USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 983 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -0.412 K(o=-0.38,f=-4.1!) USER MOD Set 1.2: A 122 THR OG1 : rot 100:sc= 0.0329 USER MOD Set 2.1: A 95 TYR OH : rot 150:sc= 0 USER MOD Set 2.2: A 119 LYS NZ :NH3+ 143:sc= -0.0708 (180deg=-0.86) USER MOD Set 3.1: A 83 MET CE :methyl 154:sc= -0.236 (180deg=-1.35!) USER MOD Set 3.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 63 THR OG1 : rot -68:sc= 0.0987 USER MOD Set 4.2: A 76 LYS NZ :NH3+ -109:sc= -0.533 (180deg=-1.73) USER MOD Set 5.1: A 40 ASN : amide:sc= -5.61! K(o=-5.6!,f=-3.8) USER MOD Set 5.2: A 62 HIS : no HE2:sc= 0.00759 K(o=-5.6,f=-3.8) USER MOD Set 6.1: A 38 GLN : amide:sc= -5! K(o=-6.3!,f=-4.3) USER MOD Set 6.2: A 44 SER OG : rot 120:sc= -1.28 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0.644 (180deg=0) USER MOD Single : A 12 SER OG : rot -140:sc= -0.392 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -7.37! (180deg=-8.99!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= 0.362 (180deg=0.2) USER MOD Single : A 30 TYR OH : rot 30:sc= -3.42! USER MOD Single : A 35 THR OG1 : rot -170:sc= -0.94 USER MOD Single : A 49 ASN : amide:sc= -0.796 K(o=-0.8,f=-1.9) USER MOD Single : A 51 SER OG : rot 180:sc= -0.401 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= -1.06 USER MOD Single : A 69 ASN : amide:sc= -2.02! C(o=-2!,f=-2.9!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -7.9! C(o=-7.9!,f=-16!) USER MOD Single : A 73 THR OG1 : rot -170:sc= -1.3 USER MOD Single : A 74 ASN : amide:sc= -0.219 K(o=-0.22,f=-9.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 80:sc= 1 USER MOD Single : A 87 LYS NZ :NH3+ -144:sc= -0.0791 (180deg=-1.1) USER MOD Single : A 90 ASN : amide:sc= -0.0405 K(o=-0.041,f=-2.3!) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= -2.61 (180deg=-2.62) USER MOD Single : A 96 LYS NZ :NH3+ 161:sc= -0.0448 (180deg=-0.389) USER MOD Single : A 97 MET CE :methyl -162:sc= -0.11 (180deg=-0.376) USER MOD Single : A 98 THR OG1 : rot 81:sc= 1.07 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 120 GLN : amide:sc= -4.8! C(o=-4.8!,f=-7.5!) USER MOD Single : A 125 THR OG1 : rot 120:sc= -1.8 USER MOD Single : A 126 CYS SG : rot -91:sc= -0.589! USER MOD Single : A 129 TYR OH : rot 146:sc= -1.32 USER MOD Single : A 130 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.4!) USER MOD Single : A 132 LYS NZ :NH3+ 154:sc= -0.157 (180deg=-1.02) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.00725 USER MOD Single : A 138 LYS NZ :NH3+ 163:sc= -0.0417 (180deg=-0.364) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 177:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 7 12.527 11.073 0.551 1.00 0.00 N ATOM 101 CA ILE A 7 11.041 11.026 0.718 1.00 0.00 C ATOM 102 C ILE A 7 10.544 12.460 0.981 1.00 0.00 C ATOM 103 O ILE A 7 10.542 12.914 2.108 1.00 0.00 O ATOM 104 CB ILE A 7 10.678 10.134 1.923 1.00 0.00 C ATOM 105 CG1 ILE A 7 11.273 8.733 1.719 1.00 0.00 C ATOM 106 CG2 ILE A 7 9.148 10.024 2.047 1.00 0.00 C ATOM 107 CD1 ILE A 7 10.801 7.798 2.832 1.00 0.00 C ATOM 0 HA ILE A 7 10.576 10.616 -0.179 1.00 0.00 H new ATOM 0 HB ILE A 7 11.083 10.577 2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.971 8.338 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 7 12.362 8.788 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.896 9.393 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.722 11.017 2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.740 9.584 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.228 6.807 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.125 8.188 3.797 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.713 7.732 2.814 1.00 0.00 H new ATOM 119 N PRO A 8 10.130 13.174 -0.045 1.00 0.00 N ATOM 120 CA PRO A 8 9.635 14.577 0.101 1.00 0.00 C ATOM 121 C PRO A 8 8.645 14.739 1.261 1.00 0.00 C ATOM 122 O PRO A 8 8.092 13.779 1.758 1.00 0.00 O ATOM 123 CB PRO A 8 8.955 14.857 -1.243 1.00 0.00 C ATOM 124 CG PRO A 8 9.697 14.007 -2.220 1.00 0.00 C ATOM 125 CD PRO A 8 10.090 12.738 -1.456 1.00 0.00 C ATOM 0 HA PRO A 8 10.443 15.270 0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 8 7.897 14.598 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.017 15.913 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.074 13.767 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.579 14.525 -2.598 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.364 11.939 -1.607 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.057 12.357 -1.784 1.00 0.00 H new ATOM 133 N LYS A 9 8.422 15.956 1.691 1.00 0.00 N ATOM 134 CA LYS A 9 7.471 16.208 2.817 1.00 0.00 C ATOM 135 C LYS A 9 6.154 16.752 2.257 1.00 0.00 C ATOM 136 O LYS A 9 5.158 16.820 2.949 1.00 0.00 O ATOM 137 CB LYS A 9 8.081 17.241 3.769 1.00 0.00 C ATOM 138 CG LYS A 9 9.191 16.582 4.591 1.00 0.00 C ATOM 139 CD LYS A 9 9.760 17.593 5.595 1.00 0.00 C ATOM 140 CE LYS A 9 10.425 18.762 4.853 1.00 0.00 C ATOM 141 NZ LYS A 9 11.455 19.383 5.733 1.00 0.00 N ATOM 0 H LYS A 9 8.862 16.792 1.307 1.00 0.00 H new ATOM 0 HA LYS A 9 7.283 15.278 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.483 18.081 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.312 17.641 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.799 15.712 5.118 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.982 16.225 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.962 17.967 6.237 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.487 17.103 6.243 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.885 18.408 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.676 19.502 4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.907 20.175 5.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.003 19.734 6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.174 18.674 5.980 1.00 0.00 H new ATOM 155 N ASP A 10 6.140 17.138 1.011 1.00 0.00 N ATOM 156 CA ASP A 10 4.884 17.676 0.413 1.00 0.00 C ATOM 157 C ASP A 10 3.943 16.517 0.082 1.00 0.00 C ATOM 158 O ASP A 10 4.181 15.751 -0.832 1.00 0.00 O ATOM 159 CB ASP A 10 5.210 18.445 -0.867 1.00 0.00 C ATOM 160 CG ASP A 10 6.385 19.391 -0.610 1.00 0.00 C ATOM 161 OD1 ASP A 10 7.504 18.911 -0.545 1.00 0.00 O ATOM 162 OD2 ASP A 10 6.144 20.580 -0.482 1.00 0.00 O ATOM 0 H ASP A 10 6.942 17.105 0.381 1.00 0.00 H new ATOM 0 HA ASP A 10 4.404 18.347 1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.458 17.749 -1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 10 4.339 19.011 -1.195 1.00 0.00 H new ATOM 167 N LYS A 11 2.876 16.382 0.817 1.00 0.00 N ATOM 168 CA LYS A 11 1.917 15.277 0.551 1.00 0.00 C ATOM 169 C LYS A 11 1.371 15.402 -0.877 1.00 0.00 C ATOM 170 O LYS A 11 0.565 14.602 -1.307 1.00 0.00 O ATOM 171 CB LYS A 11 0.760 15.367 1.551 1.00 0.00 C ATOM 172 CG LYS A 11 1.203 14.821 2.913 1.00 0.00 C ATOM 173 CD LYS A 11 2.334 15.687 3.477 1.00 0.00 C ATOM 174 CE LYS A 11 2.477 15.439 4.980 1.00 0.00 C ATOM 175 NZ LYS A 11 3.742 16.057 5.467 1.00 0.00 N ATOM 0 H LYS A 11 2.626 16.993 1.595 1.00 0.00 H new ATOM 0 HA LYS A 11 2.423 14.318 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.436 16.403 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.095 14.800 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.360 14.813 3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.540 13.789 2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.270 15.454 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.125 16.741 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.625 15.862 5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.481 14.368 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.277 15.360 6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.314 16.364 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.519 16.879 6.064 1.00 0.00 H new ATOM 189 N SER A 12 1.797 16.406 -1.608 1.00 0.00 N ATOM 190 CA SER A 12 1.298 16.601 -3.010 1.00 0.00 C ATOM 191 C SER A 12 2.440 16.406 -4.012 1.00 0.00 C ATOM 192 O SER A 12 2.511 17.089 -5.015 1.00 0.00 O ATOM 193 CB SER A 12 0.748 18.021 -3.152 1.00 0.00 C ATOM 194 OG SER A 12 -0.275 18.226 -2.186 1.00 0.00 O ATOM 0 H SER A 12 2.472 17.103 -1.293 1.00 0.00 H new ATOM 0 HA SER A 12 0.516 15.870 -3.214 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.547 18.749 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.352 18.171 -4.156 1.00 0.00 H new ATOM 0 HG SER A 12 -1.007 18.739 -2.588 1.00 0.00 H new ATOM 200 N LYS A 13 3.333 15.482 -3.760 1.00 0.00 N ATOM 201 CA LYS A 13 4.463 15.250 -4.712 1.00 0.00 C ATOM 202 C LYS A 13 4.795 13.758 -4.766 1.00 0.00 C ATOM 203 O LYS A 13 4.722 13.054 -3.777 1.00 0.00 O ATOM 204 CB LYS A 13 5.694 16.034 -4.243 1.00 0.00 C ATOM 205 CG LYS A 13 6.662 16.214 -5.417 1.00 0.00 C ATOM 206 CD LYS A 13 7.927 16.940 -4.946 1.00 0.00 C ATOM 207 CE LYS A 13 7.575 18.333 -4.392 1.00 0.00 C ATOM 208 NZ LYS A 13 7.445 18.254 -2.910 1.00 0.00 N ATOM 0 H LYS A 13 3.329 14.879 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 13 4.173 15.589 -5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.393 17.007 -3.854 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.188 15.504 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.925 15.242 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.181 16.783 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.426 16.351 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.627 17.038 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.349 19.051 -4.663 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.643 18.687 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.686 18.891 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.216 17.278 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.342 18.538 -2.467 1.00 0.00 H new ATOM 222 N VAL A 14 5.155 13.272 -5.921 1.00 0.00 N ATOM 223 CA VAL A 14 5.490 11.828 -6.057 1.00 0.00 C ATOM 224 C VAL A 14 6.665 11.473 -5.145 1.00 0.00 C ATOM 225 O VAL A 14 7.578 12.251 -4.949 1.00 0.00 O ATOM 226 CB VAL A 14 5.863 11.525 -7.514 1.00 0.00 C ATOM 227 CG1 VAL A 14 6.422 10.102 -7.626 1.00 0.00 C ATOM 228 CG2 VAL A 14 4.618 11.645 -8.393 1.00 0.00 C ATOM 0 H VAL A 14 5.232 13.816 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 14 4.624 11.233 -5.768 1.00 0.00 H new ATOM 0 HB VAL A 14 6.620 12.237 -7.843 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.684 9.895 -8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.311 10.010 -7.002 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.669 9.388 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.882 11.430 -9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.864 10.934 -8.055 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.219 12.657 -8.323 1.00 0.00 H new ATOM 238 N ALA A 15 6.649 10.286 -4.606 1.00 0.00 N ATOM 239 CA ALA A 15 7.756 9.828 -3.719 1.00 0.00 C ATOM 240 C ALA A 15 7.968 8.336 -3.963 1.00 0.00 C ATOM 241 O ALA A 15 8.660 7.661 -3.227 1.00 0.00 O ATOM 242 CB ALA A 15 7.375 10.063 -2.259 1.00 0.00 C ATOM 0 H ALA A 15 5.904 9.603 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 15 8.670 10.381 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.186 9.727 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.197 11.126 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.469 9.504 -2.025 1.00 0.00 H new ATOM 248 N GLY A 16 7.367 7.823 -5.001 1.00 0.00 N ATOM 249 CA GLY A 16 7.508 6.380 -5.322 1.00 0.00 C ATOM 250 C GLY A 16 6.442 5.993 -6.348 1.00 0.00 C ATOM 251 O GLY A 16 5.580 6.781 -6.685 1.00 0.00 O ATOM 0 H GLY A 16 6.778 8.350 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.503 6.178 -5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.397 5.780 -4.419 1.00 0.00 H new ATOM 255 N TYR A 17 6.491 4.788 -6.850 1.00 0.00 N ATOM 256 CA TYR A 17 5.478 4.356 -7.860 1.00 0.00 C ATOM 257 C TYR A 17 5.232 2.851 -7.713 1.00 0.00 C ATOM 258 O TYR A 17 6.128 2.045 -7.866 1.00 0.00 O ATOM 259 CB TYR A 17 6.010 4.676 -9.281 1.00 0.00 C ATOM 260 CG TYR A 17 5.257 5.846 -9.888 1.00 0.00 C ATOM 261 CD1 TYR A 17 3.924 5.686 -10.284 1.00 0.00 C ATOM 262 CD2 TYR A 17 5.893 7.084 -10.058 1.00 0.00 C ATOM 263 CE1 TYR A 17 3.226 6.761 -10.848 1.00 0.00 C ATOM 264 CE2 TYR A 17 5.194 8.158 -10.622 1.00 0.00 C ATOM 265 CZ TYR A 17 3.861 7.996 -11.017 1.00 0.00 C ATOM 266 OH TYR A 17 3.173 9.055 -11.573 1.00 0.00 O ATOM 0 H TYR A 17 7.187 4.084 -6.606 1.00 0.00 H new ATOM 0 HA TYR A 17 4.539 4.887 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 17 7.074 4.908 -9.232 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.904 3.799 -9.920 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.433 4.733 -10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 17 6.922 7.209 -9.754 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.197 6.637 -11.