8 -4.267 -11.587 -0.962 1.00 0.00 C ATOM 69 O PRO A 8 -3.983 -11.659 0.234 1.00 0.00 O ATOM 70 CB PRO A 8 -3.040 -12.616 -2.894 1.00 0.00 C ATOM 71 CG PRO A 8 -3.729 -12.094 -4.107 1.00 0.00 C ATOM 72 CD PRO A 8 -5.091 -12.732 -4.118 1.00 0.00 C ATOM 0 HA PRO A 8 -3.992 -13.649 -1.190 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.287 -11.915 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.527 -13.555 -3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.808 -11.007 -4.074 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.173 -12.346 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.842 -12.068 -4.546 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.101 -13.648 -4.709 1.00 0.00 H new ATOM 80 N VAL A 9 -4.681 -10.465 -1.540 1.00 0.00 N ATOM 81 CA VAL A 9 -4.831 -9.226 -0.786 1.00 0.00 C ATOM 82 C VAL A 9 -6.271 -8.729 -0.825 1.00 0.00 C ATOM 83 O VAL A 9 -6.887 -8.657 -1.889 1.00 0.00 O ATOM 84 CB VAL A 9 -3.904 -8.122 -1.330 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.809 -8.204 -2.846 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.395 -6.751 -0.892 1.00 0.00 C ATOM 0 H VAL A 9 -4.919 -10.388 -2.529 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.554 -9.448 0.245 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.906 -8.274 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.150 -7.417 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.408 -9.176 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.801 -8.078 -3.280 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.729 -5.983 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.403 -6.587 -1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.406 -6.699 0.197 1.00 0.00 H new ATOM 96 N LYS A 10 -6.805 -8.386 0.343 1.00 0.00 N ATOM 97 CA LYS A 10 -8.173 -7.893 0.444 1.00 0.00 C ATOM 98 C LYS A 10 -8.326 -6.559 -0.280 1.00 0.00 C ATOM 99 O LYS A 10 -7.377 -5.783 -0.380 1.00 0.00 O ATOM 100 CB LYS A 10 -8.573 -7.736 1.913 1.00 0.00 C ATOM 101 CG LYS A 10 -9.355 -8.918 2.460 1.00 0.00 C ATOM 102 CD LYS A 10 -10.178 -8.527 3.676 1.00 0.00 C ATOM 103 CE LYS A 10 -9.301 -7.974 4.788 1.00 0.00 C ATOM 104 NZ LYS A 10 -8.839 -9.045 5.714 1.00 0.00 N ATOM 0 H LYS A 10 -6.310 -8.441 1.233 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.831 -8.621 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.674 -7.597 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.172 -6.832 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.013 -9.310 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.666 -9.719 2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.919 -7.780 3.390 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.725 -9.396 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.437 -7.472 4.353 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.857 -7.223 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.788 -8.669 6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.509 -9.840 5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.897 -9.375 5.421 1.00 0.00 H new ATOM 118 N VAL A 11 -9.529 -6.299 -0.784 1.00 0.00 N ATOM 119 CA VAL A 11 -9.807 -5.058 -1.497 1.00 0.00 C ATOM 120 C VAL A 11 -10.850 -4.224 -0.762 1.00 0.00 C ATOM 121 O VAL A 11 -12.041 -4.539 -0.784 1.00 0.00 O ATOM 122 CB VAL A 11 -10.302 -5.333 -2.930 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.627 -4.029 -3.642 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.266 -6.131 -3.707 1.00 0.00 C ATOM 0 H VAL A 11 -10.326 -6.931 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.870 -4.503 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.215 -5.925 -2.873 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.975 -4.243 -4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.407 -3.500 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.732 -3.408 -3.690 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.632 -6.316 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.334 -5.567 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.088 -7.082 -3.205 1.00 0.00 H new ATOM 134 N LEU A 12 -10.396 -3.159 -0.112 1.00 0.00 N ATOM 135 CA LEU A 12 -11.290 -2.277 0.631 1.00 0.00 C ATOM 136 C LEU A 12 -11.978 -1.287 -0.304 1.00 0.00 C ATOM 137 O LEU A 12 -11.398 -0.848 -1.297 1.00 0.00 O ATOM 138 CB LEU A 12 -10.512 -1.521 1.710 1.00 0.00 C ATOM 139 CG LEU A 12 -9.508 -2.346 2.516 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.442 -1.446 3.121 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.220 -3.139 3.602 1.00 0.00 C ATOM 0 H LEU A 12 -9.414 -2.885 -0.084 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.055 -2.891 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.978 -0.698 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.228 -1.079 2.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.020 -3.050 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.736 -2.050 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.912 -0.924 2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.913 -0.718 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.490 -3.720 4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.735 -2.453 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.945 -3.812 3.145 1.00 0.00 H new ATOM 153 N VAL A 13 -13.219 -0.938 0.022 1.00 0.00 N ATOM 154 CA VAL A 13 -13.986 0.003 -0.786 1.00 0.00 C ATOM 155 C VAL A 13 -14.536 1.139 0.068 1.00 0.00 C ATOM 156 O VAL A 13 -14.679 1.004 1.283 1.00 0.00 O ATOM 157 CB VAL A 13 -15.154 -0.697 -1.504 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.634 -1.625 -2.592 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.012 -1.461 -0.506 1.00 0.00 C ATOM 0 H VAL A 13 -13.714 -1.293 0.840 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.303 0.411 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.776 0.064 -1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.474 -2.111 -3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.066 -1.048 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.989 -2.382 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.833 -1.950 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.404 -2.213 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.415 -0.768 0.233 1.00 0.00 H new ATOM 169 N GLY A 14 -14.845 2.261 -0.576 1.00 0.00 N ATOM 170 CA GLY A 14 -15.377 3.405 0.140 1.00 0.00 C ATOM 171 C GLY A 14 -16.704 3.106 0.808 1.00 0.00 C ATOM 172 O GLY A 14 -17.203 3.904 1.601 1.00 0.00 O ATOM 0 H GLY A 14 -14.736 2.397 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.658 3.724 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.502 4.237 -0.553 1.00 0.00 H new ATOM 176 N LYS A 15 -17.279 1.952 0.486 1.00 0.00 N ATOM 177 CA LYS A 15 -18.557 1.547 1.060 1.00 0.00 C ATOM 178 C LYS A 15 -18.353 0.820 2.385 1.00 0.00 C ATOM 179 O LYS A 15 -19.061 1.075 3.358 1.00 0.00 O ATOM 180 CB LYS A 15 -19.316 0.647 0.082 1.00 0.00 C ATOM 181 CG LYS A 15 -20.721 0.297 0.542 1.00 0.00 C ATOM 182 CD LYS A 15 -21.268 -0.908 -0.204 1.00 0.00 C ATOM 183 CE LYS A 15 -21.667 -0.548 -1.627 1.00 0.00 C ATOM 184 NZ LYS A 15 -23.021 0.068 -1.685 1.00 0.00 N ATOM 0 H LYS A 15 -16.880 1.280 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.144 2.446 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.373 1.144 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.751 -0.273 -0.065 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.714 0.091 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.379 1.152 0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.516 -1.697 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.132 -1.305 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.935 0.143 -2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.649 -1.444 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -23.255 0.299 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.723 -0.601 -1.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.032 0.937 -1.114 1.00 0.00 H new ATOM 198 N ASN A 16 -17.381 -0.086 2.414 1.00 0.00 N ATOM 199 CA ASN A 16 -17.084 -0.850 3.620 1.00 0.00 C ATOM 200 C ASN A 16 -15.584 -0.862 3.900 1.00 0.00 C ATOM 201 O ASN A 16 -15.041 -1.854 4.387 1.00 0.00 O ATOM 202 CB ASN A 16 -17.600 -2.283 3.481 1.00 0.00 C ATOM 203 CG ASN A 16 -16.894 -3.048 2.378 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.391 -3.140 1.255 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.728 -3.600 2.694 1.00 0.00 N ATOM 0 H ASN A 16 -16.786 -0.309 1.616 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.588 -0.370 4.458 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.466 -2.808 4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.671 -2.262 3.277 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.206 -4.126 1.993 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.354 -3.498 3.638 1.00 0.00 H new ATOM 212 N PHE A 17 -14.921 0.247 3.590 1.00 0.00 N ATOM 213 CA PHE A 17 -13.484 0.364 3.808 1.00 0.00 C ATOM 214 C PHE A 17 -13.142 0.199 5.286 1.00 0.00 C ATOM 215 O PHE A 17 -12.510 -0.779 5.682 1.00 0.00 O ATOM 216 CB PHE A 17 -12.979 1.718 3.305 1.00 0.00 C ATOM 217 CG PHE A 17 -11.774 2.222 4.046 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.571 1.536 3.988 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.843 3.382 4.801 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.461 1.998 4.670 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.736 3.848 5.485 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.544 3.155 5.418 1.00 0.00 C ATOM 0 H PHE A 17 -15.356 1.077 3.187 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.992 -0.431 3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.736 1.635 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.781 2.451 3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.500 0.631 3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.773 3.928 4.856 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.529 1.454 4.618 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.803 4.753 6.071 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.677 3.518 5.950 1.00 0.00 H new ATOM 232 N GLU A 18 -13.566 1.164 6.097 1.00 0.00 N ATOM 233 CA GLU A 18 -13.304 1.127 7.531 1.00 0.00 C ATOM 234 C GLU A 18 -13.865 -0.149 8.153 1.00 0.00 C ATOM 235 O GLU A 18 -13.381 -0.613 9.185 1.00 0.00 O ATOM 236 CB GLU A 18 -13.914 2.352 8.215 1.00 0.00 C ATOM 237 CG GLU A 18 -13.603 3.661 7.509 1.00 0.00 C ATOM 238 CD GLU A 18 -14.634 4.016 6.456 1.00 0.00 C ATOM 239 OE1 GLU A 18 -15.434 3.130 6.088 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.642 5.178 5.999 1.00 0.00 O ATOM 0 H GLU A 18 -14.092 1.980 5.785 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.224 1.138 7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.995 2.226 8.