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.684 9.112 -10.752 1.00 0.00 H new ATOM 0 HH TYR A 17 3.760 9.839 -11.618 1.00 0.00 H new ATOM 276 N ILE A 18 4.013 2.470 -7.430 1.00 0.00 N ATOM 277 CA ILE A 18 3.690 1.020 -7.288 1.00 0.00 C ATOM 278 C ILE A 18 3.113 0.526 -8.612 1.00 0.00 C ATOM 279 O ILE A 18 2.372 1.229 -9.271 1.00 0.00 O ATOM 280 CB ILE A 18 2.655 0.837 -6.172 1.00 0.00 C ATOM 281 CG1 ILE A 18 2.394 -0.661 -5.941 1.00 0.00 C ATOM 282 CG2 ILE A 18 1.347 1.521 -6.573 1.00 0.00 C ATOM 283 CD1 ILE A 18 3.661 -1.354 -5.415 1.00 0.00 C ATOM 0 H ILE A 18 3.226 3.103 -7.291 1.00 0.00 H new ATOM 0 HA ILE A 18 4.587 0.453 -7.037 1.00 0.00 H new ATOM 0 HB ILE A 18 3.037 1.282 -5.254 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.580 -0.788 -5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.077 -1.129 -6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.611 1.391 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.526 2.584 -6.731 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.971 1.075 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.458 -2.413 -5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.465 -1.243 -6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.960 -0.898 -4.471 1.00 0.00 H new ATOM 295 N GLU A 19 3.449 -0.670 -9.020 1.00 0.00 N ATOM 296 CA GLU A 19 2.920 -1.190 -10.318 1.00 0.00 C ATOM 297 C GLU A 19 2.672 -2.700 -10.219 1.00 0.00 C ATOM 298 O GLU A 19 3.475 -3.441 -9.688 1.00 0.00 O ATOM 299 CB GLU A 19 3.944 -0.911 -11.423 1.00 0.00 C ATOM 300 CG GLU A 19 4.551 0.480 -11.223 1.00 0.00 C ATOM 301 CD GLU A 19 5.472 0.809 -12.398 1.00 0.00 C ATOM 302 OE1 GLU A 19 6.054 -0.113 -12.945 1.00 0.00 O ATOM 303 OE2 GLU A 19 5.578 1.977 -12.732 1.00 0.00 O ATOM 0 H GLU A 19 4.064 -1.307 -8.514 1.00 0.00 H new ATOM 0 HA GLU A 19 1.978 -0.692 -10.550 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.729 -1.667 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.465 -0.973 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.760 1.226 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.111 0.513 -10.288 1.00 0.00 H new ATOM 310 N ILE A 20 1.558 -3.157 -10.737 1.00 0.00 N ATOM 311 CA ILE A 20 1.232 -4.617 -10.694 1.00 0.00 C ATOM 312 C ILE A 20 0.496 -4.987 -11.998 1.00 0.00 C ATOM 313 O ILE A 20 -0.486 -4.359 -12.340 1.00 0.00 O ATOM 314 CB ILE A 20 0.318 -4.900 -9.477 1.00 0.00 C ATOM 315 CG1 ILE A 20 1.173 -4.901 -8.209 1.00 0.00 C ATOM 316 CG2 ILE A 20 -0.364 -6.271 -9.621 1.00 0.00 C ATOM 317 CD1 ILE A 20 0.285 -5.000 -6.966 1.00 0.00 C ATOM 0 H ILE A 20 0.854 -2.575 -11.192 1.00 0.00 H new ATOM 0 HA ILE A 20 2.142 -5.209 -10.600 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.450 -4.128 -9.422 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.870 -5.739 -8.233 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.771 -3.990 -8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.002 -6.452 -8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.969 -6.283 -10.528 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.395 -7.051 -9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.909 -5.000 -6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.394 -4.148 -6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.293 -5.923 -7.004 1.00 0.00 H new ATOM 329 N PRO A 21 0.943 -5.991 -12.729 1.00 0.00 N ATOM 330 CA PRO A 21 0.266 -6.396 -13.995 1.00 0.00 C ATOM 331 C PRO A 21 -1.027 -7.165 -13.713 1.00 0.00 C ATOM 332 O PRO A 21 -2.046 -6.937 -14.334 1.00 0.00 O ATOM 333 CB PRO A 21 1.302 -7.289 -14.688 1.00 0.00 C ATOM 334 CG PRO A 21 2.086 -7.896 -13.571 1.00 0.00 C ATOM 335 CD PRO A 21 2.118 -6.847 -12.451 1.00 0.00 C ATOM 0 HA PRO A 21 -0.033 -5.543 -14.604 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.821 -8.055 -15.296 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.943 -6.710 -15.353 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.621 -8.820 -13.226 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.095 -8.149 -13.896 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.050 -7.311 -11.467 1.00 0.00 H new ATOM 0 HD3 PRO A 21 3.044 -6.272 -12.469 1.00 0.00 H new ATOM 343 N ASP A 22 -0.991 -8.066 -12.772 1.00 0.00 N ATOM 344 CA ASP A 22 -2.216 -8.842 -12.437 1.00 0.00 C ATOM 345 C ASP A 22 -3.373 -7.873 -12.199 1.00 0.00 C ATOM 346 O ASP A 22 -4.525 -8.261 -12.174 1.00 0.00 O ATOM 347 CB ASP A 22 -1.968 -9.662 -11.170 1.00 0.00 C ATOM 348 CG ASP A 22 -0.740 -10.551 -11.368 1.00 0.00 C ATOM 349 OD1 ASP A 22 0.356 -10.015 -11.395 1.00 0.00 O ATOM 350 OD2 ASP A 22 -0.915 -11.751 -11.491 1.00 0.00 O ATOM 0 H ASP A 22 -0.165 -8.299 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.463 -9.513 -13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.816 -8.998 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.841 -10.275 -10.944 1.00 0.00 H new ATOM 355 N ALA A 23 -3.074 -6.610 -12.015 1.00 0.00 N ATOM 356 CA ALA A 23 -4.150 -5.600 -11.770 1.00 0.00 C ATOM 357 C ALA A 23 -3.853 -4.333 -12.589 1.00 0.00 C ATOM 358 O ALA A 23 -4.441 -3.296 -12.369 1.00 0.00 O ATOM 359 CB ALA A 23 -4.183 -5.264 -10.272 1.00 0.00 C ATOM 0 H ALA A 23 -2.126 -6.234 -12.024 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.118 -5.999 -12.073 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.964 -4.528 -10.081 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.390 -6.169 -9.701 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.219 -4.856 -9.969 1.00 0.00 H new ATOM 365 N ASP A 24 -2.941 -4.417 -13.529 1.00 0.00 N ATOM 366 CA ASP A 24 -2.593 -3.228 -14.373 1.00 0.00 C ATOM 367 C ASP A 24 -2.500 -1.976 -13.498 1.00 0.00 C ATOM 368 O ASP A 24 -3.120 -0.967 -13.762 1.00 0.00 O ATOM 369 CB ASP A 24 -3.656 -3.027 -15.461 1.00 0.00 C ATOM 370 CG ASP A 24 -5.010 -2.710 -14.824 1.00 0.00 C ATOM 371 OD1 ASP A 24 -5.266 -1.545 -14.569 1.00 0.00 O ATOM 372 OD2 ASP A 24 -5.769 -3.639 -14.602 1.00 0.00 O ATOM 0 H ASP A 24 -2.419 -5.265 -13.749 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.628 -3.402 -14.848 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.359 -2.215 -16.124 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.735 -3.926 -16.073 1.00 0.00 H new ATOM 377 N ILE A 25 -1.727 -2.049 -12.451 1.00 0.00 N ATOM 378 CA ILE A 25 -1.574 -0.882 -11.529 1.00 0.00 C ATOM 379 C ILE A 25 -0.381 -0.032 -11.949 1.00 0.00 C ATOM 380 O ILE A 25 0.618 -0.524 -12.432 1.00 0.00 O ATOM 381 CB ILE A 25 -1.339 -1.407 -10.116 1.00 0.00 C ATOM 382 CG1 ILE A 25 -2.516 -2.295 -9.694 1.00 0.00 C ATOM 383 CG2 ILE A 25 -1.178 -0.256 -9.127 1.00 0.00 C ATOM 384 CD1 ILE A 25 -3.845 -1.524 -9.781 1.00 0.00 C ATOM 0 H ILE A 25 -1.188 -2.875 -12.190 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.475 -0.270 -11.566 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.419 -1.992 -10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.560 -3.176 -10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.362 -2.649 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.012 -0.656 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.326 0.358 -9.419 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.082 0.354 -9.128 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.664 -2.175 -9.477 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.807 -0.657 -9.121 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.007 -1.193 -10.807 1.00 0.00 H new ATOM 396 N LYS A 26 -0.488 1.248 -11.752 1.00 0.00 N ATOM 397 CA LYS A 26 0.623 2.166 -12.110 1.00 0.00 C ATOM 398 C LYS A 26 0.299 3.543 -11.530 1.00 0.00 C ATOM 399 O LYS A 26 -0.210 4.404 -12.221 1.00 0.00 O ATOM 400 CB LYS A 26 0.746 2.257 -13.632 1.00 0.00 C ATOM 401 CG LYS A 26 2.074 2.920 -14.001 1.00 0.00 C ATOM 402 CD LYS A 26 2.250 2.900 -15.521 1.00 0.00 C ATOM 403 CE LYS A 26 3.539 3.632 -15.895 1.00 0.00 C ATOM 404 NZ LYS A 26 4.712 2.835 -15.439 1.00 0.00 N ATOM 0 H LYS A 26 -1.309 1.703 -11.353 1.00 0.00 H new ATOM 0 HA LYS A 26 1.567 1.799 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.691 1.261 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.085 2.832 -14.040 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.094 3.947 -13.636 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.900 2.395 -13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.286 1.871 -15.880 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.396 3.376 -16.003 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.585 3.782 -16.974 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.556 4.620 -15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.580 3.220 -15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.783 2.884 -14.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.593 1.844 -15.732 1.00 0.00 H new ATOM 418 N GLU A 27 0.542 3.750 -10.260 1.00 0.00 N ATOM 419 CA GLU A 27 0.196 5.064 -9.636 1.00 0.00 C ATOM 420 C GLU A 27 1.264 5.468 -8.598 1.00 0.00 C ATOM 421 O GLU A 27 1.984 4.633 -8.087 1.00 0.00 O ATOM 422 CB GLU A 27 -1.161 4.891 -8.935 1.00 0.00 C ATOM 423 CG GLU A 27 -2.306 5.210 -9.905 1.00 0.00 C ATOM 424 CD GLU A 27 -2.419 6.724 -10.090 1.00 0.00 C ATOM 425 OE1 GLU A 27 -1.680 7.259 -10.899 1.00 0.00 O ATOM 426 OE2 GLU A 27 -3.243 7.322 -9.418 1.00 0.00 O ATOM 0 H GLU A 27 0.964 3.068 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 27 0.153 5.844 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.261 3.870 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.216 5.549 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.126 4.729 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.244 4.810 -9.520 1.00 0.00 H new ATOM 433 N PRO A 28 1.353 6.748 -8.277 1.00 0.00 N ATOM 434 CA PRO A 28 2.332 7.270 -7.274 1.00 0.00 C ATOM 435 C PRO A 28 1.823 7.136 -5.830 1.00 0.00 C ATOM 436 O PRO A 28 0.644 6.971 -5.591 1.00 0.00 O ATOM 437 CB PRO A 28 2.447 8.744 -7.658 1.00 0.00 C ATOM 438 CG PRO A 28 1.076 9.101 -8.124 1.00 0.00 C ATOM 439 CD PRO A 28 0.539 7.852 -8.837 1.00 0.00 C ATOM 0 HA PRO A 28 3.274 6.723 -7.292 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.752 9.355 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 28 3.188 8.896 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.437 9.377 -7.285 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.103 9.956 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.523 7.705 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.656 7.927 -9.918 1.00 0.00 H new ATOM 447 N VAL A 29 2.713 7.222 -4.873 1.00 0.00 N ATOM 448 CA VAL A 29 2.320 7.117 -3.428 1.00 0.00 C ATOM 449 C VAL A 29 2.838 8.355 -2.678 1.00 0.00 C ATOM 450 O VAL A 29 4.030 8.548 -2.537 1.00 0.00 O ATOM 451 CB VAL A 29 2.957 5.855 -2.835 1.00 0.00 C ATOM 452 CG1 VAL A 29 2.469 5.650 -1.401 1.00 0.00 C ATOM 453 CG2 VAL A 29 2.564 4.641 -3.681 1.00 0.00 C ATOM 0 H VAL A 29 3.711 7.363 -5.031 1.00 0.00 H new ATOM 0 HA VAL A 29 1.235 7.061 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 29 4.041 5.969 -2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.926 4.751 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.748 6.512 -0.795 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.385 5.540 -1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.016 3.743 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.479 4.534 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.916 4.780 -4.703 1.00 0.00 H new ATOM 463 N TYR A 30 1.957 9.207 -2.206 1.00 0.00 N ATOM 464 CA TYR A 30 2.421 10.433 -1.483 1.00 0.00 C ATOM 465 C TYR A 30 2.954 10.050 -0.087 1.00 0.00 C ATOM 466 O TYR A 30 2.442 9.144 0.536 1.00 0.00 O ATOM 467 CB TYR A 30 1.251 11.414 -1.312 1.00 0.00 C ATOM 468 CG TYR A 30 0.401 11.441 -2.563 1.00 0.00 C ATOM 469 CD1 TYR A 30 0.994 11.677 -3.808 1.00 0.00 C ATOM 470 CD2 TYR A 30 -0.984 11.240 -2.475 1.00 0.00 C ATOM 471 CE1 TYR A 30 0.205 11.710 -4.964 1.00 0.00 C ATOM 472 CE2 TYR A 30 -1.773 11.273 -3.628 1.00 0.00 C ATOM 473 CZ TYR A 30 -1.179 11.508 -4.874 1.00 0.00 C ATOM 474 OH TYR A 30 -1.954 11.540 -6.015 1.00 0.00 O ATOM 0 H TYR A 30 0.945 9.107 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 30 3.214 10.901 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.642 11.119 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.633 12.413 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.060 11.834 -3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.442 11.059 -1.514 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.663 11.891 -5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.839 11.117 -3.558 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.422 11.238 -6.780 1.00 0.00 H new ATOM 484 N PRO A 31 3.956 10.746 0.417 1.00 0.00 N ATOM 485 CA PRO A 31 4.528 10.469 1.770 1.00 0.00 C ATOM 486 C PRO A 31 3.673 11.077 2.887 1.00 0.00 C ATOM 487 O PRO A 31 3.786 12.245 3.195 1.00 0.00 O ATOM 488 CB PRO A 31 5.895 11.149 1.706 1.00 0.00 C ATOM 489 CG PRO A 31 5.668 12.333 0.827 1.00 0.00 C ATOM 490 CD PRO A 31 4.665 11.871 -0.234 1.00 0.00 C ATOM 0 HA PRO A 31 4.576 9.404 1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.239 11.447 2.696 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.653 10.484 1.292 1.00 0.00 H new ATOM 0 HG2 PRO A 31 5.276 13.175 1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.599 12.665 0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.978 12.671 -0.510 1.00 0.00 H new ATOM 0 HD3 PRO A 31 5.167 11.553 -1.148 1.00 0.00 H new ATOM 498 N GLY A 32 2.817 10.300 3.493 1.00 0.00 N ATOM 499 CA GLY A 32 1.967 10.862 4.581 1.00 0.00 C ATOM 500 C GLY A 32 1.010 9.800 5.121 1.00 0.00 C ATOM 501 O GLY A 32 1.071 8.646 4.748 1.00 0.00 O ATOM 0 H GLY A 32 2.670 9.312 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.599 11.234 5.388 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.399 11.712 4.203 1.00 0.00 H new ATOM 505 N PRO A 33 0.126 10.201 6.001 1.00 0.00 N ATOM 506 CA PRO A 33 -0.873 9.287 6.614 1.00 0.00 C ATOM 507 C PRO A 33 -2.063 9.055 5.683 1.00 0.00 C ATOM 508 O PRO A 33 -2.739 9.980 5.283 1.00 0.00 O ATOM 509 CB PRO A 33 -1.297 10.032 7.883 1.00 0.00 C ATOM 510 CG PRO A 33 -1.165 11.483 7.531 1.00 0.00 C ATOM 511 CD PRO A 33 -0.020 11.580 6.508 1.00 0.00 C ATOM 0 HA PRO A 33 -0.472 8.294 6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.320 9.784 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.661 9.770 8.728 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.095 11.867 7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.946 12.079 8.417 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.261 12.277 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.901 11.934 6.972 1.00 0.00 H new ATOM 519 N ALA A 34 -2.303 7.827 5.329 1.00 0.00 N ATOM 520 CA ALA A 34 -3.435 7.508 4.406 1.00 0.00 C ATOM 521 C ALA A 34 -4.706 8.260 4.826 1.00 0.00 C ATOM 522 O ALA A 34 -5.537 7.739 5.542 1.00 0.00 O ATOM 523 CB ALA A 34 -3.703 5.994 4.429 1.00 0.00 C ATOM 0 H ALA A 34 -1.762 7.020 5.640 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.162 7.821 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.528 5.760 3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.809 5.461 4.105 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.962 5.686 5.442 1.00 0.00 H new ATOM 529 N THR A 35 -4.871 9.473 4.361 1.00 0.00 N ATOM 530 CA THR A 35 -6.097 10.263 4.698 1.00 0.00 C ATOM 531 C THR A 35 -7.024 10.251 3.473 1.00 0.00 C ATOM 532 O THR A 35 -6.566 10.140 2.355 1.00 0.00 O ATOM 533 CB THR A 35 -5.702 11.712 5.022 1.00 0.00 C ATOM 534 OG1 THR A 35 -4.660 12.120 4.146 1.00 0.00 O ATOM 535 CG2 THR A 35 -5.216 11.806 6.470 1.00 0.00 C ATOM 0 H THR A 35 -4.204 9.954 3.758 1.00 0.00 H new ATOM 0 HA THR A 35 -6.600 9.829 5.562 1.00 0.00 H new ATOM 0 HB THR A 35 -6.568 12.361 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 35 -4.297 12.979 4.447 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.937 12.836 6.694 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.014 11.491 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.350 11.158 6.606 1.00 0.00 H new ATOM 543 N PRO A 36 -8.313 10.367 3.670 1.00 0.00 N ATOM 544 CA PRO A 36 -9.288 10.367 2.540 1.00 0.00 C ATOM 545 C PRO A 36 -9.170 11.635 1.686 1.00 0.00 C ATOM 546 O PRO A 36 -9.174 11.582 0.471 1.00 0.00 O ATOM 547 CB PRO A 36 -10.656 10.292 3.240 1.00 0.00 C ATOM 548 CG PRO A 36 -10.425 10.876 4.598 1.00 0.00 C ATOM 549 CD PRO A 36 -8.986 10.514 4.974 1.00 0.00 C ATOM 0 HA PRO A 36 -9.120 9.543 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.412 10.854 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.010 9.263 3.307 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.565 11.957 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.131 10.470 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.522 11.293 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.943 9.592 5.554 1.00 0.00 H new ATOM 557 N GLU A 37 -9.061 12.771 2.314 1.00 0.00 N ATOM 558 CA GLU A 37 -8.943 14.039 1.542 1.00 0.00 C ATOM 559 C GLU A 37 -7.641 14.035 0.740 1.00 0.00 C ATOM 560 O GLU A 37 -7.518 14.709 -0.264 1.00 0.00 O ATOM 561 CB GLU A 37 -8.945 15.227 2.507 1.00 0.00 C ATOM 562 CG GLU A 37 -7.798 15.075 3.508 1.00 0.00 C ATOM 563 CD GLU A 37 -7.863 16.206 4.535 1.00 0.00 C ATOM 564 OE1 GLU A 37 -8.326 17.278 4.178 1.00 0.00 O ATOM 565 OE2 GLU A 37 -7.450 15.983 5.660 1.00 0.00 O ATOM 0 H GLU A 37 -9.048 12.877 3.328 1.00 0.00 H new ATOM 0 HA GLU A 37 -9.787 14.124 0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.837 16.159 1.953 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.897 15.279 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.865 14.110 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.841 15.098 2.987 1.00 0.00 H new ATOM 572 N GLN A 38 -6.662 13.286 1.176 1.00 0.00 N ATOM 573 CA GLN A 38 -5.365 13.246 0.438 1.00 0.00 C ATOM 574 C GLN A 38 -5.417 12.158 -0.634 1.00 0.00 C ATOM 575 O GLN A 38 -5.266 12.429 -1.809 1.00 0.00 O ATOM 576 CB GLN A 38 -4.230 12.940 1.418 1.00 0.00 C ATOM 577 CG GLN A 38 -2.871 13.251 0.759 1.00 0.00 C ATOM 578 CD GLN A 38 -1.789 12.350 1.356 1.00 0.00 C ATOM 579 OE1 GLN A 38 -0.995 12.784 2.166 1.00 0.00 O ATOM 580 NE2 GLN A 38 -1.729 11.103 0.982 1.00 0.00 N ATOM 0 H GLN A 38 -6.704 12.701 2.010 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.189 14.212 -0.035 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.350 13.534 2.324 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.268 11.892 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.934 13.095 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.612 14.298 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.398 10.742 0.301 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.014 10.488 1.370 1.00 0.00 H new ATOM 589 N LEU A 39 -5.628 10.926 -0.245 1.00 0.00 N ATOM 590 CA LEU A 39 -5.689 9.828 -1.252 1.00 0.00 C ATOM 591 C LEU A 39 -6.593 10.250 -2.404 1.00 0.00 C ATOM 592 O LEU A 39 -6.573 9.666 -3.468 1.00 0.00 O ATOM 593 CB LEU A 39 -6.254 8.561 -0.612 1.00 0.00 C ATOM 594 CG LEU A 39 -5.345 8.096 0.538 1.00 0.00 C ATOM 595 CD1 LEU A 39 -6.141 7.200 1.494 1.00 0.00 C ATOM 596 CD2 LEU A 39 -4.151 7.305 -0.015 1.00 0.00 C ATOM 0 H LEU A 39 -5.760 10.635 0.724 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.683 9.627 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.259 8.752 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.338 7.773 -1.360 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.979 8.973 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.495 6.872 2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.982 7.760 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.513 6.330 0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.515 6.982 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.513 6.432 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.576 7.939 -0.690 1.00 0.00 H new ATOM 608 N ASN A 40 -7.375 11.271 -2.206 1.00 0.00 N ATOM 609 CA ASN A 40 -8.262 11.734 -3.299 1.00 0.00 C ATOM 610 C ASN A 40 -7.385 12.092 -4.489 1.00 0.00 C ATOM 611 O ASN A 40 -7.778 11.982 -5.633 1.00 0.00 O ATOM 612 CB ASN A 40 -9.004 12.987 -2.852 1.00 0.00 C ATOM 613 CG ASN A 40 -10.088 12.633 -1.834 1.00 0.00 C ATOM 614 OD1 ASN A 40 -10.676 13.506 -1.228 1.00 0.00 O ATOM 615 ND2 ASN A 40 -10.380 11.384 -1.620 1.00 0.00 N ATOM 0 H ASN A 40 -7.437 11.802 -1.337 1.00 0.00 H new ATOM 0 HA ASN A 40 -8.980 10.956 -3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.302 13.695 -2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.454 13.478 -3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -11.103 11.138 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.886 10.650 -2.129 1.00 0.00 H new ATOM 622 N ARG A 41 -6.191 12.516 -4.211 1.00 0.00 N ATOM 623 CA ARG A 41 -5.251 12.884 -5.302 1.00 0.00 C ATOM 624 C ARG A 41 -4.627 11.610 -5.859 1.00 0.00 C ATOM 625 O ARG A 41 -4.117 11.585 -6.961 1.00 0.00 O ATOM 626 CB ARG A 41 -4.154 13.793 -4.744 1.00 0.00 C ATOM 627 CG ARG A 41 -4.776 15.094 -4.224 1.00 0.00 C ATOM 628 CD ARG A 41 -3.777 15.816 -3.316 1.00 0.00 C ATOM 629 NE ARG A 41 -4.205 17.232 -3.139 1.00 0.00 N ATOM 630 CZ ARG A 41 -3.687 17.958 -2.185 1.00 0.00 C ATOM 631 NH1 ARG A 41 -2.793 17.444 -1.384 1.00 0.00 N ATOM 632 NH2 ARG A 41 -4.063 19.198 -2.032 1.00 0.00 N ATOM 0 H ARG A 41 -5.820 12.625 -3.267 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.784 13.412 -6.093 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.622 13.286 -3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.421 14.014 -5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.052 15.736 -5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.691 14.876 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.722 15.317 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.779 15.778 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.903 17.635 -3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.499 16.475 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.389 18.012 -0.639 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.761 19.600 -2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.659 19.765 -1.287 1.00 0.00 H new ATOM 646 N GLY A 42 -4.670 10.543 -5.104 1.00 0.00 N ATOM 647 CA GLY A 42 -4.079 9.264 -5.600 1.00 0.00 C ATOM 648 C GLY A 42 -3.810 8.310 -4.432 1.00 0.00 C ATOM 649 O GLY A 42 -4.583 8.214 -3.499 1.00 0.00 O ATOM 0 H GLY A 42 -5.085 10.501 -4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.758 8.795 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.150 9.468 -6.132 1.00 0.00 H new ATOM 653 N VAL A 43 -2.716 7.593 -4.488 1.00 0.00 N ATOM 654 CA VAL A 43 -2.372 6.624 -3.401 1.00 0.00 C ATOM 655 C VAL A 43 -1.367 7.273 -2.439 1.00 0.00 C ATOM 656 O VAL A 43 -0.709 8.238 -2.772 1.00 0.00 O ATOM 657 CB VAL A 43 -1.740 5.374 -4.034 1.00 0.00 C ATOM 658 CG1 VAL A 43 -1.774 4.202 -3.053 1.00 0.00 C ATOM 659 CG2 VAL A 43 -2.512 4.994 -5.298 1.00 0.00 C ATOM 0 H VAL A 43 -2.038 7.638 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.271 6.347 -2.851 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.703 5.597 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.323 3.325 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.216 4.464 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.807 3.980 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.063 4.108 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.550 4.784 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.474 5.819 -6.009 1.00 0.00 H new ATOM 669 N SER A 44 -1.236 6.739 -1.253 1.00 0.00 N ATOM 670 CA SER A 44 -0.267 7.308 -0.274 1.00 0.00 C ATOM 671 C SER A 44 0.073 6.243 0.769 1.00 0.00 C ATOM 672 O SER A 44 -0.681 5.317 0.990 1.00 0.00 O ATOM 673 CB SER A 44 -0.881 8.520 0.420 1.00 0.00 C ATOM 674 OG SER A 44 -1.701 8.082 1.496 1.00 0.00 O ATOM 0 H SER A 44 -1.761 5.930 -0.920 1.00 0.00 H new ATOM 0 HA SER A 44 0.638 7.617 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.095 9.177 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.472 9.099 -0.290 1.00 0.00 H new ATOM 0 HG SER A 44 -1.364 8.455 2.337 1.00 0.00 H new ATOM 680 N PHE A 45 1.201 6.361 1.416 1.00 0.00 N ATOM 681 CA PHE A 45 1.572 5.346 2.441 1.00 0.00 C ATOM 682 C PHE A 45 0.461 5.254 3.487 1.00 0.00 C ATOM 683 O PHE A 45 -0.464 6.043 3.493 1.00 0.00 O ATOM 684 CB PHE A 45 2.878 5.750 3.121 1.00 0.00 C ATOM 685 CG PHE A 45 4.032 5.508 2.182 1.00 0.00 C ATOM 686 CD1 PHE A 45 4.396 6.491 1.262 1.00 0.00 C ATOM 687 CD2 PHE A 45 4.744 4.308 2.238 1.00 0.00 C ATOM 688 CE1 PHE A 45 5.473 6.281 0.396 1.00 0.00 C ATOM 689 CE2 PHE A 45 5.825 4.092 1.374 1.00 0.00 C ATOM 690 CZ PHE A 45 6.190 5.081 0.453 1.00 0.00 C ATOM 0 H PHE A 45 1.878 7.112 1.280 1.00 0.00 H new ATOM 0 HA PHE A 45 1.704 4.378 1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.842 6.802 3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.015 5.176 4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.844 7.418 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.461 3.545 2.948 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.751 7.044 -0.316 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.376 3.164 1.418 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.024 4.918 -0.213 1.00 0.00 H new ATOM 700 N ALA A 46 0.540 4.297 4.375 1.00 0.00 N ATOM 701 CA ALA A 46 -0.514 4.153 5.424 1.00 0.00 C ATOM 702 C ALA A 46 -0.069 4.860 6.705 1.00 0.00 C ATOM 703 O ALA A 46 -0.792 4.906 7.681 1.00 0.00 O ATOM 704 CB ALA A 46 -0.748 2.667 5.711 1.00 0.00 C ATOM 0 H ALA A 46 1.290 3.608 4.419 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.440 4.605 5.069 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.517 2.561 6.476 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.073 2.167 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.179 2.214 6.063 1.00 0.00 H new ATOM 710 N GLU A 47 1.116 5.411 6.718 1.00 0.00 N ATOM 711 CA GLU A 47 1.596 6.109 7.950 1.00 0.00 C ATOM 712 C GLU A 47 2.630 7.182 7.594 1.00 0.00 C ATOM 713 O GLU A 47 3.468 6.999 6.739 1.00 0.00 O ATOM 714 CB GLU A 47 2.226 5.086 8.893 1.00 0.00 C ATOM 715 CG GLU A 47 3.460 4.469 8.230 1.00 0.00 C ATOM 716 CD GLU A 47 3.870 3.205 8.989 1.00 0.00 C ATOM 717 OE1 GLU A 47 4.322 3.335 10.115 1.00 0.00 O ATOM 718 OE2 GLU A 47 3.724 2.130 8.431 1.00 0.00 O ATOM 0 H GLU A 47 1.770 5.409 5.935 1.00 0.00 H new ATOM 0 HA GLU A 47 0.748 6.592 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.506 5.565 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.503 4.307 9.136 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.244 4.227 7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.281 5.186 8.227 1.00 0.00 H new ATOM 725 N GLU A 48 2.564 8.304 8.253 1.00 0.00 N ATOM 726 CA GLU A 48 3.522 9.415 7.980 1.00 0.00 C ATOM 727 C GLU A 48 4.958 8.977 8.297 1.00 0.00 C ATOM 728 O GLU A 48 5.909 9.540 7.793 1.00 0.00 O ATOM 729 CB GLU A 48 3.152 10.625 8.845 1.00 0.00 C ATOM 730 CG GLU A 48 3.380 10.299 10.330 1.00 0.00 C ATOM 731 CD GLU A 48 4.850 10.519 10.710 1.00 0.00 C ATOM 732 OE1 GLU A 48 5.607 10.968 9.865 1.00 0.00 O ATOM 733 OE2 GLU A 48 5.195 10.233 11.845 1.00 0.00 O ATOM 0 H GLU A 48 1.877 8.503 8.980 1.00 0.00 H new ATOM 0 HA GLU A 48 3.464 9.681 6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.754 11.486 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.109 10.896 8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.740 10.928 10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.098 9.265 10.529 1.00 0.00 H new ATOM 740 N ASN A 49 5.127 7.989 9.134 1.00 0.00 N ATOM 741 CA ASN A 49 6.508 7.535 9.487 1.00 0.00 C ATOM 742 C ASN A 49 6.984 6.506 8.462 1.00 0.00 C ATOM 743 O ASN A 49 7.879 5.725 8.718 1.00 0.00 O ATOM 744 CB ASN A 49 6.492 6.895 10.876 1.00 0.00 C ATOM 745 CG ASN A 49 7.921 6.538 11.289 1.00 0.00 C ATOM 746 OD1 ASN A 49 8.858 7.223 10.933 1.00 0.00 O ATOM 747 ND2 ASN A 49 8.127 5.485 12.032 1.00 0.00 N ATOM 0 H ASN A 49 4.372 7.476 9.589 1.00 0.00 H new ATOM 0 HA ASN A 49 7.183 8.391 9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.054 7.582 11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.870 6.000 10.869 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.075 5.237 12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.340 4.910 12.331 1.00 0.00 H new ATOM 754 N GLU A 50 6.387 6.499 7.305 1.00 0.00 N ATOM 755 CA GLU A 50 6.787 5.529 6.256 1.00 0.00 C ATOM 756 C GLU A 50 8.237 5.742 5.835 1.00 0.00 C ATOM 757 O GLU A 50 8.739 6.846 5.777 1.00 0.00 O ATOM 758 CB GLU A 50 5.867 5.701 5.045 1.00 0.00 C ATOM 759 CG GLU A 50 6.186 7.011 4.302 1.00 0.00 C ATOM 760 CD GLU A 50 6.194 8.186 5.282 1.00 0.00 C ATOM 761 OE1 GLU A 50 5.123 8.576 5.713 1.00 0.00 O ATOM 762 OE2 GLU A 50 7.270 8.676 5.581 1.00 0.00 O ATOM 0 H GLU A 50 5.631 7.131 7.041 1.00 0.00 H new ATOM 0 HA GLU A 50 6.698 4.520 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.986 4.855 4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.827 5.705 5.370 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.155 6.932 3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.446 7.184 3.521 1.00 0.00 H new ATOM 769 N SER A 51 8.893 4.670 5.518 1.00 0.00 N ATOM 770 CA SER A 51 10.300 4.733 5.064 1.00 0.00 C ATOM 771 C SER A 51 10.568 3.490 4.215 1.00 0.00 C ATOM 772 O SER A 51 10.182 2.397 4.580 1.00 0.00 O ATOM 773 CB SER A 51 11.238 4.753 6.276 1.00 0.00 C ATOM 774 OG SER A 51 10.707 5.627 7.264 1.00 0.00 O ATOM 0 H SER A 51 8.502 3.729 5.556 1.00 0.00 H new ATOM 0 HA SER A 51 10.476 5.638 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 51 11.347 3.748 6.683 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.232 5.085 5.976 1.00 0.00 H new ATOM 0 HG SER A 51 11.303 5.642 8.042 1.00 0.00 H new ATOM 780 N LEU A 52 11.230 3.624 3.101 1.00 0.00 N ATOM 781 CA LEU A 52 11.508 2.418 2.280 1.00 