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.547 2.406 9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.551 4.463 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.621 3.593 7.042 1.00 0.00 H new ATOM 247 N ASP A 19 -14.888 -0.710 7.517 1.00 0.00 N ATOM 248 CA ASP A 19 -15.515 -1.932 8.007 1.00 0.00 C ATOM 249 C ASP A 19 -14.544 -3.106 7.938 1.00 0.00 C ATOM 250 O ASP A 19 -14.476 -3.924 8.856 1.00 0.00 O ATOM 251 CB ASP A 19 -16.773 -2.245 7.196 1.00 0.00 C ATOM 252 CG ASP A 19 -17.805 -3.011 8.000 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.899 -2.774 9.223 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.519 -3.847 7.408 1.00 0.00 O ATOM 0 H ASP A 19 -15.300 -0.338 6.661 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.794 -1.776 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.213 -1.314 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.499 -2.826 6.315 1.00 0.00 H new ATOM 259 N VAL A 20 -13.796 -3.185 6.842 1.00 0.00 N ATOM 260 CA VAL A 20 -12.829 -4.259 6.653 1.00 0.00 C ATOM 261 C VAL A 20 -11.429 -3.818 7.066 1.00 0.00 C ATOM 262 O VAL A 20 -10.787 -4.455 7.900 1.00 0.00 O ATOM 263 CB VAL A 20 -12.795 -4.732 5.187 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.619 -5.669 4.955 1.00 0.00 C ATOM 265 CG2 VAL A 20 -14.106 -5.406 4.814 1.00 0.00 C ATOM 0 H VAL A 20 -13.841 -2.518 6.072 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.147 -5.087 7.287 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.666 -3.860 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.611 -5.993 3.914 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.689 -5.148 5.180 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.713 -6.539 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.064 -5.734 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.268 -6.269 5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.927 -4.700 4.939 1.00 0.00 H new ATOM 275 N ALA A 21 -10.962 -2.723 6.475 1.00 0.00 N ATOM 276 CA ALA A 21 -9.639 -2.195 6.784 1.00 0.00 C ATOM 277 C ALA A 21 -9.453 -2.023 8.287 1.00 0.00 C ATOM 278 O ALA A 21 -8.608 -2.679 8.897 1.00 0.00 O ATOM 279 CB ALA A 21 -9.420 -0.870 6.068 1.00 0.00 C ATOM 0 H ALA A 21 -11.480 -2.185 5.780 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.898 -2.913 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.428 -0.487 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.501 -1.020 4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.174 -0.153 6.392 1.00 0.00 H new ATOM 285 N PHE A 22 -10.246 -1.137 8.880 1.00 0.00 N ATOM 286 CA PHE A 22 -10.167 -0.878 10.313 1.00 0.00 C ATOM 287 C PHE A 22 -10.832 -1.999 11.105 1.00 0.00 C ATOM 288 O PHE A 22 -12.036 -2.229 10.986 1.00 0.00 O ATOM 289 CB PHE A 22 -10.829 0.460 10.648 1.00 0.00 C ATOM 290 CG PHE A 22 -9.990 1.652 10.285 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.692 1.770 10.756 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.498 2.653 9.474 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.918 2.866 10.424 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.728 3.752 9.139 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.436 3.857 9.614 1.00 0.00 C ATOM 0 H PHE A 22 -10.951 -0.586 8.390 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.114 -0.835 10.592 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.783 0.525 10.125 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.047 0.491 11.715 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.281 0.998 11.389 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.508 2.575 9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.908 2.947 10.798 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.137 4.527 8.507 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.831 4.713 9.352 1.00 0.00 H new ATOM 305 N ASP A 23 -10.039 -2.695 11.913 1.00 0.00 N ATOM 306 CA ASP A 23 -10.549 -3.793 12.726 1.00 0.00 C ATOM 307 C ASP A 23 -9.761 -3.918 14.026 1.00 0.00 C ATOM 308 O ASP A 23 -8.533 -3.833 14.029 1.00 0.00 O ATOM 309 CB ASP A 23 -10.483 -5.107 11.946 1.00 0.00 C ATOM 310 CG ASP A 23 -11.210 -6.235 12.651 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.337 -6.004 13.135 1.00 0.00 O ATOM 312 OD2 ASP A 23 -10.650 -7.350 12.720 1.00 0.00 O ATOM 0 H ASP A 23 -9.040 -2.518 12.022 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.589 -3.578 12.972 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.917 -4.961 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.440 -5.387 11.799 1.00 0.00 H new ATOM 317 N GLU A 24 -10.476 -4.119 15.129 1.00 0.00 N ATOM 318 CA GLU A 24 -9.842 -4.253 16.435 1.00 0.00 C ATOM 319 C GLU A 24 -9.100 -5.582 16.546 1.00 0.00 C ATOM 320 O GLU A 24 -9.456 -6.562 15.890 1.00 0.00 O ATOM 321 CB GLU A 24 -10.888 -4.146 17.547 1.00 0.00 C ATOM 322 CG GLU A 24 -10.368 -4.563 18.913 1.00 0.00 C ATOM 323 CD GLU A 24 -11.124 -3.904 20.051 1.00 0.00 C ATOM 324 OE1 GLU A 24 -11.628 -2.778 19.854 1.00 0.00 O ATOM 325 OE2 GLU A 24 -11.213 -4.514 21.137 1.00 0.00 O ATOM 0 H GLU A 24 -11.493 -4.192 15.144 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.120 -3.444 16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.244 -3.117 17.602 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.746 -4.767 17.289 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.443 -5.646 19.011 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.311 -4.308 18.988 1.00 0.00 H new ATOM 332 N LYS A 25 -8.066 -5.608 17.380 1.00 0.00 N ATOM 333 CA LYS A 25 -7.273 -6.815 17.579 1.00 0.00 C ATOM 334 C LYS A 25 -6.804 -7.384 16.244 1.00 0.00 C ATOM 335 O LYS A 25 -6.701 -8.599 16.076 1.00 0.00 O ATOM 336 CB LYS A 25 -8.088 -7.867 18.335 1.00 0.00 C ATOM 337 CG LYS A 25 -8.337 -7.513 19.791 1.00 0.00 C ATOM 338 CD LYS A 25 -7.071 -7.643 20.620 1.00 0.00 C ATOM 339 CE LYS A 25 -6.772 -9.095 20.958 1.00 0.00 C ATOM 340 NZ LYS A 25 -5.920 -9.218 22.173 1.00 0.00 N ATOM 0 H LYS A 25 -7.757 -4.806 17.929 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.396 -6.550 18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.046 -8.001 17.833 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.566 -8.823 18.286 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.714 -6.493 19.859 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.109 -8.166 20.198 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.231 -7.216 20.072 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.177 -7.069 21.540 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.708 -9.631 21.115 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.271 -9.569 20.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.739 -10.223 22.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.016 -8.728 22.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.409 -8.789 22.985 1.00 0.00 H new ATOM 354 N LYS A 26 -6.519 -6.498 15.296 1.00 0.00 N ATOM 355 CA LYS A 26 -6.057 -6.910 13.975 1.00 0.00 C ATOM 356 C LYS A 26 -5.237 -5.806 13.317 1.00 0.00 C ATOM 357 O LYS A 26 -5.710 -4.683 13.151 1.00 0.00 O ATOM 358 CB LYS A 26 -7.249 -7.274 13.087 1.00 0.00 C ATOM 359 CG LYS A 26 -6.894 -7.400 11.615 1.00 0.00 C ATOM 360 CD LYS A 26 -6.343 -8.778 11.291 1.00 0.00 C ATOM 361 CE LYS A 26 -7.429 -9.841 11.353 1.00 0.00 C ATOM 362 NZ LYS A 26 -8.620 -9.465 10.542 1.00 0.00 N ATOM 0 H LYS A 26 -6.600 -5.489 15.418 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.421 -7.787 14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.674 -8.217 13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.023 -6.515 13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.779 -7.209 11.009 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.157 -6.641 11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.898 -8.768 10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.548 -9.027 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.030 -10.789 10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.729 -9.994 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.043 -10.321 10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.319 -8.992 11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.331 -8.820 9.779 1.00 0.00 H new ATOM 376 N ASN A 27 -4.004 -6.135 12.942 1.00 0.00 N ATOM 377 CA ASN A 27 -3.118 -5.170 12.300 1.00 0.00 C ATOM 378 C ASN A 27 -3.278 -5.211 10.783 1.00 0.00 C ATOM 379 O ASN A 27 -2.604 -5.980 10.097 1.00 0.00 O ATOM 380 CB ASN A 27 -1.663 -5.453 12.679 1.00 0.00 C ATOM 381 CG ASN A 27 -1.462 -5.536 14.180 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.282 -4.520 14.851 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.492 -6.752 14.714 1.00 0.00 N ATOM 0 H ASN A 27 -3.597 -7.061 13.072 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.390 -4.174 12.649 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.347 -6.390 12.220 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.025 -4.668 12.273 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.363 -6.871 15.719 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.644 -7.567 14.119 1.00 0.00 H new ATOM 390 N VAL A 28 -4.174 -4.377 10.265 1.00 0.00 N ATOM 391 CA VAL A 28 -4.421 -4.316 8.829 1.00 0.00 C ATOM 392 C VAL A 28 -3.553 -3.251 8.167 1.00 0.00 C ATOM 393 O VAL A 28 -3.479 -2.116 8.636 1.00 0.00 O ATOM 394 CB VAL A 28 -5.901 -4.017 8.527 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.118 -3.853 7.030 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.791 -5.116 9.086 1.00 0.00 C ATOM 0 H VAL A 28 -4.741 -3.734 10.818 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.165 -5.294 8.421 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.171 -3.080 9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.170 -3.642 6.836 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.509 -3.028 6.662 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.831 -4.772 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.833 -4.888 8.863 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.522 -6.069 8.630 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.656 -5.180 10.166 1.00 0.00 H new ATOM 406 N PHE A 29 -2.898 -3.626 7.073 1.00 0.00 N ATOM 407 CA PHE A 29 -2.034 -2.704 6.346 1.00 0.00 C ATOM 408 C PHE A 29 -2.637 -2.350 4.989 1.00 0.00 C ATOM 409 O PHE A 29 -2.528 -3.114 4.030 1.00 0.00 O ATOM 410 CB PHE A 29 -0.645 -3.316 6.155 1.00 0.00 C ATOM 411 CG PHE A 29 0.343 -2.376 5.526 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.194 -1.005 5.655 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.422 -2.864 4.805 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.101 -0.137 5.077 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.332 -2.001 4.226 1.00 0.00 C ATOM 416 CZ PHE A 29 2.172 -0.636 4.361 1.00 0.00 C ATOM 0 H PHE A 29 -2.949 -4.562 6.671 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.943 -1.791 6.934 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.262 -3.638 7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.732 -4.208 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.641 -0.609 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.552 -3.930 4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.973 0.930 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.169 -2.394 3.668 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.882 0.040 3.908 1.00 0.00 H new ATOM 426 N VAL A 30 -3.273 -1.185 4.918 1.00 0.00 N ATOM 427 CA VAL A 30 -3.893 -0.728 3.680 1.00 0.00 C ATOM 428 C VAL A 30 -2.870 -0.065 2.764 1.00 0.00 C ATOM 429 O VAL A 30 -1.841 0.429 3.224 1.00 0.00 O ATOM 430 CB VAL A 30 -5.036 0.267 3.958 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.814 0.557 2.684 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.956 -0.270 5.044 1.00 0.00 C ATOM 0 H VAL A 30 -3.372 -0.541 5.703 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.300 -1.610 3.187 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.602 1.203 4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.617 1.262 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.145 0.987 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.239 -0.370 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.758 0.445 5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.383 -1.220 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.387 -0.421 5.961 1.00 0.00 H new ATOM 442 N GLU A 31 -3.160 -0.060 1.467 1.00 0.00 N ATOM 443 CA GLU A 31 -2.263 0.542 0.487 1.00 0.00 C ATOM 444 C GLU A 31 -3.042 1.390 -0.514 1.00 0.00 C ATOM 445 O GLU A 31 -3.698 0.864 -1.414 1.00 0.00 O ATOM 446 CB GLU A 31 -1.476 -0.543 -0.251 1.00 0.00 C ATOM 447 CG GLU A 31 -0.902 -0.081 -1.579 1.00 0.00 C ATOM 448 CD GLU A 31 -0.395 -1.231 -2.428 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.226 -1.895 -3.083 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.831 -1.468 -2.436 1.00 0.00 O ATOM 0 H GLU A 31 -4.008 -0.465 1.071 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.565 1.188 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.662 -0.887 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.128 -1.399 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.668 0.463 -2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.085 0.617 -1.394 1.00 0.00 H new ATOM 457 N PHE A 32 -2.967 2.707 -0.350 1.00 0.00 N ATOM 458 CA PHE A 32 -3.665 3.629 -1.238 1.00 0.00 C ATOM 459 C PHE A 32 -2.885 3.834 -2.533 1.00 0.00 C ATOM 460 O PHE A 32 -1.932 4.613 -2.580 1.00 0.00 O ATOM 461 CB PHE A 32 -3.882 4.975 -0.542 1.00 0.00 C ATOM 462 CG PHE A 32 -4.713 4.877 0.705 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.097 4.909 0.637 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.110 4.754 1.947 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.864 4.819 1.783 1.00 0.00 C ATOM 466 CE2 PHE A 32 -4.873 4.663 3.096 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.251 4.697 3.014 1.00 0.00 C ATOM 0 H PHE A 32 -2.430 3.159 0.390 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.634 3.194 -1.