0.00 C ATOM 782 C LEU A 52 12.348 1.476 3.141 1.00 0.00 C ATOM 783 O LEU A 52 12.651 0.363 2.762 1.00 0.00 O ATOM 784 CB LEU A 52 12.264 2.790 0.976 1.00 0.00 C ATOM 785 CG LEU A 52 12.881 4.202 1.079 1.00 0.00 C ATOM 786 CD1 LEU A 52 14.091 4.310 0.145 1.00 0.00 C ATOM 787 CD2 LEU A 52 11.844 5.257 0.664 1.00 0.00 C ATOM 0 H LEU A 52 11.586 4.504 2.728 1.00 0.00 H new ATOM 0 HA LEU A 52 10.576 1.941 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.050 2.059 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 52 11.578 2.749 0.130 1.00 0.00 H new ATOM 0 HG LEU A 52 13.191 4.373 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 52 14.522 5.308 0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 52 14.838 3.569 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.775 4.130 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.286 6.251 0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.532 5.075 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.978 5.194 1.323 1.00 0.00 H new ATOM 799 N ASP A 53 12.720 1.930 4.310 1.00 0.00 N ATOM 800 CA ASP A 53 13.536 1.093 5.224 1.00 0.00 C ATOM 801 C ASP A 53 12.617 0.341 6.194 1.00 0.00 C ATOM 802 O ASP A 53 13.020 -0.626 6.809 1.00 0.00 O ATOM 803 CB ASP A 53 14.489 1.989 6.016 1.00 0.00 C ATOM 804 CG ASP A 53 15.547 2.568 5.075 1.00 0.00 C ATOM 805 OD1 ASP A 53 15.780 1.968 4.038 1.00 0.00 O ATOM 806 OD2 ASP A 53 16.104 3.601 5.406 1.00 0.00 O ATOM 0 H ASP A 53 12.488 2.856 4.669 1.00 0.00 H new ATOM 0 HA ASP A 53 14.110 0.373 4.641 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.933 2.795 6.495 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.968 1.416 6.810 1.00 0.00 H new ATOM 811 N ASP A 54 11.385 0.769 6.347 1.00 0.00 N ATOM 812 CA ASP A 54 10.480 0.052 7.290 1.00 0.00 C ATOM 813 C ASP A 54 10.350 -1.411 6.853 1.00 0.00 C ATOM 814 O ASP A 54 9.746 -1.716 5.845 1.00 0.00 O ATOM 815 CB ASP A 54 9.101 0.715 7.283 1.00 0.00 C ATOM 816 CG ASP A 54 8.293 0.226 8.488 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.719 -0.732 9.111 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.264 0.819 8.767 1.00 0.00 O ATOM 0 H ASP A 54 10.976 1.571 5.867 1.00 0.00 H new ATOM 0 HA ASP A 54 10.894 0.096 8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.207 1.799 7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.576 0.476 6.358 1.00 0.00 H new ATOM 823 N GLN A 55 10.915 -2.315 7.609 1.00 0.00 N ATOM 824 CA GLN A 55 10.833 -3.762 7.246 1.00 0.00 C ATOM 825 C GLN A 55 9.387 -4.123 6.893 1.00 0.00 C ATOM 826 O GLN A 55 9.112 -5.173 6.344 1.00 0.00 O ATOM 827 CB GLN A 55 11.303 -4.608 8.435 1.00 0.00 C ATOM 828 CG GLN A 55 11.652 -6.022 7.961 1.00 0.00 C ATOM 829 CD GLN A 55 11.799 -6.944 9.172 1.00 0.00 C ATOM 830 OE1 GLN A 55 12.886 -7.122 9.686 1.00 0.00 O ATOM 831 NE2 GLN A 55 10.746 -7.545 9.653 1.00 0.00 N ATOM 0 H GLN A 55 11.432 -2.114 8.465 1.00 0.00 H new ATOM 0 HA GLN A 55 11.470 -3.960 6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 55 12.173 -4.146 8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 55 10.521 -4.652 9.193 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.873 -6.397 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.579 -6.006 7.388 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.833 -7.397 9.223 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.835 -8.163 10.459 1.00 0.00 H new ATOM 840 N ASN A 56 8.459 -3.258 7.202 1.00 0.00 N ATOM 841 CA ASN A 56 7.025 -3.537 6.887 1.00 0.00 C ATOM 842 C ASN A 56 6.361 -2.250 6.402 1.00 0.00 C ATOM 843 O ASN A 56 6.066 -1.361 7.177 1.00 0.00 O ATOM 844 CB ASN A 56 6.312 -4.031 8.147 1.00 0.00 C ATOM 845 CG ASN A 56 4.948 -4.612 7.766 1.00 0.00 C ATOM 846 OD1 ASN A 56 4.391 -4.264 6.744 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.383 -5.489 8.550 1.00 0.00 N ATOM 0 H ASN A 56 8.632 -2.364 7.662 1.00 0.00 H new ATOM 0 HA ASN A 56 6.962 -4.301 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.916 -4.789 8.646 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.185 -3.209 8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.474 -5.882 8.305 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.850 -5.782 9.408 1.00 0.00 H new ATOM 854 N ILE A 57 6.121 -2.142 5.122 1.00 0.00 N ATOM 855 CA ILE A 57 5.472 -0.911 4.581 1.00 0.00 C ATOM 856 C ILE A 57 3.967 -1.155 4.478 1.00 0.00 C ATOM 857 O ILE A 57 3.508 -2.279 4.436 1.00 0.00 O ATOM 858 CB ILE A 57 6.031 -0.592 3.180 1.00 0.00 C ATOM 859 CG1 ILE A 57 7.511 -0.138 3.274 1.00 0.00 C ATOM 860 CG2 ILE A 57 5.191 0.524 2.542 1.00 0.00 C ATOM 861 CD1 ILE A 57 8.451 -1.347 3.169 1.00 0.00 C ATOM 0 H ILE A 57 6.346 -2.854 4.427 1.00 0.00 H new ATOM 0 HA ILE A 57 5.675 -0.071 5.245 1.00 0.00 H new ATOM 0 HB ILE A 57 5.982 -1.492 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 57 7.731 0.572 2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.679 0.380 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.583 0.753 1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.155 0.196 2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.238 1.417 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.486 -1.010 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 57 8.242 -2.042 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.294 -1.848 2.214 1.00 0.00 H new ATOM 873 N SER A 58 3.200 -0.104 4.433 1.00 0.00 N ATOM 874 CA SER A 58 1.722 -0.248 4.327 1.00 0.00 C ATOM 875 C SER A 58 1.185 0.900 3.475 1.00 0.00 C ATOM 876 O SER A 58 1.414 2.056 3.770 1.00 0.00 O ATOM 877 CB SER A 58 1.111 -0.191 5.728 1.00 0.00 C ATOM 878 OG SER A 58 1.796 0.788 6.499 1.00 0.00 O ATOM 0 H SER A 58 3.537 0.858 4.465 1.00 0.00 H new ATOM 0 HA SER A 58 1.462 -1.201 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.051 0.055 5.665 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.184 -1.166 6.209 1.00 0.00 H new ATOM 0 HG SER A 58 1.406 0.829 7.397 1.00 0.00 H new ATOM 884 N ILE A 59 0.491 0.590 2.406 1.00 0.00 N ATOM 885 CA ILE A 59 -0.047 1.662 1.507 1.00 0.00 C ATOM 886 C ILE A 59 -1.569 1.575 1.427 1.00 0.00 C ATOM 887 O ILE A 59 -2.166 0.557 1.716 1.00 0.00 O ATOM 888 CB ILE A 59 0.541 1.478 0.106 1.00 0.00 C ATOM 889 CG1 ILE A 59 2.066 1.571 0.179 1.00 0.00 C ATOM 890 CG2 ILE A 59 0.010 2.569 -0.827 1.00 0.00 C ATOM 891 CD1 ILE A 59 2.669 1.097 -1.143 1.00 0.00 C ATOM 0 H ILE A 59 0.273 -0.363 2.116 1.00 0.00 H new ATOM 0 HA ILE A 59 0.230 2.637 1.909 1.00 0.00 H new ATOM 0 HB ILE A 59 0.250 0.501 -0.280 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.369 2.598 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 59 2.439 0.960 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.432 2.433 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.077 2.504 -0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.296 3.548 -0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.756 1.163 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.377 0.063 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.305 1.726 -1.955 1.00 0.00 H new ATOM 903 N ALA A 60 -2.193 2.649 1.025 1.00 0.00 N ATOM 904 CA ALA A 60 -3.683 2.680 0.899 1.00 0.00 C ATOM 905 C ALA A 60 -4.043 3.328 -0.438 1.00 0.00 C ATOM 906 O ALA A 60 -3.488 4.343 -0.806 1.00 0.00 O ATOM 907 CB ALA A 60 -4.273 3.503 2.047 1.00 0.00 C ATOM 0 H ALA A 60 -1.728 3.521 0.774 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.087 1.668 0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.359 3.527 1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.998 3.049 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.883 4.520 2.004 1.00 0.00 H new ATOM 913 N GLY A 61 -4.959 2.746 -1.176 1.00 0.00 N ATOM 914 CA GLY A 61 -5.339 3.333 -2.504 1.00 0.00 C ATOM 915 C GLY A 61 -6.852 3.259 -2.703 1.00 0.00 C ATOM 916 O GLY A 61 -7.522 2.399 -2.166 1.00 0.00 O ATOM 0 H GLY A 61 -5.458 1.894 -0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.008 4.370 -2.559 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.833 2.795 -3.305 1.00 0.00 H new ATOM 920 N HIS A 62 -7.392 4.160 -3.480 1.00 0.00 N ATOM 921 CA HIS A 62 -8.864 4.153 -3.728 1.00 0.00 C ATOM 922 C HIS A 62 -9.221 2.960 -4.629 1.00 0.00 C ATOM 923 O HIS A 62 -8.359 2.235 -5.084 1.00 0.00 O ATOM 924 CB HIS A 62 -9.277 5.473 -4.412 1.00 0.00 C ATOM 925 CG HIS A 62 -9.632 6.510 -3.373 1.00 0.00 C ATOM 926 ND1 HIS A 62 -10.890 6.572 -2.794 1.00 0.00 N ATOM 927 CD2 HIS A 62 -8.909 7.529 -2.806 1.00 0.00 C ATOM 928 CE1 HIS A 62 -10.885 7.597 -1.923 1.00 0.00 C ATOM 929 NE2 HIS A 62 -9.702 8.214 -1.890 1.00 0.00 N ATOM 0 H HIS A 62 -6.877 4.902 -3.954 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.397 4.061 -2.782 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -8.462 5.838 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.129 5.299 -5.069 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -11.676 5.953 -2.992 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -7.880 7.764 -3.036 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.735 7.886 -1.323 1.00 0.00 H new ATOM 937 N THR A 63 -10.486 2.756 -4.894 1.00 0.00 N ATOM 938 CA THR A 63 -10.895 1.618 -5.764 1.00 0.00 C ATOM 939 C THR A 63 -12.338 1.825 -6.234 1.00 0.00 C ATOM 940 O THR A 63 -13.277 1.404 -5.588 1.00 0.00 O ATOM 941 CB THR A 63 -10.794 0.299 -4.984 1.00 0.00 C ATOM 942 OG1 THR A 63 -11.675 -0.657 -5.558 1.00 0.00 O ATOM 943 CG2 THR A 63 -11.185 0.523 -3.523 1.00 0.00 C ATOM 0 H THR A 63 -11.253 3.330 -4.544 1.00 0.00 H new ATOM 0 HA THR A 63 -10.232 1.574 -6.628 1.00 0.00 H new ATOM 0 HB THR A 63 -9.767 -0.064 -5.032 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.603 -0.379 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.110 -0.418 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.514 1.256 -3.075 1.00 0.00 H new ATOM 0 HG23 THR A 63 -12.210 0.891 -3.473 1.00 0.00 H new ATOM 951 N PHE A 64 -12.522 2.472 -7.357 1.00 0.00 N ATOM 952 CA PHE A 64 -13.904 2.708 -7.874 1.00 0.00 C ATOM 953 C PHE A 64 -14.317 1.534 -8.765 1.00 0.00 C ATOM 954 O PHE A 64 -13.781 1.333 -9.834 1.00 0.00 O ATOM 955 CB PHE A 64 -13.924 4.006 -8.688 1.00 0.00 C ATOM 956 CG PHE A 64 -13.913 5.192 -7.750 1.00 0.00 C ATOM 957 CD1 PHE A 64 -12.730 5.555 -7.097 1.00 0.00 C ATOM 958 CD2 PHE A 64 -15.087 5.925 -7.532 1.00 0.00 C ATOM 959 CE1 PHE A 64 -12.719 6.652 -6.226 1.00 0.00 C ATOM 960 CE2 PHE A 64 -15.076 7.022 -6.661 1.00 0.00 C ATOM 961 CZ PHE A 64 -13.892 7.384 -6.009 1.00 0.00 C ATOM 0 H PHE A 64 -11.773 2.848 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 64 -14.601 2.793 -7.040 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -13.059 4.045 -9.350 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -14.811 4.037 -9.320 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -11.825 4.989 -7.265 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -16.000 5.644 -8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.806 6.933 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -15.980 7.588 -6.493 1.00 0.00 H new ATOM 0 HZ PHE A 64 -13.883 8.230 -5.337 1.00 0.00 H new ATOM 971 N ILE A 65 -15.262 0.751 -8.322 1.00 0.00 N ATOM 972 CA ILE A 65 -15.709 -0.425 -9.125 1.00 0.00 C ATOM 973 C ILE A 65 -16.253 0.023 -10.476 1.00 0.00 C ATOM 974 O ILE A 65 -16.206 -0.706 -11.448 1.00 0.00 O ATOM 975 CB ILE A 65 -16.823 -1.159 -8.369 1.00 0.00 C ATOM 976 CG1 ILE A 65 -16.459 -1.268 -6.889 1.00 0.00 C ATOM 977 CG2 ILE A 65 -17.004 -2.558 -8.958 1.00 0.00 C ATOM 978 CD1 ILE A 65 -15.034 -1.807 -6.747 1.00 0.00 C ATOM 0 H ILE A 65 -15.747 0.875 -7.433 1.00 0.00 H new ATOM 0 HA ILE A 65 -14.854 -1.083 -9.282 1.00 0.00 H new ATOM 0 HB ILE A 65 -17.754 -0.601 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -16.538 -0.291 -6.412 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -17.161 -1.929 -6.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -17.796 -3.079 -8.420 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -17.273 -2.477 -10.011 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -16.073 -3.116 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -14.778 -1.883 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -14.970 -2.793 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -14.338 -1.129 -7.241 1.00 0.00 H new ATOM 990 N ASP A 66 -16.795 1.202 -10.543 1.00 0.00 N ATOM 991 CA ASP A 66 -17.372 1.682 -11.822 1.00 0.00 C ATOM 992 C ASP A 66 -16.287 2.334 -12.668 1.00 0.00 C ATOM 993 O ASP A 66 -16.561 3.038 -13.619 1.00 0.00 O ATOM 994 CB ASP A 66 -18.486 2.687 -11.522 1.00 0.00 C ATOM 995 CG ASP A 66 -17.884 3.975 -10.953 1.00 0.00 C ATOM 996 OD1 ASP A 66 -17.340 3.919 -9.862 1.00 0.00 O ATOM 997 OD2 ASP A 66 -17.977 4.993 -11.618 1.00 0.00 O ATOM 0 H ASP A 66 -16.863 1.856 -9.763 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.785 0.840 -12.378 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -19.045 2.907 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -19.192 2.259 -10.810 1.00 0.00 H new ATOM 1002 N ARG A 67 -15.053 2.095 -12.334 1.00 0.00 N ATOM 1003 CA ARG A 67 -13.937 2.692 -13.122 1.00 0.00 C ATOM 1004 C ARG A 67 -12.700 1.790 -13.027 1.00 0.00 C ATOM 1005 O ARG A 67 -11.776 2.080 -12.294 1.00 0.00 O ATOM 1006 CB ARG A 67 -13.607 4.083 -12.570 1.00 0.00 C ATOM 1007 CG ARG A 67 -12.774 4.864 -13.593 1.00 0.00 C ATOM 1008 CD ARG A 67 -12.634 6.319 -13.137 1.00 0.00 C ATOM 1009 NE ARG A 67 -12.041 7.130 -14.239 1.00 0.00 N ATOM 1010 CZ ARG A 67 -12.110 8.433 -14.202 1.00 0.00 C ATOM 1011 NH1 ARG A 67 -12.701 9.029 -13.202 1.00 0.00 N ATOM 1012 NH2 ARG A 67 -11.586 9.141 -15.165 1.00 0.00 N ATOM 0 H ARG A 67 -14.766 1.511 -11.548 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.237 2.781 -14.166 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.527 4.624 -12.348 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.057 3.991 -11.633 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.789 4.409 -13.699 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.251 4.823 -14.572 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -13.609 6.720 -12.860 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.003 6.374 -12.250 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.581 6.666 -15.022 