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.913 5.405 -0.290 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.365 5.661 -1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.582 5.005 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.033 4.729 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.942 4.844 1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.391 4.565 4.058 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.848 4.628 3.911 1.00 0.00 H new ATOM 477 N TYR A 33 -3.296 3.129 -3.582 1.00 0.00 N ATOM 478 CA TYR A 33 -2.634 3.231 -4.877 1.00 0.00 C ATOM 479 C TYR A 33 -3.496 4.003 -5.870 1.00 0.00 C ATOM 480 O TYR A 33 -4.648 4.330 -5.586 1.00 0.00 O ATOM 481 CB TYR A 33 -2.328 1.837 -5.427 1.00 0.00 C ATOM 482 CG TYR A 33 -3.561 1.058 -5.824 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.210 1.310 -7.026 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.078 0.068 -4.996 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.338 0.601 -7.392 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.204 -0.647 -5.354 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.831 -0.376 -6.553 1.00 0.00 C ATOM 488 OH TYR A 33 -6.953 -1.086 -6.914 1.00 0.00 O ATOM 0 H TYR A 33 -4.084 2.481 -3.561 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.699 3.773 -4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.675 1.933 -6.294 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.778 1.272 -4.675 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.826 2.074 -7.686 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.590 -0.146 -4.056 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.831 0.811 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.592 -1.414 -4.699 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.168 -1.737 -6.213 1.00 0.00 H new ATOM 498 N ALA A 34 -2.929 4.291 -7.037 1.00 0.00 N ATOM 499 CA ALA A 34 -3.646 5.023 -8.075 1.00 0.00 C ATOM 500 C ALA A 34 -3.581 4.287 -9.409 1.00 0.00 C ATOM 501 O ALA A 34 -2.534 3.785 -9.819 1.00 0.00 O ATOM 502 CB ALA A 34 -3.080 6.428 -8.216 1.00 0.00 C ATOM 0 H ALA A 34 -1.976 4.029 -7.288 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.693 5.093 -7.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.624 6.963 -8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.184 6.959 -7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.025 6.370 -8.485 1.00 0.00 H new ATOM 508 N PRO A 35 -4.726 4.220 -10.105 1.00 0.00 N ATOM 509 CA PRO A 35 -4.825 3.548 -11.403 1.00 0.00 C ATOM 510 C PRO A 35 -4.086 4.301 -12.504 1.00 0.00 C ATOM 511 O PRO A 35 -3.978 3.821 -13.633 1.00 0.00 O ATOM 512 CB PRO A 35 -6.330 3.534 -11.682 1.00 0.00 C ATOM 513 CG PRO A 35 -6.869 4.687 -10.908 1.00 0.00 C ATOM 514 CD PRO A 35 -6.012 4.797 -9.677 1.00 0.00 C ATOM 0 HA PRO A 35 -4.372 2.557 -11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.536 3.641 -12.747 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.783 2.596 -11.362 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.828 5.604 -11.495 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.914 4.525 -10.643 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.901 5.833 -9.356 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.440 4.247 -8.839 1.00 0.00 H new ATOM 522 N TRP A 36 -3.579 5.482 -12.168 1.00 0.00 N ATOM 523 CA TRP A 36 -2.849 6.301 -13.130 1.00 0.00 C ATOM 524 C TRP A 36 -1.407 6.511 -12.682 1.00 0.00 C ATOM 525 O TRP A 36 -0.514 6.707 -13.506 1.00 0.00 O ATOM 526 CB TRP A 36 -3.543 7.653 -13.309 1.00 0.00 C ATOM 527 CG TRP A 36 -4.308 8.092 -12.098 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.628 7.858 -11.833 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.802 8.844 -10.990 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.971 8.419 -10.626 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.869 9.029 -10.089 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.551 9.377 -10.670 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.721 9.725 -8.892 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.405 10.068 -9.482 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.484 10.236 -8.604 1.00 0.00 C ATOM 0 H TRP A 36 -3.660 5.894 -11.238 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.840 5.776 -14.085 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.795 8.408 -13.551 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.223 7.595 -14.158 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.302 7.313 -12.477 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.897 8.386 -10.199 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.713 9.251 -11.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.552 9.857 -8.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.443 10.486 -9.226 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.337 10.779 -7.682 1.00 0.00 H new ATOM 546 N CYS A 37 -1.187 6.468 -11.372 1.00 0.00 N ATOM 547 CA CYS A 37 0.149 6.655 -10.815 1.00 0.00 C ATOM 548 C CYS A 37 1.109 5.592 -11.339 1.00 0.00 C ATOM 549 O CYS A 37 1.044 4.430 -10.940 1.00 0.00 O ATOM 550 CB CYS A 37 0.098 6.605 -9.288 1.00 0.00 C ATOM 551 SG CYS A 37 1.711 6.776 -8.490 1.00 0.00 S ATOM 0 H CYS A 37 -1.915 6.306 -10.677 1.00 0.00 H new ATOM 0 HA CYS A 37 0.513 7.634 -11.127 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.558 7.399 -8.931 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.349 5.660 -8.981 1.00 0.00 H new ATOM 0 HG CYS A 37 1.705 7.824 -7.720 1.00 0.00 H new ATOM 557 N GLY A 38 2.001 5.999 -12.238 1.00 0.00 N ATOM 558 CA GLY A 38 2.961 5.069 -12.803 1.00 0.00 C ATOM 559 C GLY A 38 3.645 4.226 -11.745 1.00 0.00 C ATOM 560 O GLY A 38 3.884 3.035 -11.948 1.00 0.00 O ATOM 0 H GLY A 38 2.075 6.955 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.454 4.415 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.713 5.624 -13.363 1.00 0.00 H new ATOM 564 N HIS A 39 3.962 4.844 -10.611 1.00 0.00 N ATOM 565 CA HIS A 39 4.623 4.143 -9.517 1.00 0.00 C ATOM 566 C HIS A 39 3.763 2.987 -9.014 1.00 0.00 C ATOM 567 O HIS A 39 4.274 1.911 -8.703 1.00 0.00 O ATOM 568 CB HIS A 39 4.921 5.109 -8.370 1.00 0.00 C ATOM 569 CG HIS A 39 6.012 6.087 -8.678 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.334 5.721 -8.818 1.00 0.00 N ATOM 571 CD2 HIS A 39 5.971 7.426 -8.876 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.060 6.791 -9.087 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.257 7.839 -9.128 1.00 0.00 N ATOM 0 H HIS A 39 3.771 5.829 -10.426 1.00 0.00 H new ATOM 0 HA HIS A 39 5.562 3.737 -9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.012 5.657 -8.123 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.198 4.535 -7.486 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.092 8.052 -8.842 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.128 6.806 -9.246 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.545 8.799 -9.316 1.00 0.00 H new ATOM 582 N CYS A 40 2.458 3.218 -8.936 1.00 0.00 N ATOM 583 CA CYS A 40 1.527 2.196 -8.470 1.00 0.00 C ATOM 584 C CYS A 40 1.623 0.940 -9.329 1.00 0.00 C ATOM 585 O CYS A 40 1.712 -0.174 -8.812 1.00 0.00 O ATOM 586 CB CYS A 40 0.095 2.734 -8.489 1.00 0.00 C ATOM 587 SG CYS A 40 -1.163 1.471 -8.789 1.00 0.00 S ATOM 0 H CYS A 40 2.020 4.104 -9.189 1.00 0.00 H new ATOM 0 HA CYS A 40 1.796 1.935 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.112 3.219 -7.535 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.016 3.500 -9.260 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.188 2.011 -9.378 1.00 0.00 H new ATOM 593 N LYS A 41 1.602 1.126 -10.645 1.00 0.00 N ATOM 594 CA LYS A 41 1.687 0.009 -11.578 1.00 0.00 C ATOM 595 C LYS A 41 2.788 -0.962 -11.166 1.00 0.00 C ATOM 596 O LYS A 41 2.723 -2.153 -11.469 1.00 0.00 O ATOM 597 CB LYS A 41 1.948 0.521 -12.996 1.00 0.00 C ATOM 598 CG LYS A 41 0.735 1.168 -13.642 1.00 0.00 C ATOM 599 CD LYS A 41 1.129 2.027 -14.832 1.00 0.00 C ATOM 600 CE LYS A 41 0.080 3.089 -15.125 1.00 0.00 C ATOM 601 NZ LYS A 41 0.192 3.610 -16.515 1.00 0.00 N ATOM 0 H LYS A 41 1.527 2.041 -11.089 1.00 0.00 H new ATOM 0 HA LYS A 41 0.735 -0.521 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.763 1.244 -12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.280 -0.310 -13.618 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.038 0.395 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.213 1.781 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.088 2.506 -14.635 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.263 1.395 -15.710 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.914 2.669 -14.974 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.189 3.912 -14.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.540 4.331 -16.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.132 4.034 -16.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.062 2.829 -17.190 1.00 0.00 H new ATOM 615 N GLN A 42 3.797 -0.446 -10.472 1.00 0.00 N ATOM 616 CA GLN A 42 4.912 -1.269 -10.018 1.00 0.00 C ATOM 617 C GLN A 42 4.615 -1.882 -8.653 1.00 0.00 C ATOM 618 O GLN A 42 5.137 -2.944 -8.311 1.00 0.00 O ATOM 619 CB GLN A 42 6.193 -0.436 -9.948 1.00 0.00 C ATOM 620 CG GLN A 42 6.733 -0.035 -11.312 1.00 0.00 C ATOM 621 CD GLN A 42 7.598 -1.112 -11.936 1.00 0.00 C ATOM 622 OE1 GLN A 42 7.773 -2.191 -11.369 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.146 -0.824 -13.111 1.00 0.00 N ATOM 0 H GLN A 42 3.866 0.538 -10.212 1.00 0.00 H new ATOM 0 HA GLN A 42 5.051 -2.077 -10.737 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.000 0.464 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.957 -1.003 -9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.899 0.187 -11.978 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.315 0.881 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.974 0.083 -13.545 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.739 -1.510 -13.579 1.00 0.00 H new ATOM 632 N LEU A 43 3.775 -1.206 -7.877 1.00 0.00 N ATOM 633 CA LEU A 43 3.409 -1.685 -6.548 1.00 0.00 C ATOM 634 C LEU A 43 2.316 -2.745 -6.633 1.00 0.00 C ATOM 635 O LEU A 43 2.105 -3.510 -5.692 1.00 0.00 O ATOM 636 CB LEU A 43 2.938 -0.519 -5.677 1.00 0.00 C ATOM 637 CG LEU A 43 3.036 -0.728 -4.165 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.491 -0.828 -3.734 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.335 0.401 -3.424 1.00 0.00 C ATOM 0 H LEU A 43 3.335 -0.326 -8.144 1.00 0.00 H new ATOM 0 HA LEU A 43 4.292 -2.136 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.521 0.364 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.900 -0.301 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 43 2.538 -1.665 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.542 -0.977 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.963 -1.671 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.013 0.092 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.415 0.236 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.804 1.351 -3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.284 0.426 -3.710 1.00 0.00 H new ATOM 651 N ALA A 44 1.625 -2.786 -7.767 1.00 0.00 N ATOM 652 CA ALA A 44 0.557 -3.755 -7.977 1.00 0.00 C ATOM 653 C ALA A 44 1.028 -5.169 -7.656 1.00 0.00 C ATOM 654 O ALA A 44 0.425 -5.884 -6.856 1.00 0.00 O ATOM 655 CB ALA A 44 0.048 -3.678 -9.409 1.00 0.00 C ATOM 0 H ALA A 44 1.786 -2.159 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.261 -3.510 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.749 -4.407 -9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.336 -2.677 -9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.865 -3.894 -10.098 1.00 0.00 H new ATOM 661 N PRO A 45 2.132 -5.585 -8.295 1.00 0.00 N ATOM 662 CA PRO A 45 2.709 -6.918 -8.094 1.00 0.00 C ATOM 663 C PRO A 45 3.330 -7.078 -6.711 1.00 0.00 C ATOM 664 O PRO A 45 3.064 -8.054 -6.009 1.00 0.00 O ATOM 665 CB PRO A 45 3.786 -7.006 -9.178 1.00 0.00 C ATOM 666 CG PRO A 45 4.158 -5.591 -9.458 1.00 0.00 C ATOM 667 CD PRO A 45 2.903 -4.786 -9.263 1.00 0.00 C ATOM 0 HA PRO A 45 1.955 -7.703 -8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.646 -7.581 -8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.408 -7.500 -10.073 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.946 -5.254 -8.785 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.538 -5.481 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.120 -3.789 -8.879 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.360 -4.655 -10.199 1.00 0.00 H new ATOM 675 N ILE A 46 4.159 -6.113 -6.325 1.00 0.00 N ATOM 676 CA ILE A 46 4.817 -6.147 -5.025 1.00 0.00 C ATOM 677 C ILE A 46 3.797 -6.243 -3.895 1.00 0.00 C ATOM 678 O ILE A 46 4.007 -6.957 -2.915 1.00 0.00 O ATOM 679 CB ILE A 46 5.694 -4.901 -4.805 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.707 -4.756 -5.943 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.406 -4.984 -3.463 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.068 -3.320 -6.251 1.00 0.00 C ATOM 0 H ILE A 46 4.390 -5.299 -6.894 1.00 0.00 H new ATOM 0 HA ILE A 46 5.451 -7.034 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 46 5.052 -4.020 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.614 -5.302 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.301 -5.221 -6.841 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.022 -4.096 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.668 -5.044 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.039 -5.871 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.790 -3.293 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.171 -2.774 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.504 -2.857 -5.366 1.00 0.00 H new ATOM 694 N TRP A 47 2.693 -5.520 -4.040 1.00 0.00 N ATOM 695 CA TRP A 47 1.639 -5.524 -3.032 1.00 0.00 C ATOM 696 C TRP A 47 0.888 -6.852 -3.035 1.00 0.00 C ATOM 697 O TRP A 47 0.475 -7.344 -1.985 1.00 0.00 O ATOM 698 CB TRP A 47 0.663 -4.372 -3.279 1.00 0.00 C ATOM 699 CG TRP A 47 -0.223 -4.083 -2.106 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.579 -4.237 -2.045 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.184 -3.586 -0.826 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.039 -3.867 -0.805 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.978 -3.465 -0.038 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.416 -3.235 -0.269 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.940 -3.006 1.276 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.451 -2.780 1.036 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.280 -2.669 1.796 1.00 0.00 C ATOM 0 H TRP A 47 2.504 -4.923 -4.846 1.00 0.00 H new ATOM 0 HA TRP A 47 2.105 -5.393 -2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.228 -3.474 -3.529 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.043 -4.609 -4.144 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.198 -4.597 -2.853 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.013 -3.888 -0.504 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.324 -3.318 -0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.842 -2.919 1.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.398 -2.505 1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.341 -2.310 2.813 1.00 0.00 H new ATOM 718 N ASP A 48 0.716 -7.426 -4.220 1.00 0.00 N ATOM 719 CA ASP A 48 0.016 -8.698 -4.359 1.00 0.00 C ATOM 720 C ASP A 48 0.870 -9.848 -3.835 1.00 0.00 C ATOM 721 O ASP A 48 0.348 -10.864 -3.375 1.00 0.00 O ATOM 722 CB ASP A 48 -0.352 -8.945 -5.823 1.00 0.00 C ATOM 723 CG ASP A 48 -0.406 -10.421 -6.165 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.662 -11.068 -6.171 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.517 -10.928 -6.427 1.00 0.00 O ATOM 0 H ASP A 48 1.052 -7.031 -5.099 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.898 -8.648 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.320 -8.491 -6.033 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.377 -8.452 -6.466 1.00 0.00 H new ATOM 730 N LYS A 49 2.186 -9.683 -3.910 1.00 0.00 N ATOM 731 CA LYS A 49 3.114 -10.706 -3.444 1.00 0.00 C ATOM 732 C LYS A 49 3.229 -10.684 -1.923 1.00 0.00 C ATOM 733 O LYS A 49 3.503 -11.709 -1.296 1.00 0.00 O ATOM 734 CB LYS A 49 4.494 -10.497 -4.073 1.00 0.00 C ATOM 735 CG LYS A 49 4.572 -10.933 -5.526 1.00 0.00 C ATOM 736 CD LYS A 49 5.627 -10.148 -6.287 1.00 0.00 C ATOM 737 CE LYS A 49 7.030 -10.631 -5.954 1.00 0.00 C ATOM 738 NZ LYS A 49 7.379 -11.874 -6.696 1.00 0.00 N ATOM 0 H LYS A 49 2.634 -8.849 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 49 2.726 -11.678 -3.748 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.760 -9.442 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.235 -11.050 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.802 -11.997 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.601 -10.795 -6.001 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.452 -10.246 -7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.539 -9.089 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.750 -9.849 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.106 -10.814 -4.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.343 -12.171 -6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.707 -12.628 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.331 -11.693 -7.719 1.00 0.00 H new ATOM 752 N LEU A 50 3.016 -9.512 -1.335 1.00 0.00 N ATOM 753 CA LEU A 50 3.093 -9.358 0.114 1.00 0.00 C ATOM 754 C LEU A 50 1.775 -9.748 0.774 1.00 0.00 C ATOM 755 O LEU A 50 1.758 -10.273 1.887 1.00 0.00 O ATOM 756 CB LEU A 50 3.450 -7.915 0.474 1.00 0.00 C ATOM 757 CG LEU A 50 2.913 -7.405 1.812 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.678 -8.031 2.968 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.996 -5.887 1.876 1.00 0.00 C ATOM 0 H LEU A 50 2.789 -8.655 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 50 3.873 -10.022 0.485 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.536 -7.822 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.079 -7.262 -0.316 1.00 0.00 H new ATOM 0 HG LEU A 50 1.866 -7.696 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.282 -7.656 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.568 -9.115 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.734 -7.771 2.889 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.610 -5.542 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.035 -5.575 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.403 -5.456 1.069 1.00 0.00 H new ATOM 771 N GLY A 51 0.671 -9.490 0.080 1.00 0.00 N ATOM 772 CA GLY A 51 -0.636 -9.823 0.614 1.00 0.00 C ATOM 773 C GLY A 51 -0.817 -11.314 0.818 1.00 0.00 C ATOM 774 O GLY A 51 -1.339 -11.747 1.845 1.00 0.00 O ATOM 0 H GLY A 51 0.659 -9.056 -0.843 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.778 -9.310 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.406 -9.456 -0.064 1.00 0.00 H new ATOM 778 N GLU A 52 -0.385 -12.101 -0.162 1.00 0.00 N ATOM 779 CA GLU A 52 -0.505 -13.552 -0.085 1.00 0.00 C ATOM 780 C GLU A 52 0.300 -14.102 1.089 1.00 0.00 C ATOM 781 O GLU A 52 -0.027 -15.153 1.642 1.00 0.00 O ATOM 782 CB GLU A 52 -0.029 -14.195 -1.390 1.00 0.00 C ATOM 783 CG GLU A 52 1.476 -14.395 -1.457 1.00 0.00 C ATOM 784 CD GLU A 52 1.920 -15.047 -2.752 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.256 -14.825 -3.786 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.931 -15.779 -2.731 1.00 0.00 O ATOM 0 H GLU A 52 0.051 -11.758 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.556 -13.797 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.521 -15.160 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.342 -13.571 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.972 -13.430 -1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.795 -15.011 -0.616 1.00 0.00 H new ATOM 793 N THR A 53 1.355 -13.386 1.464 1.00 0.00 N ATOM 794 CA THR A 53 2.208 -13.802 2.570 1.00 0.00 C ATOM 795 C THR A 53 1.464 -13.722 3.898 1.00 0.00 C ATOM 796 O THR A 53 1.634 -14.576 4.768 1.00 0.00 O ATOM 797 CB THR A 53 3.480 -12.937 2.654 1.00 0.00 C ATOM 798 OG1 THR A 53 4.261 -13.098 1.465 1.00 0.00 O ATOM 799 CG2 THR A 53 4.312 -13.317 3.870 1.00 0.00 C ATOM 0 H THR A 53 1.639 -12.514 1.017 1.00 0.00 H new ATOM 0 HA THR A 53 2.493 -14.836 2.378 1.00 0.00 H new ATOM 0 HB THR A 53 3.179 -11.894 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.852 -12.590 0.734 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.205 -12.693 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.724 -13.165 4.775 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.604 -14.365 3.798 1.00 0.00 H new ATOM 807 N TYR A 54 0.638 -12.692 4.047 1.00 0.00 N ATOM 808 CA TYR A 54 -0.131 -12.500 5.271 1.00 0.00 C ATOM 809 C TYR A 54 -1.628 -12.617 4.998 1.00 0.00 C ATOM 810 O TYR A 54 -2.443 -11.959 5.644 1.00 0.00 O ATOM 811 CB TYR A 54 0.181 -11.135 5.886 1.00 0.00 C ATOM 812 CG TYR A 54 1.654 -10.907 6.137 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.502 -10.512 5.109 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.199 -11.085 7.403 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.849 -10.303 5.334 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.544 -10.877 7.637 1.00 0.00 C ATOM 817 CZ TYR A 54 4.365 -10.486 6.600 1.00 0.00 C ATOM 818 OH TYR A 54 5.706 -10.278 6.828 1.00 0.00 O ATOM 0 H TYR A 54 0.484 -11.977 3.336 1.00 0.00 H new ATOM 0 HA TYR A 54 0.154 -13.282 5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.191 -10.354 5.223 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.359 -11.038 6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.101 -10.366 4.117 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.560 -11.391 8.218 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.494 -9.998 4.523 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.951 -11.020 8.627 1.00 0.00 H new ATOM 0 HH TYR A 54 5.908 -10.449 7.772 1.00 0.00 H new ATOM 828 N LYS A 55 -1.982 -13.461 4.034 1.00 0.00 N ATOM 829 CA LYS A 55 -3.380 -13.669 3.674 1.00 0.00 C ATOM 830 C LYS A 55 -4.068 -14.591 4.675 1.00 0.00 C ATOM 831 O LYS A 55 -5.280 -14.509 4.877 1.00 0.00 O ATOM 832 CB LYS A 55 -3.483 -14.258 2.266 1.00 0.00 C ATOM 833 CG LYS A 55 -3.092 -15.724 2.190 1.00 0.00 C ATOM 834 CD LYS A 55 -3.023 -16.209 0.752 1.00 0.00 C ATOM 835 CE LYS A 55 -1.996 -17.319 0.586 1.00 0.00 C ATOM 836 NZ LYS A 55 -1.682 -17.575 -0.847 1.00 0.00 N ATOM 0 H LYS A 55 -1.320 -14.012 3.488 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.882 -12.702 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.506 -14.144 1.908 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.844 -13.685 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.124 -15.869 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.815 -16.323 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.004 -16.570 0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.768 -15.375 0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.082 -17.050 1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.373 -18.234 1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.773 -18.592 -1.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.344 -17.044 -1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.709 -17.269 -1.049 1.00 0.00 H new ATOM 850 N ASP A 56 -3.288 -15.467 5.298 1.00 0.00 N ATOM 851 CA ASP A 56 -3.823 -16.404 6.280 1.00 0.00 C ATOM 852 C ASP A 56 -3.205 -16.163 7.654 1.00 0.00 C ATOM 853 O ASP A 56 -3.180 -17.057 8.501 1.00 0.00 O ATOM 854 CB ASP A 56 -3.564 -17.845 5.836 1.00 0.00 C ATOM 855 CG ASP A 56 -4.607 -18.345 4.857 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.149 -17.519 4.094 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.883 -19.564 4.855 1.00 0.00 O ATOM 0 H ASP A 56 -2.283 -15.548 5.141 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.899 -16.242 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.578 -17.909 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.550 -18.495 6.711 1.00 0.00 H new ATOM 862 N HIS A 57 -2.705 -14.950 7.868 1.00 0.00 N ATOM 863 CA HIS A 57 -2.086 -14.591 9.139 1.00 0.00 C ATOM 864 C HIS A 57 -3.120 -14.575 10.261 1.00 0.00 C ATOM 865 O HIS A 57 -4.280 -14.929 10.053 1.00 0.00 O ATOM 866 CB HIS A 57 -1.409 -13.224 9.033 1.00 0.00 C ATOM 867 CG HIS A 57 -0.114 -13.138 9.780 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.025 -12.700 11.084 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.149 -13.438 9.399 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.237 -12.732 11.473 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.970 -13.177 10.468 1.00 0.00 N ATOM 0 H HIS A 57 -2.716 -14.199 7.178 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.333 -15.343 9.374 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.229 -12.997 7.982 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.089 -12.461 9.411 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.455 -13.813 8.433 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.606 -12.444 12.446 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.982 -13.306 10.484 1.00 0.00 H new ATOM 880 N GLU A 58 -2.690 -14.161 11.449 1.00 0.00 N ATOM 881 CA GLU A 58 -3.579 -14.100 12.603 1.00 0.00 C ATOM 882 C GLU A 58 -4.002 -12.662 12.890 1.00 0.00 C ATOM 883 O GLU A 58 -5.185 -12.375 13.062 1.00 0.00 O ATOM 884 CB GLU A 58 -2.894 -14.697 13.835 1.00 0.00 C ATOM 885 CG GLU A 58 -1.787 -13.822 14.398 1.00 0.00 C ATOM 886 CD GLU A 58 -0.946 -14.542 15.436 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.954 -15.790 15.444 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.281 -13.855 16.239 1.00 0.00 O ATOM 0 H GLU A 58 -1.733 -13.863 11.637 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.471 -14.683 12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.642 -14.866 