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.110 8.476 -12.448 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.754 10.047 -13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -11.123 8.676 -15.946 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.640 10.159 -15.137 1.00 0.00 H new ATOM 1026 N PRO A 68 -12.687 0.707 -13.764 1.00 0.00 N ATOM 1027 CA PRO A 68 -11.543 -0.266 -13.773 1.00 0.00 C ATOM 1028 C PRO A 68 -10.205 0.385 -14.170 1.00 0.00 C ATOM 1029 O PRO A 68 -9.346 -0.250 -14.749 1.00 0.00 O ATOM 1030 CB PRO A 68 -11.967 -1.322 -14.813 1.00 0.00 C ATOM 1031 CG PRO A 68 -13.455 -1.196 -14.911 1.00 0.00 C ATOM 1032 CD PRO A 68 -13.765 0.278 -14.668 1.00 0.00 C ATOM 0 HA PRO A 68 -11.363 -0.679 -12.780 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.491 -1.140 -15.777 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -11.676 -2.324 -14.499 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.810 -1.514 -15.891 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.950 -1.827 -14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.761 0.848 -15.597 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.747 0.413 -14.215 1.00 0.00 H new ATOM 1040 N ASN A 69 -10.021 1.638 -13.858 1.00 0.00 N ATOM 1041 CA ASN A 69 -8.746 2.329 -14.207 1.00 0.00 C ATOM 1042 C ASN A 69 -8.488 3.427 -13.176 1.00 0.00 C ATOM 1043 O ASN A 69 -8.473 4.599 -13.495 1.00 0.00 O ATOM 1044 CB ASN A 69 -8.864 2.949 -15.600 1.00 0.00 C ATOM 1045 CG ASN A 69 -9.487 1.934 -16.560 1.00 0.00 C ATOM 1046 OD1 ASN A 69 -8.857 0.963 -16.928 1.00 0.00 O ATOM 1047 ND2 ASN A 69 -10.708 2.120 -16.983 1.00 0.00 N ATOM 0 H ASN A 69 -10.705 2.218 -13.372 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.922 1.616 -14.205 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.477 3.849 -15.558 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.880 3.250 -15.960 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -11.134 1.450 -17.623 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.236 2.936 -16.673 1.00 0.00 H new ATOM 1054 N TYR A 70 -8.298 3.053 -11.936 1.00 0.00 N ATOM 1055 CA TYR A 70 -8.055 4.068 -10.862 1.00 0.00 C ATOM 1056 C TYR A 70 -6.939 3.569 -9.937 1.00 0.00 C ATOM 1057 O TYR A 70 -6.079 2.807 -10.335 1.00 0.00 O ATOM 1058 CB TYR A 70 -9.360 4.273 -10.065 1.00 0.00 C ATOM 1059 CG TYR A 70 -9.457 5.697 -9.551 1.00 0.00 C ATOM 1060 CD1 TYR A 70 -9.500 6.766 -10.456 1.00 0.00 C ATOM 1061 CD2 TYR A 70 -9.513 5.948 -8.172 1.00 0.00 C ATOM 1062 CE1 TYR A 70 -9.596 8.080 -9.984 1.00 0.00 C ATOM 1063 CE2 TYR A 70 -9.609 7.261 -7.701 1.00 0.00 C ATOM 1064 CZ TYR A 70 -9.650 8.328 -8.607 1.00 0.00 C ATOM 1065 OH TYR A 70 -9.746 9.623 -8.142 1.00 0.00 O ATOM 0 H TYR A 70 -8.300 2.084 -11.618 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.749 5.018 -11.301 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.218 4.051 -10.700 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -9.394 3.576 -9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.459 6.576 -11.518 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.482 5.125 -7.473 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.628 8.903 -10.682 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.652 7.452 -6.639 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.774 9.618 -7.162 1.00 0.00 H new ATOM 1075 N GLN A 71 -6.939 4.009 -8.710 1.00 0.00 N ATOM 1076 CA GLN A 71 -5.873 3.583 -7.759 1.00 0.00 C ATOM 1077 C GLN A 71 -5.856 2.054 -7.609 1.00 0.00 C ATOM 1078 O GLN A 71 -5.284 1.350 -8.417 1.00 0.00 O ATOM 1079 CB GLN A 71 -6.125 4.235 -6.386 1.00 0.00 C ATOM 1080 CG GLN A 71 -5.648 5.697 -6.385 1.00 0.00 C ATOM 1081 CD GLN A 71 -6.661 6.579 -7.120 1.00 0.00 C ATOM 1082 OE1 GLN A 71 -6.919 6.384 -8.291 1.00 0.00 O ATOM 1083 NE2 GLN A 71 -7.244 7.553 -6.477 1.00 0.00 N ATOM 0 H GLN A 71 -7.634 4.648 -8.323 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.907 3.902 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.188 4.193 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -5.602 3.676 -5.610 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.525 6.047 -5.360 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.673 5.770 -6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.027 7.717 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.916 8.151 -6.957 1.00 0.00 H new ATOM 1092 N PHE A 72 -6.442 1.538 -6.554 1.00 0.00 N ATOM 1093 CA PHE A 72 -6.419 0.056 -6.322 1.00 0.00 C ATOM 1094 C PHE A 72 -7.692 -0.593 -6.886 1.00 0.00 C ATOM 1095 O PHE A 72 -8.024 -1.709 -6.542 1.00 0.00 O ATOM 1096 CB PHE A 72 -6.369 -0.220 -4.806 1.00 0.00 C ATOM 1097 CG PHE A 72 -4.966 -0.074 -4.244 1.00 0.00 C ATOM 1098 CD1 PHE A 72 -4.036 0.819 -4.806 1.00 0.00 C ATOM 1099 CD2 PHE A 72 -4.607 -0.832 -3.123 1.00 0.00 C ATOM 1100 CE1 PHE A 72 -2.758 0.943 -4.249 1.00 0.00 C ATOM 1101 CE2 PHE A 72 -3.329 -0.700 -2.565 1.00 0.00 C ATOM 1102 CZ PHE A 72 -2.405 0.185 -3.128 1.00 0.00 C ATOM 0 H PHE A 72 -6.935 2.078 -5.843 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.543 -0.361 -6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.039 0.468 -4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.735 -1.228 -4.609 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.308 1.410 -5.668 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.317 -1.520 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.043 1.625 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.057 -1.283 -1.698 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.419 0.283 -2.698 1.00 0.00 H new ATOM 1112 N THR A 73 -8.414 0.085 -7.733 1.00 0.00 N ATOM 1113 CA THR A 73 -9.660 -0.527 -8.282 1.00 0.00 C ATOM 1114 C THR A 73 -9.366 -1.940 -8.791 1.00 0.00 C ATOM 1115 O THR A 73 -10.248 -2.772 -8.866 1.00 0.00 O ATOM 1116 CB THR A 73 -10.197 0.325 -9.435 1.00 0.00 C ATOM 1117 OG1 THR A 73 -10.551 1.608 -8.944 1.00 0.00 O ATOM 1118 CG2 THR A 73 -11.435 -0.343 -10.033 1.00 0.00 C ATOM 0 H THR A 73 -8.201 1.025 -8.067 1.00 0.00 H new ATOM 0 HA THR A 73 -10.406 -0.575 -7.489 1.00 0.00 H new ATOM 0 HB THR A 73 -9.429 0.422 -10.202 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.038 2.100 -9.637 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.816 0.265 -10.854 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.170 -1.332 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.203 -0.439 -9.266 1.00 0.00 H new ATOM 1126 N ASN A 74 -8.136 -2.213 -9.149 1.00 0.00 N ATOM 1127 CA ASN A 74 -7.773 -3.571 -9.669 1.00 0.00 C ATOM 1128 C ASN A 74 -6.799 -4.255 -8.710 1.00 0.00 C ATOM 1129 O ASN A 74 -6.761 -5.464 -8.614 1.00 0.00 O ATOM 1130 CB ASN A 74 -7.105 -3.417 -11.036 1.00 0.00 C ATOM 1131 CG ASN A 74 -8.084 -2.762 -12.012 1.00 0.00 C ATOM 1132 OD1 ASN A 74 -8.978 -2.047 -11.606 1.00 0.00 O ATOM 1133 ND2 ASN A 74 -7.951 -2.976 -13.292 1.00 0.00 N ATOM 0 H ASN A 74 -7.362 -1.550 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.675 -4.177 -9.756 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.204 -2.810 -10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.796 -4.392 -11.413 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.598 -2.543 -13.951 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.200 -3.576 -13.633 1.00 0.00 H new ATOM 1140 N LEU A 75 -6.004 -3.498 -8.003 1.00 0.00 N ATOM 1141 CA LEU A 75 -5.029 -4.122 -7.064 1.00 0.00 C ATOM 1142 C LEU A 75 -5.759 -5.121 -6.171 1.00 0.00 C ATOM 1143 O LEU A 75 -5.162 -6.018 -5.608 1.00 0.00 O ATOM 1144 CB LEU A 75 -4.375 -3.031 -6.194 1.00 0.00 C ATOM 1145 CG LEU A 75 -3.134 -3.593 -5.439 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -2.037 -2.522 -5.359 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -3.520 -4.028 -4.011 1.00 0.00 C ATOM 0 H LEU A 75 -5.987 -2.479 -8.035 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.255 -4.638 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.075 -2.191 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.101 -2.649 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.763 -4.458 -5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.174 -2.924 -4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.741 -2.229 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.417 -1.651 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.640 -4.418 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.909 -3.170 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.284 -4.804 -4.061 1.00 0.00 H new ATOM 1159 N LYS A 76 -7.047 -4.985 -6.044 1.00 0.00 N ATOM 1160 CA LYS A 76 -7.807 -5.936 -5.194 1.00 0.00 C ATOM 1161 C LYS A 76 -7.960 -7.244 -5.966 1.00 0.00 C ATOM 1162 O LYS A 76 -8.248 -8.286 -5.411 1.00 0.00 O ATOM 1163 CB LYS A 76 -9.191 -5.360 -4.891 1.00 0.00 C ATOM 1164 CG LYS A 76 -9.812 -4.819 -6.184 1.00 0.00 C ATOM 1165 CD LYS A 76 -11.319 -4.628 -5.992 1.00 0.00 C ATOM 1166 CE LYS A 76 -11.572 -3.768 -4.753 1.00 0.00 C ATOM 1167 NZ LYS A 76 -12.978 -3.274 -4.769 1.00 0.00 N ATOM 0 H LYS A 76 -7.605 -4.258 -6.491 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.281 -6.107 -4.255 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.832 -6.130 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.111 -4.563 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.347 -3.871 -6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.625 -5.510 -7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.751 -4.152 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.808 -5.596 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.390 -4.350 -3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.880 -2.926 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.985 -2.253 -4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.513 -3.772 -5.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.419 -3.452 -3.844 1.00 0.00 H new ATOM 1181 N ALA A 77 -7.767 -7.178 -7.252 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.890 -8.388 -8.103 1.00 0.00 C ATOM 1183 C ALA A 77 -6.587 -9.186 -8.040 1.00 0.00 C ATOM 1184 O ALA A 77 -6.573 -10.393 -8.186 1.00 0.00 O ATOM 1185 CB ALA A 77 -8.157 -7.941 -9.544 1.00 0.00 C ATOM 0 H ALA A 77 -7.526 -6.324 -7.755 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.708 -9.017 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.251 -8.817 -10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.081 -7.364 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.330 -7.323 -9.892 1.00 0.00 H new ATOM 1191 N ALA A 78 -5.491 -8.515 -7.825 1.00 0.00 N ATOM 1192 CA ALA A 78 -4.181 -9.218 -7.752 1.00 0.00 C ATOM 1193 C ALA A 78 -4.291 -10.424 -6.815 1.00 0.00 C ATOM 1194 O ALA A 78 -4.656 -10.297 -5.664 1.00 0.00 O ATOM 1195 CB ALA A 78 -3.120 -8.251 -7.220 1.00 0.00 C ATOM 0 H ALA A 78 -5.446 -7.504 -7.696 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.898 -9.563 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.158 -8.761 -7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.039 -7.395 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.406 -7.907 -6.226 1.00 0.00 H new ATOM 1201 N LYS A 79 -3.968 -11.597 -7.303 1.00 0.00 N ATOM 1202 CA LYS A 79 -4.039 -12.827 -6.451 1.00 0.00 C ATOM 1203 C LYS A 79 -2.627 -13.213 -6.009 1.00 0.00 C ATOM 1204 O LYS A 79 -1.658 -12.586 -6.387 1.00 0.00 O ATOM 1205 CB LYS A 79 -4.642 -13.974 -7.265 1.00 0.00 C ATOM 1206 CG LYS A 79 -6.140 -13.728 -7.467 1.00 0.00 C ATOM 1207 CD LYS A 79 -6.663 -14.629 -8.589 1.00 0.00 C ATOM 1208 CE LYS A 79 -6.354 -16.092 -8.265 1.00 0.00 C ATOM 1209 NZ LYS A 79 -7.172 -16.978 -9.139 1.00 0.00 N ATOM 0 H LYS A 79 -3.656 -11.757 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.660 -12.632 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.142 -14.050 -8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.485 -14.921 -6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.680 -13.932 -6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.316 -12.681 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.738 -14.492 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.201 -14.351 -9.536 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.293 -16.293 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.571 -16.297 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.962 -17.973 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.182 -16.792 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.944 -16.789 -10.136 1.00 0.00 H new ATOM 1223 N LYS A 80 -2.498 -14.241 -5.214 1.00 0.00 N ATOM 1224 CA LYS A 80 -1.140 -14.656 -4.761 1.00 0.00 C ATOM 1225 C LYS A 80 -0.224 -14.796 -5.977 1.00 0.00 C ATOM 1226 O LYS A 80 -0.671 -15.063 -7.076 1.00 0.00 O ATOM 1227 CB LYS A 80 -1.221 -15.997 -4.017 1.00 0.00 C ATOM 1228 CG LYS A 80 -1.984 -15.820 -2.689 1.00 0.00 C ATOM 1229 CD LYS A 80 -1.580 -16.924 -1.701 1.00 0.00 C ATOM 1230 CE LYS A 80 -2.644 -17.057 -0.607 1.00 0.00 C ATOM 1231 NZ LYS A 80 -2.104 -17.882 0.511 1.00 0.00 N ATOM 0 H LYS A 80 -3.269 -14.808 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.739 -13.901 -4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.724 -16.737 -4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.217 -16.375 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.766 -14.841 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.058 -15.857 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.466 -17.872 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.614 -16.689 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.930 -16.071 -0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.543 -17.519 -1.