14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.479 -15.671 13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.144 -13.487 13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.226 -12.930 14.846 1.00 0.00 H new ATOM 895 N ASN A 59 -3.024 -11.763 12.939 1.00 0.00 N ATOM 896 CA ASN A 59 -3.294 -10.355 13.206 1.00 0.00 C ATOM 897 C ASN A 59 -2.898 -9.490 12.013 1.00 0.00 C ATOM 898 O ASN A 59 -3.472 -8.424 11.789 1.00 0.00 O ATOM 899 CB ASN A 59 -2.538 -9.897 14.455 1.00 0.00 C ATOM 900 CG ASN A 59 -1.037 -9.865 14.243 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.499 -8.912 13.679 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.353 -10.909 14.695 1.00 0.00 N ATOM 0 H ASN A 59 -2.038 -11.984 12.797 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.365 -10.242 13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.883 -8.903 14.741 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.771 -10.566 15.283 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.660 -10.943 14.581 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.840 -11.677 15.157 1.00 0.00 H new ATOM 909 N ILE A 60 -1.915 -9.957 11.250 1.00 0.00 N ATOM 910 CA ILE A 60 -1.445 -9.228 10.080 1.00 0.00 C ATOM 911 C ILE A 60 -2.345 -9.481 8.875 1.00 0.00 C ATOM 912 O ILE A 60 -2.436 -10.604 8.379 1.00 0.00 O ATOM 913 CB ILE A 60 0.000 -9.618 9.717 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.921 -9.432 10.925 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.492 -8.792 8.538 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.375 -9.722 10.627 1.00 0.00 C ATOM 0 H ILE A 60 -1.429 -10.837 11.422 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.474 -8.169 10.336 1.00 0.00 H new ATOM 0 HB ILE A 60 0.015 -10.670 9.430 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.830 -8.408 11.287 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.586 -10.085 11.731 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.515 -9.080 8.294 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.151 -8.970 7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.465 -7.734 8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.969 -9.570 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.479 -10.755 10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.727 -9.051 9.843 1.00 0.00 H new ATOM 928 N VAL A 61 -3.009 -8.428 8.408 1.00 0.00 N ATOM 929 CA VAL A 61 -3.900 -8.534 7.259 1.00 0.00 C ATOM 930 C VAL A 61 -3.600 -7.452 6.228 1.00 0.00 C ATOM 931 O VAL A 61 -3.664 -6.260 6.529 1.00 0.00 O ATOM 932 CB VAL A 61 -5.377 -8.428 7.684 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.221 -7.871 6.547 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.901 -9.784 8.132 1.00 0.00 C ATOM 0 H VAL A 61 -2.946 -7.492 8.808 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.727 -9.513 6.813 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.446 -7.741 8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.261 -7.803 6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.859 -6.879 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.148 -8.531 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.946 -9.690 8.429 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.819 -10.495 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.314 -10.139 8.979 1.00 0.00 H new ATOM 944 N ILE A 62 -3.273 -7.876 5.012 1.00 0.00 N ATOM 945 CA ILE A 62 -2.965 -6.943 3.936 1.00 0.00 C ATOM 946 C ILE A 62 -4.213 -6.602 3.129 1.00 0.00 C ATOM 947 O ILE A 62 -5.033 -7.472 2.838 1.00 0.00 O ATOM 948 CB ILE A 62 -1.894 -7.512 2.987 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.627 -7.869 3.768 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.578 -6.512 1.884 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.088 -6.666 4.342 1.00 0.00 C ATOM 0 H ILE A 62 -3.215 -8.859 4.748 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.580 -6.037 4.405 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.283 -8.420 2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.889 -8.547 4.580 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.056 -8.408 3.111 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.819 -6.929 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.483 -6.302 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.205 -5.588 2.326 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.976 -6.994 4.882 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.382 -5.997 3.533 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.578 -6.139 5.025 1.00 0.00 H new ATOM 963 N ALA A 63 -4.350 -5.330 2.769 1.00 0.00 N ATOM 964 CA ALA A 63 -5.496 -4.874 1.993 1.00 0.00 C ATOM 965 C ALA A 63 -5.122 -3.695 1.101 1.00 0.00 C ATOM 966 O ALA A 63 -4.230 -2.913 1.431 1.00 0.00 O ATOM 967 CB ALA A 63 -6.644 -4.496 2.917 1.00 0.00 C ATOM 0 H ALA A 63 -3.681 -4.597 3.003 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.817 -5.694 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.493 -4.157 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.937 -5.364 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.325 -3.695 3.584 1.00 0.00 H new ATOM 973 N LYS A 64 -5.807 -3.573 -0.030 1.00 0.00 N ATOM 974 CA LYS A 64 -5.548 -2.489 -0.970 1.00 0.00 C ATOM 975 C LYS A 64 -6.826 -1.713 -1.272 1.00 0.00 C ATOM 976 O LYS A 64 -7.903 -2.296 -1.390 1.00 0.00 O ATOM 977 CB LYS A 64 -4.956 -3.043 -2.268 1.00 0.00 C ATOM 978 CG LYS A 64 -5.924 -3.908 -3.057 1.00 0.00 C ATOM 979 CD LYS A 64 -5.342 -4.312 -4.401 1.00 0.00 C ATOM 980 CE LYS A 64 -6.376 -5.015 -5.268 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.773 -5.570 -6.511 1.00 0.00 N ATOM 0 H LYS A 64 -6.547 -4.213 -0.319 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.831 -1.808 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.632 -2.211 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.068 -3.629 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.167 -4.801 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.856 -3.365 -3.212 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.972 -3.427 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.488 -4.971 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.840 -5.820 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.167 -4.313 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.510 -6.041 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.352 -4.798 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.035 -6.259 -6.261 1.00 0.00 H new ATOM 995 N MET A 65 -6.697 -0.396 -1.395 1.00 0.00 N ATOM 996 CA MET A 65 -7.842 0.459 -1.686 1.00 0.00 C ATOM 997 C MET A 65 -7.465 1.554 -2.679 1.00 0.00 C ATOM 998 O MET A 65 -6.408 2.173 -2.562 1.00 0.00 O ATOM 999 CB MET A 65 -8.378 1.086 -0.397 1.00 0.00 C ATOM 1000 CG MET A 65 -9.719 1.779 -0.571 1.00 0.00 C ATOM 1001 SD MET A 65 -10.430 2.318 0.996 1.00 0.00 S ATOM 1002 CE MET A 65 -10.827 4.024 0.619 1.00 0.00 C ATOM 0 H MET A 65 -5.812 0.102 -1.298 1.00 0.00 H new ATOM 0 HA MET A 65 -8.621 -0.159 -2.132 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.475 0.310 0.362 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.651 1.807 -0.024 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.596 2.642 -1.226 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.413 1.100 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.709 4.632 1.516 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.156 4.390 -0.158 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.857 4.089 0.269 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.336 1.786 -3.656 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.094 2.806 -4.669 1.00 0.00 C ATOM 1014 C ASP A 66 -8.569 4.173 -4.187 1.00 0.00 C ATOM 1015 O ASP A 66 -9.757 4.490 -4.262 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.801 2.437 -5.974 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.391 3.331 -7.127 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.482 4.166 -6.937 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -8.979 3.197 -8.221 1.00 0.00 O ATOM 0 H ASP A 66 -9.215 1.281 -3.767 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.020 2.857 -4.849 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.577 1.400 -6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.879 2.505 -5.831 1.00 0.00 H new ATOM 1024 N SER A 67 -7.635 4.979 -3.692 1.00 0.00 N ATOM 1025 CA SER A 67 -7.959 6.310 -3.194 1.00 0.00 C ATOM 1026 C SER A 67 -8.572 7.169 -4.296 1.00 0.00 C ATOM 1027 O SER A 67 -9.314 8.113 -4.025 1.00 0.00 O ATOM 1028 CB SER A 67 -6.706 6.990 -2.640 1.00 0.00 C ATOM 1029 OG SER A 67 -7.037 7.924 -1.627 1.00 0.00 O ATOM 0 H SER A 67 -6.647 4.733 -3.625 1.00 0.00 H new ATOM 0 HA SER A 67 -8.690 6.202 -2.392 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.028 6.237 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.177 7.497 -3.447 1.00 0.00 H new ATOM 0 HG SER A 67 -6.479 7.762 -0.838 1.00 0.00 H new ATOM 1035 N THR A 68 -8.255 6.834 -5.543 1.00 0.00 N ATOM 1036 CA THR A 68 -8.772 7.574 -6.688 1.00 0.00 C ATOM 1037 C THR A 68 -10.197 7.148 -7.020 1.00 0.00 C ATOM 1038 O THR A 68 -10.938 7.881 -7.674 1.00 0.00 O ATOM 1039 CB THR A 68 -7.886 7.374 -7.932 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.268 6.178 -8.620 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.417 7.294 -7.543 1.00 0.00 C ATOM 0 H THR A 68 -7.643 6.055 -5.786 1.00 0.00 H new ATOM 0 HA THR A 68 -8.766 8.628 -6.412 1.00 0.00 H new ATOM 0 HB THR A 68 -8.025 8.231 -8.591 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.935 5.398 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.811 7.153 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.121 8.218 -7.047 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.265 6.454 -6.866 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.576 5.958 -6.563 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.914 5.436 -6.810 1.00 0.00 C ATOM 1051 C ALA A 69 -12.754 5.455 -5.537 1.00 0.00 C ATOM 1052 O ALA A 69 -13.978 5.342 -5.588 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.835 4.024 -7.371 1.00 0.00 C ATOM 0 H ALA A 69 -9.975 5.338 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.398 6.080 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.842 3.647 -7.551 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.279 4.036 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.327 3.376 -6.656 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.087 5.598 -4.396 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.773 5.630 -3.109 1.00 0.00 C ATOM 1061 C ASN A 70 -12.176 6.701 -2.201 1.00 0.00 C ATOM 1062 O ASN A 70 -10.960 6.767 -2.019 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.688 4.263 -2.428 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.090 3.130 -3.352 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.273 2.929 -3.627 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.104 2.384 -3.837 1.00 0.00 N ATOM 0 H ASN A 70 -11.073 5.693 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.820 5.874 -3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.669 4.098 -2.077 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.333 4.257 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.313 1.608 -4.465 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.138 2.587 -3.582 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.039 7.538 -1.634 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.597 8.606 -0.746 1.00 0.00 C ATOM 1075 C GLU A 71 -13.202 8.442 0.645 1.00 0.00 C ATOM 1076 O GLU A 71 -14.400 8.194 0.788 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.978 9.971 -1.323 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.019 11.084 -0.937 1.00 0.00 C ATOM 1079 CD GLU A 71 -11.926 12.167 -1.994 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -12.975 12.531 -2.565 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -10.803 12.650 -2.251 1.00 0.00 O ATOM 0 H GLU A 71 -14.048 7.497 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.512 8.547 -0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.018 9.898 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.980 10.233 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.343 11.527 0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.029 10.662 -0.766 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.366 8.582 1.669 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.817 8.451 3.049 1.00 0.00 C ATOM 1090 C VAL A 72 -12.193 9.523 3.936 1.00 0.00 C ATOM 1091 O VAL A 72 -11.032 9.888 3.760 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.475 7.063 3.622 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.310 5.986 2.946 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.990 6.774 3.466 1.00 0.00 C ATOM 0 H VAL A 72 -11.372 8.786 1.568 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.900 8.576 3.041 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.713 7.059 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.055 5.012 3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.368 6.187 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.106 5.986 1.875 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.766 5.789 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.724 6.796 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.414 7.529 4.001 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.973 10.022 4.890 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.496 11.052 5.804 1.00 0.00 C ATOM 1106 C GLU A 73 -11.540 10.463 6.838 1.00 0.00 C ATOM 1107 O GLU A 73 -10.657 11.152 7.346 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.675 11.725 6.510 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.423 10.804 7.459 1.00 0.00 C ATOM 1110 CD GLU A 73 -13.853 10.825 8.863 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -13.391 11.900 9.301 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -13.868 9.766 9.525 1.00 0.00 O ATOM 0 H GLU A 73 -13.937 9.730 5.049 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.957 11.798 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.309 12.588 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.370 12.102 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.472 11.098 7.493 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.389 9.785 7.073 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.726 9.183 7.144 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.880 8.499 8.115 1.00 0.00 C ATOM 1121 C ALA A 74 -9.427 8.472 7.654 1.00 0.00 C ATOM 1122 O ALA A 74 -8.522 8.176 8.435 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.387 7.085 8.353 1.00 0.00 C ATOM 0 H ALA A 74 -12.455 8.599 6.734 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.926 9.052 9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.746 6.586 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.407 7.124 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.372 6.530 7.415 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.209 8.782 6.380 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.864 8.793 5.815 1.00 0.00 C ATOM 1131 C VAL A 75 -7.749 9.816 4.691 1.00 0.00 C ATOM 1132 O VAL A 75 -8.455 9.733 3.685 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.471 7.406 5.274 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.232 7.506 4.398 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.246 6.432 6.421 1.00 0.00 C ATOM 0 H VAL A 75 -9.946 9.029 5.719 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.184 9.066 6.622 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.290 7.028 4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.969 6.516 4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.434 8.169 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.404 7.904 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.969 5.457 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.445 6.802 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.162 6.338 7.004 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.854 10.783 4.866 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.644 11.822 3.866 1.00 0.00 C ATOM 1147 C LYS A 76 -5.353 11.579 3.092 1.00 0.00 C ATOM 1148 O LYS A 76 -4.256 11.783 3.613 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.599 13.199 4.534 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.944 13.660 5.068 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.773 14.331 3.986 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.227 14.477 4.408 1.00 0.00 C ATOM 1153 NZ LYS A 76 -11.067 15.047 3.318 1.00 0.00 N ATOM 0 H LYS A 76 -6.262 10.868 5.692 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.478 11.791 3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.882 13.172 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.233 13.931 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.490 12.806 5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.790 14.355 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.357 15.314 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.716 13.746 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.620 13.503 4.698 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.287 15.119 5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.051 15.131 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.707 15.988 3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.030 14.421 2.488 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.490 11.143 1.843 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.334 10.874 0.996 1.00 0.00 C ATOM 1169 C VAL A 77 -4.159 11.965 -0.055 1.00 0.00 C ATOM 1170 O VAL A 77 -5.052 12.209 -0.867 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.461 9.511 0.290 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.145 9.127 -0.369 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.906 8.441 1.275 1.00 0.00 C ATOM 0 H VAL A 77 -6.390 10.969 1.396 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.460 10.857 1.647 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.219 9.593 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.254 8.161 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.873 9.883 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.364 9.061 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.991 7.484 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.173 8.357 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.874 8.713 1.695 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.001 12.617 -0.036 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.706 13.681 -0.989 1.00 0.00 C ATOM 1185 C HIS A 78 -1.538 13.295 -1.890 1.00 0.00 C ATOM 1186 O HIS A 78 -0.877 14.158 -2.470 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.389 14.982 -0.251 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.423 15.362 0.764 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.170 16.229 1.807 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.718 14.990 0.891 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.265 16.372 2.532 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.219 15.631 1.997 1.00 0.00 N ATOM 0 H HIS A 78 -2.251 12.427 0.629 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.587 13.832 -1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.424 14.883 0.245 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.292 15.788 -0.978 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.257 14.315 0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.364 16.990 3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.173 15.548 2.349 1.00 0.00 H new ATOM 1201 N SER A 79 -1.287 11.995 -2.003 1.00 0.00 N ATOM 1202 CA SER A 79 -0.195 11.495 -2.830 1.00 0.00 C ATOM 1203 C SER A 79 -0.290 9.982 -3.000 1.00 0.00 C ATOM 1204 O SER A 79 -1.093 9.321 -2.341 1.00 0.00 O ATOM 1205 CB SER A 79 1.153 11.867 -2.210 1.00 0.00 C ATOM 1206 OG SER A 79 1.413 11.093 -1.052 1.00 0.00 O ATOM 0 H SER A 79 -1.826 11.268 -1.532 1.00 0.00 H new ATOM 0 HA SER A 79 -0.275 11.958 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.947 11.713 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.158 12.926 -1.952 1.00 0.00 H new ATOM 0 HG SER A 79 2.281 11.349 -0.676 1.00 0.00 H new ATOM 1212 N PHE A 80 0.536 9.440 -3.888 1.00 0.00 N ATOM 1213 CA PHE A 80 0.546 8.004 -4.146 1.00 0.00 C ATOM 1214 C PHE A 80 1.828 7.589 -4.861 1.00 0.00 C ATOM 1215 O PHE A 80 2.441 8.367 -5.592 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.671 7.607 -4.985 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.928 8.333 -4.599 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.751 7.837 -3.601 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.286 9.511 -5.234 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.909 8.503 -3.244 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.442 10.182 -4.881 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.255 9.676 -3.885 1.00 0.00 C ATOM 0 H PHE A 80 1.207 9.973 -4.441 1.00 0.00 H new ATOM 0 HA PHE A 80 0.502 7.487 -3.187 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.457 7.801 -6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.836 6.534 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.485 6.920 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.655 9.910 -6.014 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.542 8.106 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.709 11.100 -5.383 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.160 10.197 -3.608 1.00 0.00 H new ATOM 1232 N PRO A 81 2.245 6.332 -4.645 1.00 0.00 N ATOM 1233 CA PRO A 81 1.524 5.397 -3.777 1.00 0.00 C ATOM 1234 C PRO A 81 1.616 5.785 -2.305 1.00 0.00 C ATOM 1235 O PRO A 81 2.636 6.304 -1.851 1.00 0.00 O ATOM 1236 CB PRO A 81 2.233 4.064 -4.024 1.00 0.00 C ATOM 1237 CG PRO A 81 3.604 4.441 -4.469 1.00 0.00 C ATOM 1238 CD PRO A 81 3.452 5.728 -5.232 1.00 0.00 C ATOM 0 HA PRO A 81 0.457 5.375 -3.999 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.263 3.458 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.718 3.476 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.270 4.569 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.038 3.663 -5.098 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.323 6.372 -5.111 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.333 5.550 -6.301 1.00 0.00 H new ATOM 1246 N THR A 82 0.543 5.529 -1.562 1.00 0.00 N ATOM 1247 CA THR A 82 0.503 5.851 -0.141 1.00 0.00 C ATOM 1248 C THR A 82 0.133 4.628 0.690 1.00 0.00 C ATOM 1249 O THR A 82 -0.892 3.989 0.450 1.00 0.00 O ATOM 1250 CB THR A 82 -0.504 6.980 0.151 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.020 8.218 -0.383 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.737 7.124 1.647 1.00 0.00 C ATOM 0 H THR A 82 -0.310 5.100 -1.921 1.00 0.00 H new ATOM 0 HA THR A 82 1.503 6.185 0.135 1.00 0.00 H new ATOM 0 HB THR A 82 -1.451 6.725 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.430 8.379 -1.258 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.451 7.927 1.828 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.133 6.190 2.045 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.206 7.359 2.141 1.00 0.00 H new ATOM 1260 N LEU A 83 0.973 4.308 1.669 1.00 0.00 N ATOM 1261 CA LEU A 83 0.733 3.160 2.537 1.00 0.00 C ATOM 1262 C LEU A 83 0.433 3.610 3.963 1.00 0.00 C ATOM 1263 O LEU A 83 1.051 4.544 4.475 1.00 0.00 O ATOM 1264 CB LEU A 83 1.945 2.227 2.529 1.00 0.00 C ATOM 1265 CG LEU A 83 2.540 1.912 1.156 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.821 1.106 1.301 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.531 1.163 0.297 1.00 0.00 C ATOM 0 H LEU A 83 1.825 4.827 1.881 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.134 2.622 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.725 2.672 3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.659 1.288 3.003 1.00 0.00 H new ATOM 0 HG LEU A 83 2.781 2.853 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.230 0.891 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.548 1.678 1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.605 0.170 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.971 0.947 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.258 0.228 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.640 1.776 0.164 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.519 2.938 4.602 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.899 3.266 5.971 1.00 0.00 C ATOM 1281 C LYS A 84 -1.168 2.000 6.779 1.00 0.00 C ATOM 1282 O LYS A 84 -1.996 1.172 6.398 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.141 4.160 5.978 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.020 5.375 5.075 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.808 6.555 5.619 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.517 7.827 4.838 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.351 8.566 5.396 1.00 0.00 N ATOM 0 H LYS A 84 -1.041 2.163 4.194 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.070 3.802 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.004 3.571 5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.333 4.493 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.971 5.652 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.380 