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.825 -17.973 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.852 -18.826 0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.258 -17.423 0.904 1.00 0.00 H new ATOM 1245 N GLY A 81 1.054 -14.608 -5.795 1.00 0.00 N ATOM 1246 CA GLY A 81 2.000 -14.718 -6.943 1.00 0.00 C ATOM 1247 C GLY A 81 2.049 -13.379 -7.681 1.00 0.00 C ATOM 1248 O GLY A 81 2.980 -13.089 -8.405 1.00 0.00 O ATOM 0 H GLY A 81 1.486 -14.382 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.994 -14.988 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.679 -15.509 -7.620 1.00 0.00 H new ATOM 1252 N SER A 82 1.053 -12.556 -7.493 1.00 0.00 N ATOM 1253 CA SER A 82 1.036 -11.231 -8.166 1.00 0.00 C ATOM 1254 C SER A 82 2.224 -10.417 -7.666 1.00 0.00 C ATOM 1255 O SER A 82 2.162 -9.789 -6.629 1.00 0.00 O ATOM 1256 CB SER A 82 -0.264 -10.501 -7.830 1.00 0.00 C ATOM 1257 OG SER A 82 -1.342 -11.121 -8.518 1.00 0.00 O ATOM 0 H SER A 82 0.247 -12.748 -6.898 1.00 0.00 H new ATOM 0 HA SER A 82 1.101 -11.361 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.441 -10.526 -6.755 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.190 -9.452 -8.116 1.00 0.00 H new ATOM 0 HG SER A 82 -1.618 -11.927 -8.034 1.00 0.00 H new ATOM 1263 N MET A 83 3.309 -10.429 -8.380 1.00 0.00 N ATOM 1264 CA MET A 83 4.488 -9.659 -7.914 1.00 0.00 C ATOM 1265 C MET A 83 4.157 -8.170 -7.917 1.00 0.00 C ATOM 1266 O MET A 83 3.180 -7.744 -8.500 1.00 0.00 O ATOM 1267 CB MET A 83 5.676 -9.917 -8.842 1.00 0.00 C ATOM 1268 CG MET A 83 6.053 -11.397 -8.796 1.00 0.00 C ATOM 1269 SD MET A 83 7.285 -11.749 -10.074 1.00 0.00 S ATOM 1270 CE MET A 83 8.564 -10.618 -9.473 1.00 0.00 C ATOM 0 H MET A 83 3.431 -10.934 -9.258 1.00 0.00 H new ATOM 0 HA MET A 83 4.746 -9.975 -6.903 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.423 -9.628 -9.862 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.526 -9.306 -8.539 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.451 -11.651 -7.813 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.167 -12.013 -8.951 1.00 0.00 H new ATOM 0 HE1 MET A 83 9.544 -10.974 -9.793 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.389 -9.622 -9.880 1.00 0.00 H new ATOM 0 HE3 MET A 83 8.531 -10.576 -8.384 1.00 0.00 H new ATOM 1280 N VAL A 84 4.967 -7.366 -7.273 1.00 0.00 N ATOM 1281 CA VAL A 84 4.698 -5.896 -7.248 1.00 0.00 C ATOM 1282 C VAL A 84 6.030 -5.142 -7.295 1.00 0.00 C ATOM 1283 O VAL A 84 6.889 -5.319 -6.460 1.00 0.00 O ATOM 1284 CB VAL A 84 3.874 -5.531 -5.984 1.00 0.00 C ATOM 1285 CG1 VAL A 84 3.000 -6.721 -5.576 1.00 0.00 C ATOM 1286 CG2 VAL A 84 4.782 -5.175 -4.803 1.00 0.00 C ATOM 0 H VAL A 84 5.800 -7.664 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 84 4.109 -5.606 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 84 3.260 -4.665 -6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.423 -6.461 -4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.320 -6.969 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.634 -7.580 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.170 -4.925 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.419 -6.027 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.404 -4.320 -5.067 1.00 0.00 H new ATOM 1296 N TYR A 85 6.209 -4.311 -8.286 1.00 0.00 N ATOM 1297 CA TYR A 85 7.486 -3.548 -8.409 1.00 0.00 C ATOM 1298 C TYR A 85 7.328 -2.168 -7.770 1.00 0.00 C ATOM 1299 O TYR A 85 6.624 -1.314 -8.276 1.00 0.00 O ATOM 1300 CB TYR A 85 7.829 -3.396 -9.891 1.00 0.00 C ATOM 1301 CG TYR A 85 7.679 -4.737 -10.572 1.00 0.00 C ATOM 1302 CD1 TYR A 85 6.408 -5.201 -10.933 1.00 0.00 C ATOM 1303 CD2 TYR A 85 8.809 -5.521 -10.833 1.00 0.00 C ATOM 1304 CE1 TYR A 85 6.267 -6.447 -11.558 1.00 0.00 C ATOM 1305 CE2 TYR A 85 8.669 -6.768 -11.458 1.00 0.00 C ATOM 1306 CZ TYR A 85 7.399 -7.230 -11.820 1.00 0.00 C ATOM 1307 OH TYR A 85 7.261 -8.458 -12.434 1.00 0.00 O ATOM 0 H TYR A 85 5.524 -4.127 -9.019 1.00 0.00 H new ATOM 0 HA TYR A 85 8.286 -4.083 -7.898 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.171 -2.662 -10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.849 -3.028 -10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.536 -4.598 -10.729 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.789 -5.165 -10.553 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.287 -6.804 -11.838 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.541 -7.372 -11.660 1.00 0.00 H new ATOM 0 HH TYR A 85 8.143 -8.870 -12.543 1.00 0.00 H new ATOM 1317 N PHE A 86 7.986 -1.940 -6.661 1.00 0.00 N ATOM 1318 CA PHE A 86 7.893 -0.611 -5.983 1.00 0.00 C ATOM 1319 C PHE A 86 9.088 0.236 -6.420 1.00 0.00 C ATOM 1320 O PHE A 86 10.222 -0.067 -6.108 1.00 0.00 O ATOM 1321 CB PHE A 86 7.913 -0.821 -4.463 1.00 0.00 C ATOM 1322 CG PHE A 86 8.027 0.510 -3.744 1.00 0.00 C ATOM 1323 CD1 PHE A 86 7.083 1.522 -3.976 1.00 0.00 C ATOM 1324 CD2 PHE A 86 9.074 0.729 -2.835 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.189 2.746 -3.303 1.00 0.00 C ATOM 1326 CE2 PHE A 86 9.177 1.954 -2.164 1.00 0.00 C ATOM 1327 CZ PHE A 86 8.235 2.961 -2.398 1.00 0.00 C ATOM 0 H PHE A 86 8.586 -2.620 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 86 6.968 -0.102 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.004 -1.334 -4.149 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.751 -1.462 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.275 1.357 -4.673 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.801 -0.048 -2.653 1.00 0.00 H new ATOM 0 HE1 PHE A 86 6.463 3.525 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.984 2.121 -1.466 1.00 0.00 H new ATOM 0 HZ PHE A 86 8.315 3.905 -1.880 1.00 0.00 H new ATOM 1337 N LYS A 87 8.845 1.283 -7.169 1.00 0.00 N ATOM 1338 CA LYS A 87 9.973 2.135 -7.661 1.00 0.00 C ATOM 1339 C LYS A 87 10.184 3.345 -6.751 1.00 0.00 C ATOM 1340 O LYS A 87 9.264 3.861 -6.148 1.00 0.00 O ATOM 1341 CB LYS A 87 9.653 2.622 -9.075 1.00 0.00 C ATOM 1342 CG LYS A 87 10.802 3.493 -9.587 1.00 0.00 C ATOM 1343 CD LYS A 87 10.647 3.709 -11.093 1.00 0.00 C ATOM 1344 CE LYS A 87 11.713 4.692 -11.582 1.00 0.00 C ATOM 1345 NZ LYS A 87 11.626 5.953 -10.792 1.00 0.00 N ATOM 0 H LYS A 87 7.915 1.585 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 87 10.885 1.537 -7.660 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.504 1.771 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.724 3.192 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.804 4.452 -9.070 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.758 3.014 -9.374 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.745 2.759 -11.619 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.652 4.095 -11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.705 4.252 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.569 4.903 -12.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.835 6.764 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.667 6.053 -10.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.315 5.923 -10.014 1.00 0.00 H new ATOM 1359 N VAL A 88 11.405 3.803 -6.667 1.00 0.00 N ATOM 1360 CA VAL A 88 11.724 4.987 -5.820 1.00 0.00 C ATOM 1361 C VAL A 88 12.992 5.650 -6.362 1.00 0.00 C ATOM 1362 O VAL A 88 14.091 5.171 -6.155 1.00 0.00 O ATOM 1363 CB VAL A 88 11.961 4.544 -4.374 1.00 0.00 C ATOM 1364 CG1 VAL A 88 12.457 5.735 -3.548 1.00 0.00 C ATOM 1365 CG2 VAL A 88 10.652 4.023 -3.775 1.00 0.00 C ATOM 0 H VAL A 88 12.204 3.401 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 88 10.892 5.691 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 88 12.709 3.752 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 88 12.626 5.419 -2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 88 13.390 6.107 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 88 11.709 6.527 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 88 10.823 3.708 -2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.903 4.815 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.297 3.175 -4.360 1.00 0.00 H new ATOM 1375 N GLY A 89 12.855 6.746 -7.056 1.00 0.00 N ATOM 1376 CA GLY A 89 14.057 7.430 -7.610 1.00 0.00 C ATOM 1377 C GLY A 89 14.901 6.423 -8.396 1.00 0.00 C ATOM 1378 O GLY A 89 14.412 5.739 -9.272 1.00 0.00 O ATOM 0 H GLY A 89 11.964 7.197 -7.263 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.754 8.252 -8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.647 7.863 -6.802 1.00 0.00 H new ATOM 1382 N ASN A 90 16.169 6.329 -8.090 1.00 0.00 N ATOM 1383 CA ASN A 90 17.050 5.367 -8.817 1.00 0.00 C ATOM 1384 C ASN A 90 17.050 4.018 -8.092 1.00 0.00 C ATOM 1385 O ASN A 90 18.089 3.480 -7.765 1.00 0.00 O ATOM 1386 CB ASN A 90 18.477 5.920 -8.859 1.00 0.00 C ATOM 1387 CG ASN A 90 18.544 7.092 -9.840 1.00 0.00 C ATOM 1388 OD1 ASN A 90 17.527 7.623 -10.241 1.00 0.00 O ATOM 1389 ND2 ASN A 90 19.708 7.523 -10.246 1.00 0.00 N ATOM 0 H ASN A 90 16.633 6.878 -7.367 1.00 0.00 H new ATOM 0 HA ASN A 90 16.678 5.231 -9.832 1.00 0.00 H new ATOM 0 HB2 ASN A 90 18.781 6.247 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 90 19.172 5.138 -9.163 1.00 0.00 H new ATOM 0 HD21 ASN A 90 19.763 8.305 -10.899 1.00 0.00 H new ATOM 0 HD22 ASN A 90 20.562 7.078 -9.910 1.00 0.00 H new ATOM 1396 N GLU A 91 15.893 3.467 -7.838 1.00 0.00 N ATOM 1397 CA GLU A 91 15.828 2.151 -7.135 1.00 0.00 C ATOM 1398 C GLU A 91 14.519 1.444 -7.492 1.00 0.00 C ATOM 1399 O GLU A 91 13.498 2.073 -7.691 1.00 0.00 O ATOM 1400 CB GLU A 91 15.885 2.377 -5.622 1.00 0.00 C ATOM 1401 CG GLU A 91 16.091 1.037 -4.913 1.00 0.00 C ATOM 1402 CD GLU A 91 17.512 0.534 -5.173 1.00 0.00 C ATOM 1403 OE1 GLU A 91 18.409 0.964 -4.467 1.00 0.00 O ATOM 1404 OE2 GLU A 91 17.678 -0.272 -6.074 1.00 0.00 O ATOM 0 H GLU A 91 14.990 3.871 -8.087 1.00 0.00 H new ATOM 0 HA GLU A 91 16.672 1.534 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.699 3.059 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.962 2.844 -5.278 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.925 1.151 -3.842 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.365 0.308 -5.272 1.00 0.00 H new ATOM 1411 N THR A 92 14.538 0.139 -7.574 1.00 0.00 N ATOM 1412 CA THR A 92 13.294 -0.611 -7.917 1.00 0.00 C ATOM 1413 C THR A 92 13.343 -2.000 -7.287 1.00 0.00 C ATOM 1414 O THR A 92 14.114 -2.849 -7.688 1.00 0.00 O ATOM 1415 CB THR A 92 13.180 -0.741 -9.438 1.00 0.00 C ATOM 1416 OG1 THR A 92 13.221 0.552 -10.027 1.00 0.00 O ATOM 1417 CG2 THR A 92 11.861 -1.425 -9.798 1.00 0.00 C ATOM 0 H THR A 92 15.363 -0.440 -7.418 1.00 0.00 H new ATOM 0 HA THR A 92 12.428 -0.072 -7.533 1.00 0.00 H new ATOM 0 HB THR A 92 14.010 -1.339 -9.814 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.150 0.470 -11.001 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.782 -1.516 -10.881 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.831 -2.417 -9.347 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.028 -0.830 -9.423 1.00 0.00 H new ATOM 1425 N ARG A 93 12.522 -2.234 -6.296 1.00 0.00 N ATOM 1426 CA ARG A 93 12.510 -3.572 -5.621 1.00 0.00 C ATOM 1427 C ARG A 93 11.336 -4.406 -6.134 1.00 0.00 C ATOM 1428 O ARG A 93 10.466 -3.914 -6.824 1.00 0.00 O ATOM 1429 CB ARG A 93 12.381 -3.374 -4.107 1.00 0.00 C ATOM 1430 CG ARG A 93 13.532 -2.468 -3.590 1.00 0.00 C ATOM 1431 CD ARG A 93 13.018 -1.049 -3.320 1.00 0.00 C ATOM 1432 NE ARG A 93 12.321 -1.024 -2.005 1.00 0.00 N ATOM 1433 CZ ARG A 93 12.082 0.112 -1.413 1.00 0.00 C ATOM 1434 NH1 ARG A 93 12.459 1.231 -1.967 1.00 0.00 N ATOM 1435 NH2 ARG A 93 11.466 0.127 -0.262 1.00 0.00 N ATOM 0 H ARG A 93 11.857 -1.557 -5.922 1.00 0.00 H new ATOM 0 HA ARG A 93 13.439 -4.096 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.418 -2.922 -3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.412 -4.339 -3.602 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.952 -2.889 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.336 -2.436 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.848 -0.343 -3.319 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.337 -0.739 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 93 12.030 -1.898 -1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.942 1.218 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.271 2.119 -1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.173 -0.749 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.277 1.015 0.204 1.00 0.00 H new ATOM 1449 N LYS A 94 11.309 -5.673 -5.800 1.00 0.00 N ATOM 1450 CA LYS A 94 10.199 -6.562 -6.262 1.00 0.00 C ATOM 1451 C LYS A 94 9.791 -7.506 -5.127 1.00 0.00 C ATOM 1452 O LYS A 94 10.603 -7.907 -4.316 1.00 0.00 O ATOM 1453 CB LYS A 94 10.672 -7.397 -7.462 1.00 0.00 C ATOM 1454 CG LYS A 94 11.330 -6.491 -8.529 1.00 0.00 C ATOM 1455 CD LYS A 94 12.852 -6.371 -8.280 1.00 0.00 C ATOM 1456 CE LYS A 94 13.600 -7.484 -9.027 1.00 0.00 C ATOM 1457 NZ LYS A 94 12.821 -8.751 -8.946 1.00 0.00 N ATOM 0 H LYS A 94 12.014 -6.132 -5.223 1.00 0.00 H new ATOM 0 HA LYS A 94 9.347 -5.948 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.384 -8.152 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.826 -7.928 -7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.150 -6.901 -9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.873 -5.502 -8.505 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.207 -5.396 -8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 94 13.060 -6.437 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.746 -7.201 -10.069 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.590 -7.625 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.312 -9.495 -9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.732 -9.041 -7.