5.125 4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.874 6.334 5.573 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.559 6.707 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.323 7.576 3.795 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.396 8.471 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.185 9.427 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.546 8.828 6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.506 7.961 5.359 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.463 1.856 7.896 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.626 0.690 8.758 1.00 0.00 C ATOM 1303 C PHE A 85 -1.656 0.962 9.851 1.00 0.00 C ATOM 1304 O PHE A 85 -1.607 1.992 10.523 1.00 0.00 O ATOM 1305 CB PHE A 85 0.714 0.305 9.388 1.00 0.00 C ATOM 1306 CG PHE A 85 0.595 -0.750 10.452 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.372 -0.397 11.773 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.706 -2.093 10.130 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.261 -1.365 12.754 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.596 -3.065 11.106 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.374 -2.700 12.420 1.00 0.00 C ATOM 0 H PHE A 85 0.226 2.531 8.226 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.983 -0.138 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.385 -0.052 8.607 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.173 1.195 9.819 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.284 0.646 12.039 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.880 -2.383 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.086 -1.077 13.780 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.683 -4.109 10.842 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.289 -3.458 13.185 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.587 0.030 10.022 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.630 0.168 11.032 1.00 0.00 C ATOM 1323 C PHE A 86 -3.387 -0.785 12.199 1.00 0.00 C ATOM 1324 O PHE A 86 -3.546 -2.000 12.084 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.005 -0.102 10.416 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.338 0.809 9.269 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.570 1.935 9.016 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.418 0.541 8.445 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.873 2.775 7.962 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.726 1.378 7.389 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.953 2.497 7.148 1.00 0.00 C ATOM 0 H PHE A 86 -2.641 -0.829 9.475 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.603 1.190 11.409 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.043 -1.135 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.767 0.005 11.188 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.725 2.158 9.650 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.027 -0.332 8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.266 3.648 7.775 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.570 1.157 6.753 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.193 3.153 6.324 1.00 0.00 H new ATOM 1341 N PRO A 87 -2.992 -0.221 13.350 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.718 -1.001 14.560 1.00 0.00 C ATOM 1343 C PRO A 87 -3.986 -1.589 15.170 1.00 0.00 C ATOM 1344 O PRO A 87 -5.097 -1.191 14.820 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.094 0.025 15.509 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.623 1.339 15.049 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.782 1.221 13.558 1.00 0.00 C ATOM 0 HA PRO A 87 -2.077 -1.859 14.356 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.372 -0.173 16.544 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.005 -0.002 15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.576 1.565 15.527 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.938 2.147 15.306 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.627 1.806 13.197 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.898 1.579 13.030 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.812 -2.537 16.085 1.00 0.00 N ATOM 1356 CA ALA A 88 -4.943 -3.177 16.746 1.00 0.00 C ATOM 1357 C ALA A 88 -5.559 -2.258 17.794 1.00 0.00 C ATOM 1358 O ALA A 88 -5.553 -2.567 18.986 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.509 -4.490 17.381 1.00 0.00 C ATOM 0 H ALA A 88 -2.899 -2.879 16.385 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.703 -3.384 15.992 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.363 -4.957 17.871 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.123 -5.157 16.610 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.729 -4.298 18.118 1.00 0.00 H new ATOM 1422 N THR A 93 -7.030 3.903 14.567 1.00 0.00 N ATOM 1423 CA THR A 93 -5.770 4.626 14.445 1.00 0.00 C ATOM 1424 C THR A 93 -5.056 4.272 13.146 1.00 0.00 C ATOM 1425 O THR A 93 -5.292 3.213 12.564 1.00 0.00 O ATOM 1426 CB THR A 93 -4.833 4.326 15.630 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.425 4.784 16.851 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.481 4.995 15.434 1.00 0.00 C ATOM 0 HA THR A 93 -6.015 5.688 14.444 1.00 0.00 H new ATOM 0 HB THR A 93 -4.683 3.248 15.682 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.401 4.763 16.769 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.837 4.769 16.283 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.020 4.622 14.519 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.616 6.074 15.359 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.181 5.165 12.694 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.431 4.947 11.464 1.00 0.00 C ATOM 1438 C VAL A 94 -1.968 5.338 11.635 1.00 0.00 C ATOM 1439 O VAL A 94 -1.654 6.334 12.287 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.031 5.745 10.291 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.086 5.737 9.100 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.392 5.184 9.906 1.00 0.00 C ATOM 0 H VAL A 94 -3.974 6.047 13.162 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.495 3.882 11.239 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.166 6.779 10.610 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.527 6.306 8.282 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.137 6.190 9.386 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.916 4.710 8.778 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.801 5.760 9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.284 4.142 9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.067 5.248 10.760 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.077 4.549 11.044 1.00 0.00 N ATOM 1453 CA ILE A 95 0.354 4.815 11.130 1.00 0.00 C ATOM 1454 C ILE A 95 0.955 5.042 9.747 1.00 0.00 C ATOM 1455 O ILE A 95 0.650 4.317 8.800 1.00 0.00 O ATOM 1456 CB ILE A 95 1.101 3.657 11.818 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.673 3.545 13.283 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.605 3.862 11.715 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.370 2.431 14.032 1.00 0.00 C ATOM 0 H ILE A 95 -1.320 3.721 10.501 1.00 0.00 H new ATOM 0 HA ILE A 95 0.472 5.719 11.728 1.00 0.00 H new ATOM 0 HB ILE A 95 0.845 2.727 11.311 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.874 4.491 13.785 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.404 3.383 13.327 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.119 3.036 12.206 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.896 3.898 10.665 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.879 4.799 12.200 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.018 2.410 15.063 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.148 1.477 13.554 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.446 2.602 14.019 1.00 0.00 H new ATOM 1471 N ASP A 96 1.811 6.051 9.639 1.00 0.00 N ATOM 1472 CA ASP A 96 2.458 6.373 8.372 1.00 0.00 C ATOM 1473 C ASP A 96 3.611 5.414 8.092 1.00 0.00 C ATOM 1474 O ASP A 96 4.406 5.106 8.980 1.00 0.00 O ATOM 1475 CB ASP A 96 2.970 7.814 8.387 1.00 0.00 C ATOM 1476 CG ASP A 96 3.881 8.093 9.566 1.00 0.00 C ATOM 1477 OD1 ASP A 96 3.389 8.071 10.714 1.00 0.00 O ATOM 1478 OD2 ASP A 96 5.086 8.331 9.341 1.00 0.00 O ATOM 0 H ASP A 96 2.074 6.661 10.413 1.00 0.00 H new ATOM 0 HA ASP A 96 1.719 6.267 7.578 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.508 8.015 7.461 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.122 8.498 8.418 1.00 0.00 H new ATOM 1483 N TYR A 97 3.695 4.944 6.852 1.00 0.00 N ATOM 1484 CA TYR A 97 4.748 4.017 6.456 1.00 0.00 C ATOM 1485 C TYR A 97 5.808 4.723 5.616 1.00 0.00 C ATOM 1486 O TYR A 97 5.587 5.026 4.444 1.00 0.00 O ATOM 1487 CB TYR A 97 4.156 2.845 5.670 1.00 0.00 C ATOM 1488 CG TYR A 97 5.173 1.788 5.302 1.00 0.00 C ATOM 1489 CD1 TYR A 97 6.018 1.960 4.212 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.287 0.618 6.042 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.948 0.996 3.871 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.215 -0.350 5.709 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.043 -0.156 4.623 1.00 0.00 C ATOM 1494 OH TYR A 97 7.968 -1.118 4.288 1.00 0.00 O ATOM 0 H TYR A 97 3.046 5.190 6.104 1.00 0.00 H new ATOM 0 HA TYR A 97 5.221 3.637 7.361 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.364 2.385 6.261 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.694 3.226 4.759 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.947 2.862 3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.639 0.462 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.597 1.144 3.020 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.292 -1.253 6.296 1.00 0.00 H new ATOM 0 HH TYR A 97 7.592 -1.709 3.602 1.00 0.00 H new ATOM 1504 N ASN A 98 6.961 4.982 6.225 1.00 0.00 N ATOM 1505 CA ASN A 98 8.057 5.652 5.535 1.00 0.00 C ATOM 1506 C ASN A 98 9.311 4.784 5.534 1.00 0.00 C ATOM 1507 O ASN A 98 10.289 5.088 6.216 1.00 0.00 O ATOM 1508 CB ASN A 98 8.355 6.999 6.196 1.00 0.00 C ATOM 1509 CG ASN A 98 7.450 8.105 5.690 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.251 8.257 4.484 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.896 8.885 6.611 1.00 0.00 N ATOM 0 H ASN A 98 7.160 4.738 7.195 1.00 0.00 H new ATOM 0 HA ASN A 98 7.754 5.821 4.502 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.239 6.904 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.394 7.270 6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.278 9.646 6.330 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.089 8.723 7.599 1.00 0.00 H new ATOM 1518 N GLY A 99 9.275 3.702 4.762 1.00 0.00 N ATOM 1519 CA GLY A 99 10.415 2.807 4.686 1.00 0.00 C ATOM 1520 C GLY A 99 10.892 2.594 3.263 1.00 0.00 C ATOM 1521 O GLY A 99 10.781 3.489 2.425 1.00 0.00 O ATOM 0 H GLY A 99 8.477 3.429 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.232 3.213 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.148 1.845 5.124 1.00 0.00 H new ATOM 1525 N GLU A 100 11.425 1.407 2.990 1.00 0.00 N ATOM 1526 CA GLU A 100 11.922 1.082 1.658 1.00 0.00 C ATOM 1527 C GLU A 100 10.769 0.911 0.674 1.00 0.00 C ATOM 1528 O GLU A 100 10.898 1.223 -0.510 1.00 0.00 O ATOM 1529 CB GLU A 100 12.764 -0.195 1.702 1.00 0.00 C ATOM 1530 CG GLU A 100 12.028 -1.389 2.285 1.00 0.00 C ATOM 1531 CD GLU A 100 12.967 -2.411 2.896 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.604 -3.164 2.129 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.063 -2.460 4.140 1.00 0.00 O ATOM 0 H GLU A 100 11.524 0.655 3.673 1.00 0.00 H new ATOM 0 HA GLU A 100 12.546 1.909 1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.092 -0.439 0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.661 -0.008 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.328 -1.044 3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.438 -1.865 1.502 1.00 0.00 H new ATOM 1540 N ARG A 101 9.642 0.412 1.172 1.00 0.00 N ATOM 1541 CA ARG A 101 8.467 0.196 0.337 1.00 0.00 C ATOM 1542 C ARG A 101 8.667 -1.003 -0.585 1.00 0.00 C ATOM 1543 O ARG A 101 8.342 -0.949 -1.772 1.00 0.00 O ATOM 1544 CB ARG A 101 8.169 1.447 -0.492 1.00 0.00 C ATOM 1545 CG ARG A 101 6.731 1.526 -0.980 1.00 0.00 C ATOM 1546 CD ARG A 101 6.612 2.387 -2.227 1.00 0.00 C ATOM 1547 NE ARG A 101 6.838 3.801 -1.940 1.00 0.00 N ATOM 1548 CZ ARG A 101 6.980 4.728 -2.880 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.921 4.392 -4.162 1.00 0.00 N ATOM 1550 NH2 ARG A 101 7.183 5.994 -2.540 1.00 0.00 N ATOM 0 H ARG A 101 9.518 0.150 2.150 1.00 0.00 H new ATOM 0 HA ARG A 101 7.620 -0.009 0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.390 2.331 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.838 1.470 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.362 0.523 -1.193 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.100 1.937 -0.192 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.333 2.049 -2.971 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.621 2.259 -2.662 1.00 0.00 H new ATOM 0 HE ARG A 101 6.890 4.092 -0.964 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.766 3.419 -4.428 1.00 0.00 H new ATOM 0 HH12 ARG A 101 7.030 5.106 -4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 101 7.230 6.256 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.292 6.705 -3.263 1.00 0.00 H new ATOM 1564 N THR A 102 9.206 -2.085 -0.032 1.00 0.00 N ATOM 1565 CA THR A 102 9.452 -3.296 -0.804 1.00 0.00 C ATOM 1566 C THR A 102 8.785 -4.505 -0.157 1.00 0.00 C ATOM 1567 O THR A 102 8.431 -4.475 1.023 1.00 0.00 O ATOM 1568 CB THR A 102 10.960 -3.573 -0.950 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.545 -3.794 0.338 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.659 -2.411 -1.637 1.00 0.00 C ATOM 0 H THR A 102 9.481 -2.147 0.948 1.00 0.00 H new ATOM 0 HA THR A 102 9.023 -3.133 -1.793 1.00 0.00 H new ATOM 0 HB THR A 102 11.085 -4.466 -1.563 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.413 -3.341 0.385 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.723 -2.629 -1.729 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.232 -2.264 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.524 -1.505 -1.046 1.00 0.00 H new ATOM 1578 N LEU A 103 8.616 -5.568 -0.935 1.00 0.00 N ATOM 1579 CA LEU A 103 7.992 -6.789 -0.437 1.00 0.00 C ATOM 1580 C LEU A 103 8.648 -7.246 0.862 1.00 0.00 C ATOM 1581 O LEU A 103 7.965 -7.584 1.829 1.00 0.00 O ATOM 1582 CB LEU A 103 8.086 -7.898 -1.486 1.00 0.00 C ATOM 1583 CG LEU A 103 7.562 -9.271 -1.062 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.071 -9.205 -0.769 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.850 -10.308 -2.137 1.00 0.00 C ATOM 0 H LEU A 103 8.902 -5.609 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 103 6.942 -6.575 -0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.537 -7.580 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.130 -8.005 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 103 8.079 -9.570 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.715 -10.191 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.890 -8.493 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.538 -8.884 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.470 -11.278 -1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.361 -10.015 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.926 -10.375 -2.299 1.00 0.00 H new ATOM 1597 N ASP A 104 9.976 -7.251 0.878 1.00 0.00 N ATOM 1598 CA ASP A 104 10.725 -7.663 2.059 1.00 0.00 C ATOM 1599 C ASP A 104 10.697 -6.573 3.127 1.00 0.00 C ATOM 1600 O ASP A 104 10.672 -6.863 4.323 1.00 0.00 O ATOM 1601 CB ASP A 104 12.172 -7.989 1.685 1.00 0.00 C ATOM 1602 CG ASP A 104 12.792 -9.017 2.610 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.650 -10.227 2.332 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.419 -8.613 3.611 1.00 0.00 O ATOM 0 H ASP A 104 10.556 -6.974 0.086 1.00 0.00 H new ATOM 0 HA ASP A 104 10.252 -8.558 2.464 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.205 -8.360 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.766 -7.075 1.712 1.00 0.00 H new ATOM 1609 N GLY A 105 10.702 -5.319 2.687 1.00 0.00 N ATOM 1610 CA GLY A 105 10.678 -4.206 3.617 1.00 0.00 C ATOM 1611 C GLY A 105 9.389 -4.142 4.411 1.00 0.00 C ATOM 1612 O GLY A 105 9.388 -3.743 5.576 1.00 0.00 O ATOM 0 H GLY A 105 10.722 -5.054 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.520 -4.292 4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.809 -3.274 3.067 1.00 0.00 H new ATOM 1616 N PHE A 106 8.287 -4.535 3.781 1.00 0.00 N ATOM 1617 CA PHE A 106 6.984 -4.518 4.436 1.00 0.00 C ATOM 1618 C PHE A 106 6.951 -5.498 5.605 1.00 0.00 C ATOM 1619 O PHE A 106 6.483 -5.167 6.695 1.00 0.00 O ATOM 1620 CB PHE A 106 5.881 -4.864 3.433 1.00 0.00 C ATOM 1621 CG PHE A 106 5.702 -3.831 2.359 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.705 -2.481 2.670 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.529 -4.209 1.037 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.539 -1.527 1.684 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.363 -3.260 0.046 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.369 -1.917 0.369 1.00 0.00 C ATOM 0 H PHE A 106 8.270 -4.869 2.817 1.00 0.00 H new ATOM 0 HA PHE A 106 6.812 -3.513 4.822 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.111 -5.823 2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.940 -4.987 3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.839 -2.170 3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.524 -5.257 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.542 -0.478 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.229 -3.568 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.241 -1.174 -0.404 1.00 0.00 H new ATOM 1636 N LYS A 107 7.450 -6.707 5.371 1.00 0.00 N ATOM 1637 CA LYS A 107 7.479 -7.736 6.403 1.00 0.00 C ATOM 1638 C LYS A 107 8.180 -7.229 7.658 1.00 0.00 C ATOM 1639 O LYS A 107 7.721 -7.462 8.776 1.00 0.00 O ATOM 1640 CB LYS A 107 8.186 -8.990 5.882 1.00 0.00 C ATOM 1641 CG LYS A 107 7.851 -9.321 4.437 1.00 0.00 C ATOM 1642 CD LYS A 107 7.921 -10.816 4.178 1.00 0.00 C ATOM 1643 CE LYS A 107 8.330 -11.114 2.744 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.807 -11.245 2.604 1.00 0.00 N ATOM 0 H LYS A 107 7.840 -6.998 4.475 1.00 0.00 H new ATOM 0 HA LYS A 107 6.450 -7.986 6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.264 -8.854 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.916 -9.837 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.851 -8.956 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.544 -8.803 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.635 -11.272 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.950 -11.268 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 107 7.851 -12.036 2.414 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.973 -10.317 2.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.082 -11.042 1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.277 -10.571 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.095 -12.213 2.851 1.00 0.00 H new ATOM 1658 N LYS A 108 9.295 -6.532 7.467 1.00 0.00 N ATOM 1659 CA LYS A 108 10.060 -5.988 8.583 1.00 0.00 C ATOM 1660 C LYS A 108 9.202 -5.047 9.422 1.00 0.00 C ATOM 1661 O LYS A 108 9.208 -5.116 10.652 1.00 0.00 O ATOM 1662 CB LYS A 108 11.296 -5.247 8.068 1.00 0.00 C ATOM 1663 CG LYS A 108 12.058 -6.006 6.997 1.00 0.00 C ATOM 1664 CD LYS A 108 13.542 -5.683 7.033 1.00 0.00 C ATOM 1665 CE LYS A 108 13.824 -4.295 6.477 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.267 -4.107 6.162 1.00 0.00 N ATOM 0 H LYS A 108 9.690 -6.330 6.548 1.00 0.00 H new ATOM 0 HA LYS A 108 10.379 -6.819 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.989 -4.281 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.965 -5.048 8.905 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.915 -7.077 7.137 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.654 -5.756 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.904 -5.746 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.091 -6.426 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.232 -4.138 5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.509 -3.543 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.418 -3.149 5.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.830 -4.232 7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.562 -4.808 5.453 1.00 0.00 H new ATOM 1680 N PHE A 109 8.464 -4.169 8.751 1.00 0.00 N ATOM 1681 CA PHE A 109 7.600 -3.214 9.436 1.00 0.00 C ATOM 1682 C PHE A 109 6.457 -3.930 10.150 1.00 0.00 C ATOM 1683 O PHE A 109 6.167 -3.653 11.315 1.00 0.00 O ATOM 1684 CB PHE A 109 7.038 -2.198 8.440 1.00 0.00 C ATOM 1685 CG PHE A 109 6.174 -1.148 9.078 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.731 0.024 9.565 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.806 -1.332 9.191 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.939 0.991 10.153 1.00 0.00 C ATOM 1689 CE2 PHE A 109 4.008 -0.368 9.779 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.575 0.796 10.259 1.00 0.00 C ATOM 0 H PHE A 109 8.447 -4.099 7.734 1.00 0.00 H new ATOM 0 HA PHE A 109 8.198 -2.689 10.181 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.865 -1.712 7.923 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.456 -2.726 7.684 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.796 0.183 9.484 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.357 -2.240 8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.386 1.899 10.530 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.943 -0.525 9.863 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.954 1.552 10.716 1.00 0.00 H new ATOM 1700 N LEU A 110 5.810 -4.850 9.443 1.00 0.00 N ATOM 1701 CA LEU A 110 4.698 -5.606 10.008 1.00 0.00 C ATOM 1702 C LEU A 110 5.162 -6.464 11.181 1.00 0.00 C ATOM 1703 O LEU A 110 4.712 -6.280 12.312 1.00 0.00 O ATOM 1704 CB LEU A 110 4.060 -6.491 8.935 1.00 0.00 C ATOM 1705 CG LEU A 110 3.442 -5.760 7.743 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.215 -6.722 6.587 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.136 -5.092 8.146 1.00 0.00 C ATOM 0 H LEU A 110 6.036 -5.090 8.478 1.00 0.00 H new ATOM 0 HA LEU A 110 3.956 -4.895 10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.819 -7.178 8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.286 -7.097 9.405 1.00 0.00 H new ATOM 0 HG LEU A 110 4.137 -4.987 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.775 -6.184 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.168 -7.155 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.540 -7.517 6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.710 -4.576 7.285 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.435 -5.848 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.326 -4.372 8.942 1.00 0.00 H new ATOM 1719 N GLU A 111 6.066 -7.398 10.903 1.00 0.00 N ATOM 1720 CA GLU A 111 6.591 -8.282 11.937 1.00 0.00 C ATOM 1721 C GLU A 111 6.908 -7.503 13.210 1.00 0.00 C ATOM 1722 O GLU A 111 6.737 -8.010 14.319 1.00 0.00 O ATOM 1723 CB GLU A 111 7.849 -8.996 11.437 1.00 0.00 C ATOM 1724 CG GLU A 111 7.572 -10.043 10.371 1.00 0.00 C ATOM 1725 CD GLU A 111 8.578 -11.177 10.391 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.126 -11.465 11.475 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.816 -11.777 9.322 1.00 0.00 O ATOM 0 H GLU A 111 6.449 -7.562 9.972 1.00 0.00 H new ATOM 0 HA GLU A 111 5.827 -9.024 12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.541 -8.256 11.036 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.346 -9.473 12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.571 -10.448 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.584 -9.569 9.390 1.00 0.00 H new ATOM 1734 N SER A 112 7.371 -6.269 13.042 1.00 0.00 N ATOM 1735 CA SER A 112 7.715 -5.420 14.177 1.00 0.00 C ATOM 1736 C SER A 112 6.465 -5.009 14.948 1.00 0.00 C ATOM 1737 O SER A 112 6.450 -5.014 16.178 1.00 0.00 O ATOM 1738 CB SER A 112 8.467 -4.176 13.701 1.00 0.00 C ATOM 1739 OG SER A 112 9.793 -4.497 13.318 1.00 0.00 O ATOM 0 H SER A 112 7.517 -5.834 12.131 1.00 0.00 H new ATOM 0 HA SER A 112 8.359 -5.992 14.844 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.940 -3.729 12.858 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.485 -3.431 14.497 1.00 0.00 H new ATOM 0 HG SER A 112 9.807 -4.755 12.373 1.00 0.00 H new ATOM 1745 N GLY A 113 5.415 -4.653 14.213 1.00 0.00 N ATOM 1746 CA GLY A 113 4.173 -4.243 14.843 1.00 0.00 C ATOM 1747 C GLY A 113 3.862 -2.778 14.612 1.00 0.00 C ATOM 1748 O GLY A 113 3.202 -2.140 15.431 1.00 0.00 O ATOM 0 H GLY A 113 5.402 -4.641 13.193 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.355 -4.850 14.456 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.232 -4.434 15.914 1.00 0.00 H new ATOM 1752 N GLY A 114 4.339 -2.242 13.492 1.00 0.00 N ATOM 1753 CA GLY A 114 4.099 -0.847 13.177 1.00 0.00 C ATOM 1754 C GLY A 114 4.874 0.094 14.079 1.00 0.00 C ATOM 1755 O GLY A 114 4.309 1.036 14.634 1.00 0.00 O ATOM 0 H GLY A 114 4.887 -2.750 12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.375 -0.660 12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.033 -0.636 13.267 1.00 0.00 H new