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.874 -8.603 -9.349 1.00 0.00 H new ATOM 1471 N TYR A 95 8.533 -7.867 -5.071 1.00 0.00 N ATOM 1472 CA TYR A 95 8.040 -8.792 -4.003 1.00 0.00 C ATOM 1473 C TYR A 95 7.157 -9.854 -4.659 1.00 0.00 C ATOM 1474 O TYR A 95 6.891 -9.798 -5.844 1.00 0.00 O ATOM 1475 CB TYR A 95 7.207 -8.019 -2.969 1.00 0.00 C ATOM 1476 CG TYR A 95 7.957 -6.786 -2.500 1.00 0.00 C ATOM 1477 CD1 TYR A 95 8.184 -5.718 -3.383 1.00 0.00 C ATOM 1478 CD2 TYR A 95 8.426 -6.707 -1.178 1.00 0.00 C ATOM 1479 CE1 TYR A 95 8.877 -4.584 -2.948 1.00 0.00 C ATOM 1480 CE2 TYR A 95 9.118 -5.571 -0.749 1.00 0.00 C ATOM 1481 CZ TYR A 95 9.345 -4.510 -1.633 1.00 0.00 C ATOM 1482 OH TYR A 95 10.029 -3.390 -1.206 1.00 0.00 O ATOM 0 H TYR A 95 7.817 -7.556 -5.728 1.00 0.00 H new ATOM 0 HA TYR A 95 8.890 -9.251 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.252 -7.727 -3.407 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.984 -8.662 -2.118 1.00 0.00 H new ATOM 0 HD1 TYR A 95 7.823 -5.772 -4.399 1.00 0.00 H new ATOM 0 HD2 TYR A 95 8.252 -7.524 -0.493 1.00 0.00 H new ATOM 0 HE1 TYR A 95 9.051 -3.764 -3.629 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.479 -5.512 0.267 1.00 0.00 H new ATOM 0 HH TYR A 95 9.872 -3.256 -0.248 1.00 0.00 H new ATOM 1492 N LYS A 96 6.699 -10.820 -3.901 1.00 0.00 N ATOM 1493 CA LYS A 96 5.827 -11.894 -4.477 1.00 0.00 C ATOM 1494 C LYS A 96 4.596 -12.089 -3.592 1.00 0.00 C ATOM 1495 O LYS A 96 4.678 -12.644 -2.514 1.00 0.00 O ATOM 1496 CB LYS A 96 6.611 -13.205 -4.544 1.00 0.00 C ATOM 1497 CG LYS A 96 5.828 -14.224 -5.373 1.00 0.00 C ATOM 1498 CD LYS A 96 6.658 -15.499 -5.538 1.00 0.00 C ATOM 1499 CE LYS A 96 5.870 -16.518 -6.365 1.00 0.00 C ATOM 1500 NZ LYS A 96 5.701 -16.007 -7.755 1.00 0.00 N ATOM 0 H LYS A 96 6.892 -10.912 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 96 5.512 -11.602 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.591 -13.033 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.781 -13.591 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.882 -14.455 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 96 5.588 -13.805 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.603 -15.269 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.900 -15.917 -4.561 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.394 -17.474 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.895 -16.695 -5.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.466 -16.797 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.933 -15.306 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.586 -15.561 -8.071 1.00 0.00 H new ATOM 1514 N MET A 97 3.451 -11.642 -4.040 1.00 0.00 N ATOM 1515 CA MET A 97 2.215 -11.815 -3.227 1.00 0.00 C ATOM 1516 C MET A 97 2.124 -13.273 -2.768 1.00 0.00 C ATOM 1517 O MET A 97 1.710 -14.139 -3.512 1.00 0.00 O ATOM 1518 CB MET A 97 0.991 -11.455 -4.073 1.00 0.00 C ATOM 1519 CG MET A 97 -0.216 -11.219 -3.162 1.00 0.00 C ATOM 1520 SD MET A 97 -1.641 -10.721 -4.163 1.00 0.00 S ATOM 1521 CE MET A 97 -1.440 -8.932 -3.983 1.00 0.00 C ATOM 0 H MET A 97 3.321 -11.166 -4.933 1.00 0.00 H new ATOM 0 HA MET A 97 2.247 -11.160 -2.356 1.00 0.00 H new ATOM 0 HB2 MET A 97 1.194 -10.561 -4.662 1.00 0.00 H new ATOM 0 HB3 MET A 97 0.775 -12.258 -4.778 1.00 0.00 H new ATOM 0 HG2 MET A 97 -0.448 -12.127 -2.606 1.00 0.00 H new ATOM 0 HG3 MET A 97 0.014 -10.446 -2.428 1.00 0.00 H new ATOM 0 HE1 MET A 97 -2.373 -8.433 -4.245 1.00 0.00 H new ATOM 0 HE2 MET A 97 -1.180 -8.697 -2.951 1.00 0.00 H new ATOM 0 HE3 MET A 97 -0.645 -8.587 -4.645 1.00 0.00 H new ATOM 1531 N THR A 98 2.527 -13.554 -1.551 1.00 0.00 N ATOM 1532 CA THR A 98 2.489 -14.962 -1.039 1.00 0.00 C ATOM 1533 C THR A 98 1.878 -14.988 0.367 1.00 0.00 C ATOM 1534 O THR A 98 2.116 -15.891 1.143 1.00 0.00 O ATOM 1535 CB THR A 98 3.925 -15.508 -0.991 1.00 0.00 C ATOM 1536 OG1 THR A 98 4.634 -15.055 -2.136 1.00 0.00 O ATOM 1537 CG2 THR A 98 3.907 -17.039 -0.979 1.00 0.00 C ATOM 0 H THR A 98 2.882 -12.866 -0.887 1.00 0.00 H new ATOM 0 HA THR A 98 1.879 -15.579 -1.699 1.00 0.00 H new ATOM 0 HB THR A 98 4.414 -15.152 -0.084 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.943 -14.137 -1.987 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.930 -17.415 -0.945 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.362 -17.390 -0.102 1.00 0.00 H new ATOM 0 HG23 THR A 98 3.416 -17.404 -1.881 1.00 0.00 H new ATOM 1545 N SER A 99 1.085 -14.010 0.698 1.00 0.00 N ATOM 1546 CA SER A 99 0.454 -13.984 2.042 1.00 0.00 C ATOM 1547 C SER A 99 -0.643 -12.932 2.025 1.00 0.00 C ATOM 1548 O SER A 99 -0.402 -11.781 1.722 1.00 0.00 O ATOM 1549 CB SER A 99 1.500 -13.632 3.093 1.00 0.00 C ATOM 1550 OG SER A 99 0.850 -13.260 4.301 1.00 0.00 O ATOM 0 H SER A 99 0.846 -13.225 0.092 1.00 0.00 H new ATOM 0 HA SER A 99 0.034 -14.960 2.286 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.156 -14.484 3.268 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.127 -12.814 2.738 1.00 0.00 H new ATOM 0 HG SER A 99 1.522 -13.035 4.978 1.00 0.00 H new ATOM 1556 N ILE A 100 -1.857 -13.321 2.311 1.00 0.00 N ATOM 1557 CA ILE A 100 -2.991 -12.350 2.275 1.00 0.00 C ATOM 1558 C ILE A 100 -3.824 -12.463 3.553 1.00 0.00 C ATOM 1559 O ILE A 100 -3.688 -13.395 4.320 1.00 0.00 O ATOM 1560 CB ILE A 100 -3.853 -12.670 1.047 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -3.072 -12.323 -0.230 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -5.149 -11.857 1.085 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -3.696 -13.043 -1.426 1.00 0.00 C ATOM 0 H ILE A 100 -2.114 -14.274 2.569 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.612 -11.330 2.210 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.099 -13.732 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.085 -11.246 -0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.028 -12.616 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.752 -12.093 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.708 -12.105 1.987 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.911 -10.793 1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.140 -12.795 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.660 -14.120 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.733 -12.728 -1.540 1.00 0.00 H new ATOM 1842 N ASP A 118 10.315 -11.343 5.574 1.00 0.00 N ATOM 1843 CA ASP A 118 11.252 -10.455 4.809 1.00 0.00 C ATOM 1844 C ASP A 118 10.563 -9.117 4.558 1.00 0.00 C ATOM 1845 O ASP A 118 9.378 -8.983 4.771 1.00 0.00 O ATOM 1846 CB ASP A 118 11.591 -11.110 3.468 1.00 0.00 C ATOM 1847 CG ASP A 118 12.009 -12.562 3.701 1.00 0.00 C ATOM 1848 OD1 ASP A 118 11.148 -13.360 4.034 1.00 0.00 O ATOM 1849 OD2 ASP A 118 13.183 -12.853 3.541 1.00 0.00 O ATOM 0 HA ASP A 118 12.169 -10.302 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.728 -11.071 2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.396 -10.563 2.977 1.00 0.00 H new ATOM 1854 N LYS A 119 11.280 -8.122 4.100 1.00 0.00 N ATOM 1855 CA LYS A 119 10.625 -6.806 3.838 1.00 0.00 C ATOM 1856 C LYS A 119 9.333 -7.046 3.050 1.00 0.00 C ATOM 1857 O LYS A 119 9.343 -7.217 1.849 1.00 0.00 O ATOM 1858 CB LYS A 119 11.573 -5.902 3.038 1.00 0.00 C ATOM 1859 CG LYS A 119 10.995 -4.463 2.940 1.00 0.00 C ATOM 1860 CD LYS A 119 12.118 -3.426 3.077 1.00 0.00 C ATOM 1861 CE LYS A 119 13.082 -3.545 1.894 1.00 0.00 C ATOM 1862 NZ LYS A 119 12.370 -3.183 0.634 1.00 0.00 N ATOM 0 H LYS A 119 12.279 -8.163 3.898 1.00 0.00 H new ATOM 0 HA LYS A 119 10.391 -6.313 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.552 -5.876 3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.719 -6.311 2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.486 -4.333 1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.251 -4.309 3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.696 -2.422 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.655 -3.580 4.013 1.00 0.00 H new ATOM 0 HE2 LYS A 119 13.939 -2.888 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 119 13.468 -4.562 1.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 13.018 -2.667 0.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 12.043 -4.049 0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.552 -2.581 0.858 1.00 0.00 H new ATOM 1876 N GLN A 120 8.224 -7.095 3.738 1.00 0.00 N ATOM 1877 CA GLN A 120 6.915 -7.363 3.067 1.00 0.00 C ATOM 1878 C GLN A 120 6.187 -6.054 2.755 1.00 0.00 C ATOM 1879 O GLN A 120 6.609 -4.979 3.135 1.00 0.00 O ATOM 1880 CB GLN A 120 6.034 -8.217 3.992 1.00 0.00 C ATOM 1881 CG GLN A 120 6.073 -7.665 5.435 1.00 0.00 C ATOM 1882 CD GLN A 120 7.195 -8.329 6.238 1.00 0.00 C ATOM 1883 OE1 GLN A 120 7.496 -9.485 6.034 1.00 0.00 O ATOM 1884 NE2 GLN A 120 7.819 -7.643 7.158 1.00 0.00 N ATOM 0 H GLN A 120 8.167 -6.960 4.747 1.00 0.00 H new ATOM 0 HA GLN A 120 7.107 -7.891 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.008 -8.221 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.380 -9.251 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 120 6.224 -6.586 5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.115 -7.843 5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.565 -6.670 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.560 -8.080 7.705 1.00 0.00 H new ATOM 1893 N LEU A 121 5.079 -6.158 2.067 1.00 0.00 N ATOM 1894 CA LEU A 121 4.268 -4.952 1.709 1.00 0.00 C ATOM 1895 C LEU A 121 2.813 -5.187 2.113 1.00 0.00 C ATOM 1896 O LEU A 121 2.167 -6.095 1.630 1.00 0.00 O ATOM 1897 CB LEU A 121 4.318 -4.738 0.195 1.00 0.00 C ATOM 1898 CG LEU A 121 5.750 -4.421 -0.262 1.00 0.00 C ATOM 1899 CD1 LEU A 121 5.767 -4.263 -1.791 1.00 0.00 C ATOM 1900 CD2 LEU A 121 6.244 -3.121 0.401 1.00 0.00 C ATOM 0 H LEU A 121 4.695 -7.042 1.732 1.00 0.00 H new ATOM 0 HA LEU A 121 4.670 -4.080 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 121 3.957 -5.631 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 121 3.653 -3.921 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 121 6.411 -5.236 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.781 -4.038 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 121 5.431 -5.190 -2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 121 5.102 -3.449 -2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.260 -2.907 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.589 -2.297 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.233 -3.238 1.485 1.00 0.00 H new ATOM 1912 N THR A 122 2.282 -4.371 2.985 1.00 0.00 N ATOM 1913 CA THR A 122 0.859 -4.543 3.409 1.00 0.00 C ATOM 1914 C THR A 122 -0.027 -3.627 2.560 1.00 0.00 C ATOM 1915 O THR A 122 -0.217 -2.469 2.870 1.00 0.00 O ATOM 1916 CB THR A 122 0.720 -4.170 4.888 1.00 0.00 C ATOM 1917 OG1 THR A 122 1.418 -5.120 5.681 1.00 0.00 O ATOM 1918 CG2 THR A 122 -0.759 -4.162 5.282 1.00 0.00 C ATOM 0 H THR A 122 2.772 -3.591 3.423 1.00 0.00 H new ATOM 0 HA THR A 122 0.553 -5.580 3.271 1.00 0.00 H new ATOM 0 HB THR A 122 1.140 -3.178 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 122 2.291 -4.755 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 122 -0.854 -3.896 6.335 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.294 -3.432 4.674 1.00 0.00 H new ATOM 0 HG23 THR A 122 -1.185 -5.152 5.118 1.00 0.00 H new ATOM 1926 N LEU A 123 -0.561 -4.136 1.485 1.00 0.00 N ATOM 1927 CA LEU A 123 -1.424 -3.294 0.609 1.00 0.00 C ATOM 1928 C LEU A 123 -2.800 -3.127 1.259 1.00 0.00 C ATOM 1929 O LEU A 123 -3.280 -4.000 1.955 1.00 0.00 O ATOM 1930 CB LEU A 123 -1.583 -3.972 -0.758 1.00 0.00 C ATOM 1931 CG LEU A 123 -0.271 -3.908 -1.561 1.00 0.00 C ATOM 1932 CD1 LEU A 123 0.093 -2.449 -1.894 1.00 0.00 C ATOM 1933 CD2 LEU A 123 0.867 -4.562 -0.762 1.00 0.00 C ATOM 0 H LEU A 123 -0.437 -5.100 1.175 1.00 0.00 H new ATOM 0 HA LEU A 123 -0.963 -2.315 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -1.879 -5.012 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -2.381 -3.485 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 123 -0.412 -4.451 -2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 123 1.023 -2.427 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.705 -2.001 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.218 -1.885 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.791 -4.512 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.999 -4.034 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 123 0.619 -5.605 -0.563 1.00 0.00 H new ATOM 1945 N ILE A 124 -3.440 -2.005 1.038 1.00 0.00 N ATOM 1946 CA ILE A 124 -4.789 -1.767 1.642 1.00 0.00 C ATOM 1947 C ILE A 124 -5.671 -1.015 0.642 1.00 0.00 C ATOM 1948 O ILE A 124 -5.221 -0.120 -0.044 1.00 0.00 O ATOM 1949 CB ILE A 124 -4.644 -0.912 2.907 1.00 0.00 C ATOM 1950 CG1 ILE A 124 -3.496 -1.440 3.768 1.00 0.00 C ATOM 1951 CG2 ILE A 124 -5.945 -0.965 3.712 1.00 0.00 C ATOM 1952 CD1 ILE A 124 -3.350 -0.552 5.006 1.00 0.00 C ATOM 0 H ILE A 124 -3.085 -1.241 0.463 1.00 0.00 H new ATOM 0 HA ILE A 124 -5.241 -2.727 1.892 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.431 0.117 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -3.692 -2.470 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -2.568 -1.444 3.196 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -5.842 -0.357 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -6.764 -0.579 3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -6.157 -1.996 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -2.533 -0.922 5.625 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -3.136 0.471 4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.277 -0.571 5.579 1.00 0.00 H new ATOM 1964 N THR A 125 -6.930 -1.362 0.564 1.00 0.00 N ATOM 1965 CA THR A 125 -7.851 -0.653 -0.378 1.00 0.00 C ATOM 1966 C THR A 125 -8.615 0.422 0.399 1.00 0.00 C ATOM 1967 O THR A 125 -8.637 0.419 1.613 1.00 0.00 O ATOM 1968 CB THR A 125 -8.843 -1.652 -0.976 1.00 0.00 C ATOM 1969 OG1 THR A 125 -9.937 -1.823 -0.086 1.00 0.00 O ATOM 1970 CG2 THR A 125 -8.148 -2.997 -1.198 1.00 0.00 C ATOM 0 H THR A 125 -7.362 -2.106 1.112 1.00 0.00 H new ATOM 0 HA THR A 125 -7.277 -0.195 -1.183 1.00 0.00 H new ATOM 0 HB THR A 125 -9.207 -1.273 -1.931 1.00 0.00 H new ATOM 0 HG1 THR A 125 -10.768 -1.561 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 125 -8.857 -3.707 -1.624 1.00 0.00 H new ATOM 0 HG22 THR A 125 -7.310 -2.865 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 125 -7.781 -3.378 -0.245 1.00 0.00 H new ATOM 1978 N CYS A 126 -9.240 1.346 -0.284 1.00 0.00 N ATOM 1979 CA CYS A 126 -9.997 2.418 0.432 1.00 0.00 C ATOM 1980 C CYS A 126 -11.193 2.867 -0.414 1.00 0.00 C ATOM 1981 O CYS A 126 -11.102 2.991 -1.617 1.00 0.00 O ATOM 1982 CB CYS A 126 -9.065 3.609 0.680 1.00 0.00 C ATOM 1983 SG CYS A 126 -8.020 3.264 2.117 1.00 0.00 S ATOM 0 H CYS A 126 -9.260 1.405 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 126 -10.363 2.032 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -8.446 3.790 -0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.649 4.513 0.850 1.00 0.00 H new ATOM 0 HG CYS A 126 -8.602 3.704 3.193 1.00 0.00 H new ATOM 1989 N ASP A 127 -12.309 3.122 0.217 1.00 0.00 N ATOM 1990 CA ASP A 127 -13.519 3.577 -0.531 1.00 0.00 C ATOM 1991 C ASP A 127 -14.678 3.742 0.458 1.00 0.00 C ATOM 1992 O ASP A 127 -14.823 2.981 1.393 1.00 0.00 O ATOM 1993 CB ASP A 127 -13.887 2.546 -1.614 1.00 0.00 C ATOM 1994 CG ASP A 127 -15.341 2.734 -2.067 1.00 0.00 C ATOM 1995 OD1 ASP A 127 -15.592 3.667 -2.814 1.00 0.00 O ATOM 1996 OD2 ASP A 127 -16.175 1.943 -1.660 1.00 0.00 O ATOM 0 H ASP A 127 -12.435 3.034 1.225 1.00 0.00 H new ATOM 0 HA ASP A 127 -13.315 4.530 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -13.218 2.653 -2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -13.749 1.537 -1.225 1.00 0.00 H new ATOM 2001 N ASP A 128 -15.497 4.736 0.255 1.00 0.00 N ATOM 2002 CA ASP A 128 -16.644 4.960 1.176 1.00 0.00 C ATOM 2003 C ASP A 128 -16.120 5.098 2.601 1.00 0.00 C ATOM 2004 O ASP A 128 -16.414 4.293 3.458 1.00 0.00 O ATOM 2005 CB ASP A 128 -17.608 3.771 1.101 1.00 0.00 C ATOM 2006 CG ASP A 128 -17.907 3.446 -0.364 1.00 0.00 C ATOM 2007 OD1 ASP A 128 -17.392 4.144 -1.222 1.00 0.00 O ATOM 2008 OD2 ASP A 128 -18.647 2.505 -0.602 1.00 0.00 O ATOM 0 H ASP A 128 -15.420 5.404 -0.512 1.00 0.00 H new ATOM 0 HA ASP A 128 -17.172 5.869 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -17.171 2.903 1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -18.533 4.005 1.628 1.00 0.00 H new ATOM 2013 N TYR A 129 -15.337 6.105 2.864 1.00 0.00 N ATOM 2014 CA TYR A 129 -14.797 6.270 4.239 1.00 0.00 C ATOM 2015 C TYR A 129 -15.953 6.507 5.214 1.00 0.00 C ATOM 2016 O TYR A 129 -16.756 7.400 5.028 1.00 0.00 O ATOM 2017 CB TYR A 129 -13.823 7.455 4.274 1.00 0.00 C ATOM 2018 CG TYR A 129 -13.220 7.584 5.656 1.00 0.00 C ATOM 2019 CD1 TYR A 129 -13.955 8.165 6.697 1.00 0.00 C ATOM 2020 CD2 TYR A 129 -11.920 7.126 5.891 1.00 0.00 C ATOM 2021 CE1 TYR A 129 -13.387 8.284 7.972 1.00 0.00 C ATOM 2022 CE2 TYR A 129 -11.352 7.244 7.163 1.00 0.00 C ATOM 2023 CZ TYR A 129 -12.086 7.823 8.206 1.00 0.00 C ATOM 2024 OH TYR A 129 -11.527 7.939 9.462 1.00 0.00 O ATOM 0 H TYR A 129 -15.050 6.816 2.191 1.00 0.00 H new ATOM 0 HA TYR A 129 -14.262 5.367 4.533 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -13.034 7.311 3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -14.345 8.374 4.008 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -14.959 8.521 6.517 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -11.353 6.680 5.087 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -13.953 8.732 8.775 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -10.348 6.889 7.341 1.00 0.00 H new ATOM 0 HH TYR A 129 -10.940 7.173 9.631 1.00 0.00 H new ATOM 2034 N ASN A 130 -16.052 5.713 6.253 1.00 0.00 N ATOM 2035 CA ASN A 130 -17.167 5.900 7.229 1.00 0.00 C ATOM 2036 C ASN A 130 -16.756 6.929 8.286 1.00 0.00 C ATOM 2037 O ASN A 130 -15.748 6.785 8.949 1.00 0.00 O ATOM 2038 CB ASN A 130 -17.470 4.567 7.916 1.00 0.00 C ATOM 2039 CG ASN A 130 -18.795 4.672 8.675 1.00 0.00 C ATOM 2040 OD1 ASN A 130 -19.525 5.630 8.517 1.00 0.00 O ATOM 2041 ND2 ASN A 130 -19.137 3.719 9.499 1.00 0.00 N ATOM 0 H ASN A 130 -15.412 4.948 6.465 1.00 0.00 H new ATOM 0 HA ASN A 130 -18.054 6.252 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -17.525 3.769 7.176 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -16.665 4.309 8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -20.017 3.779 10.010 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -18.524 2.915 9.631 1.00 0.00 H new ATOM 2048 N GLU A 131 -17.532 7.969 8.445 1.00 0.00 N ATOM 2049 CA GLU A 131 -17.197 9.016 9.456 1.00 0.00 C ATOM 2050 C GLU A 131 -17.802 8.634 10.808 1.00 0.00 C ATOM 2051 O GLU A 131 -17.723 9.377 11.766 1.00 0.00 O ATOM 2052 CB GLU A 131 -17.771 10.361 9.003 1.00 0.00 C ATOM 2053 CG GLU A 131 -19.212 10.170 8.528 1.00 0.00 C ATOM 2054 CD GLU A 131 -19.879 11.536 8.359 1.00 0.00 C ATOM 2055 OE1 GLU A 131 -20.327 12.083 9.353 1.00 0.00 O ATOM 2056 OE2 GLU A 131 -19.930 12.013 7.237 1.00 0.00 O ATOM 0 H GLU A 131 -18.387 8.139 7.916 1.00 0.00 H new ATOM 0 HA GLU A 131 -16.114 9.095 9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -17.740 11.076 9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.164 10.774 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -19.226 9.627 7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -19.767 9.569 9.248 1.00 0.00 H new ATOM 2063 N LYS A 132 -18.406 7.481 10.895 1.00 0.00 N ATOM 2064 CA LYS A 132 -19.014 7.056 12.188 1.00 0.00 C ATOM 2065 C LYS A 132 -17.911 6.549 13.119 1.00 0.00 C ATOM 2066 O LYS A 132 -17.703 7.076 14.194 1.00 0.00 O ATOM 2067 CB LYS A 132 -20.027 5.932 11.940 1.00 0.00 C ATOM 2068 CG LYS A 132 -21.085 6.383 10.920 1.00 0.00 C ATOM 2069 CD LYS A 132 -22.152 7.245 11.606 1.00 0.00 C ATOM 2070 CE LYS A 132 -23.275 7.549 10.613 1.00 0.00 C ATOM 2071 NZ LYS A 132 -23.896 6.273 10.159 1.00 0.00 N ATOM 0 H LYS A 132 -18.505 6.816 10.128 1.00 0.00 H new ATOM 0 HA LYS A 132 -19.523 7.904 12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -19.513 5.044 11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -20.510 5.655 12.877 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -20.610 6.949 10.119 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -21.552 5.512 10.461 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -22.552 6.724 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -21.709 8.173 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -24.026 8.185 11.081 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -22.880 8.098 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -24.878 6.450 9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -23.358 5.892 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -23.886 5.585 10.939 1.00 0.00 H new ATOM 2085 N THR A 133 -17.200 5.529 12.714 1.00 0.00 N ATOM 2086 CA THR A 133 -16.105 4.984 13.573 1.00 0.00 C ATOM 2087 C THR A 133 -14.771 5.600 13.145 1.00 0.00 C ATOM 2088 O THR A 133 -13.743 5.351 13.742 1.00 0.00 O ATOM 2089 CB THR A 133 -16.038 3.463 13.406 1.00 0.00 C ATOM 2090 OG1 THR A 133 -16.039 3.139 12.022 1.00 0.00 O ATOM 2091 CG2 THR A 133 -17.250 2.823 14.084 1.00 0.00 C ATOM 0 H THR A 133 -17.330 5.048 11.824 1.00 0.00 H new ATOM 0 HA THR A 133 -16.303 5.229 14.617 1.00 0.00 H new ATOM 0 HB THR A 133 -15.125 3.085 13.866 1.00 0.00 H new ATOM 0 HG1 THR A 133 -15.994 2.166 11.914 1.00 0.00 H new ATOM 0 HG21 THR A 133 -17.203 1.740 13.966 1.00 0.00 H new ATOM 0 HG22 THR A 133 -17.247 3.073 15.145 1.00 0.00 H new ATOM 0 HG23 THR A 133 -18.164 3.199 13.625 1.00 0.00 H new ATOM 2099 N GLY A 134 -14.781 6.404 12.117 1.00 0.00 N ATOM 2100 CA GLY A 134 -13.513 7.036 11.653 1.00 0.00 C ATOM 2101 C GLY A 134 -12.609 5.969 11.033 1.00 0.00 C ATOM 2102 O GLY A 134 -11.431 5.898 11.319 1.00 0.00 O ATOM 0 H GLY A 134 -15.612 6.651 11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.729 7.815 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -13.006 7.516 12.490 1.00 0.00 H new ATOM 2106 N VAL A 135 -13.153 5.133 10.187 1.00 0.00 N ATOM 2107 CA VAL A 135 -12.331 4.062 9.548 1.00 0.00 C ATOM 2108 C VAL A 135 -12.849 3.801 8.134 1.00 0.00 C ATOM 2109 O VAL A 135 -13.988 4.084 7.820 1.00 0.00 O ATOM 2110 CB VAL A 135 -12.455 2.773 10.364 1.00 0.00 C ATOM 2111 CG1 VAL A 135 -11.345 1.799 9.960 1.00 0.00 C ATOM 2112 CG2 VAL A 135 -12.331 3.097 11.855 1.00 0.00 C ATOM 0 H VAL A 135 -14.135 5.146 9.910 1.00 0.00 H new ATOM 0 HA VAL A 135 -11.289 4.380 9.510 1.00 0.00 H new ATOM 0 HB VAL A 135 -13.425 2.316 10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -11.436 0.882 10.543 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -11.434 1.565 8.899 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -10.374 2.255 10.150 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -12.419 2.179 12.435 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -11.362 3.556 12.048 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -13.124 3.787 12.145 1.00 0.00 H new ATOM 2122 N TRP A 136 -12.031 3.248 7.281 1.00 0.00 N ATOM 2123 CA TRP A 136 -12.497 2.959 5.905 1.00 0.00 C ATOM 2124 C TRP A 136 -13.621 1.927 5.978 1.00 0.00 C ATOM 2125 O TRP A 136 -13.406 0.789 6.347 1.00 0.00 O ATOM 2126 CB TRP A 136 -11.324 2.429 5.068 1.00 0.00 C ATOM 2127 CG TRP A 136 -10.511 3.588 4.577 1.00 0.00 C ATOM 2128 CD1 TRP A 136 -9.302 3.957 5.058 1.00 0.00 C ATOM 2129 CD2 TRP A 136 -10.844 4.543 3.532 1.00 0.00 C ATOM 2130 NE1 TRP A 136 -8.876 5.080 4.370 1.00 0.00 N ATOM 2131 CE2 TRP A 136 -9.789 5.475 3.418 1.00 0.00 C ATOM 2132 CE3 TRP A 136 -11.949 4.683 2.681 1.00 0.00 C ATOM 2133 CZ2 TRP A 136 -9.829 6.516 2.490 1.00 0.00 C ATOM 2134 CZ3 TRP A 136 -11.996 5.728 1.742 1.00 0.00 C ATOM 2135 CH2 TRP A 136 -10.936 6.643 1.647 1.00 0.00 C ATOM 0 H TRP A 136 -11.065 2.987 7.480 1.00 0.00 H new ATOM 0 HA TRP A 136 -12.873 3.866 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 136 -10.705 1.762 5.668 1.00 0.00 H new ATOM 0 HB3 TRP A 136 -11.696 1.846 4.225 1.00 0.00 H new ATOM 0 HD1 TRP A 136 -8.759 3.458 5.847 1.00 0.00 H new ATOM 0 HE1 TRP A 136 -7.992 5.557 4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 136 -12.769 3.984 2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 -9.011 7.218 2.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 -12.852 5.827 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 136 -10.976 7.444 0.924 1.00 0.00 H new ATOM 2146 N GLU A 137 -14.824 2.341 5.655 1.00 0.00 N ATOM 2147 CA GLU A 137 -16.014 1.431 5.715 1.00 0.00 C ATOM 2148 C GLU A 137 -15.626 -0.016 5.388 1.00 0.00 C ATOM 2149 O GLU A 137 -15.593 -0.864 6.257 1.00 0.00 O ATOM 2150 CB GLU A 137 -17.071 1.908 4.715 1.00 0.00 C ATOM 2151 CG GLU A 137 -18.243 0.925 4.695 1.00 0.00 C ATOM 2152 CD GLU A 137 -19.422 1.551 3.949 1.00 0.00 C ATOM 2153 OE1 GLU A 137 -19.269 2.660 3.463 1.00 0.00 O ATOM 2154 OE2 GLU A 137 -20.458 0.912 3.876 1.00 0.00 O ATOM 0 H GLU A 137 -15.035 3.290 5.346 1.00 0.00 H new ATOM 0 HA GLU A 137 -16.413 1.459 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -17.423 2.902 4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -16.634 1.988 3.720 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -17.944 -0.004 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -18.537 0.672 5.714 1.00 0.00 H new ATOM 2161 N LYS A 138 -15.336 -0.306 4.143 1.00 0.00 N ATOM 2162 CA LYS A 138 -14.952 -1.703 3.754 1.00 0.00 C ATOM 2163 C LYS A 138 -13.721 -1.670 2.850 1.00 0.00 C ATOM 2164 O LYS A 138 -13.532 -0.758 2.069 1.00 0.00 O ATOM 2165 CB LYS A 138 -16.111 -2.359 3.000 1.00 0.00 C ATOM 2166 CG LYS A 138 -15.783 -3.830 2.732 1.00 0.00 C ATOM 2167 CD LYS A 138 -17.050 -4.562 2.285 1.00 0.00 C ATOM 2168 CE LYS A 138 -16.713 -6.018 1.958 1.00 0.00 C ATOM 2169 NZ LYS A 138 -16.275 -6.718 3.197 1.00 0.00 N ATOM 0 H LYS A 138 -15.348 0.366 3.376 1.00 0.00 H new ATOM 0 HA LYS A 138 -14.726 -2.275 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -17.028 -2.281 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -16.287 -1.838 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -15.015 -3.908 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -15.381 -4.294 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -17.803 -4.520 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -17.476 -4.071 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -17.584 -6.517 1.534 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -15.925 -6.060 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -16.323 -7.746 3.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -15.297 -6.446 3.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -16.899 -6.451 3.985 1.00 0.00 H new ATOM 2183 N ARG A 139 -12.881 -2.663 2.953 1.00 0.00 N ATOM 2184 CA ARG A 139 -11.657 -2.702 2.106 1.00 0.00 C ATOM 2185 C ARG A 139 -11.028 -4.098 2.196 1.00 0.00 C ATOM 2186 O ARG A 139 -11.664 -5.048 2.607 1.00 0.00 O ATOM 2187 CB ARG A 139 -10.660 -1.629 2.585 1.00 0.00 C ATOM 2188 CG ARG A 139 -10.717 -1.480 4.114 1.00 0.00 C ATOM 2189 CD ARG A 139 -10.364 -2.808 4.799 1.00 0.00 C ATOM 2190 NE ARG A 139 -11.586 -3.657 4.888 1.00 0.00 N ATOM 2191 CZ ARG A 139 -11.482 -4.920 5.201 1.00 0.00 C ATOM 2192 NH1 ARG A 139 -10.309 -5.440 5.436 1.00 0.00 N ATOM 2193 NH2 ARG A 139 -12.553 -5.663 5.276 1.00 0.00 N ATOM 0 H ARG A 139 -12.991 -3.452 3.590 1.00 0.00 H new ATOM 0 HA ARG A 139 -11.917 -2.494 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.650 -1.901 2.278 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.890 -0.674 2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -10.023 -0.703 4.435 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -11.715 -1.162 4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -9.588 -3.326 4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -9.964 -2.621 5.795 1.00 0.00 H new ATOM 0 HE ARG A 139 -12.504 -3.251 4.704 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.472 -4.860 5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -10.228 -6.427 5.681 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -13.470 -5.256 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -12.473 -6.650 5.520 1.00 0.00 H new ATOM 2207 N LYS A 140 -9.785 -4.235 1.810 1.00 0.00 N ATOM 2208 CA LYS A 140 -9.114 -5.570 1.871 1.00 0.00 C ATOM 2209 C LYS A 140 -7.635 -5.369 2.207 1.00 0.00 C ATOM 2210 O LYS A 140 -7.106 -4.285 2.068 1.00 0.00 O ATOM 2211 CB LYS A 140 -9.237 -6.269 0.515 1.00 0.00 C ATOM 2212 CG LYS A 140 -10.708 -6.561 0.219 1.00 0.00 C ATOM 2213 CD LYS A 140 -10.819 -7.374 -1.072 1.00 0.00 C ATOM 2214 CE LYS A 140 -12.293 -7.535 -1.446 1.00 0.00 C ATOM 2215 NZ LYS A 140 -12.421 -8.536 -2.542 1.00 0.00 N ATOM 0 H LYS A 140 -9.203 -3.477 1.454 1.00 0.00 H new ATOM 0 HA LYS A 140 -9.588 -6.184 2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -8.816 -5.640 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -8.666 -7.197 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -11.154 -7.112 1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -11.262 -5.628 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -10.281 -6.874 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -10.357 -8.352 -0.939 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -12.867 -7.856 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -12.705 -6.577 -1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -13.423 -8.646 -2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -11.886 -8.211 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -12.043 -9.451 -2.223 1.00 0.00 H new ATOM 2229 N ILE A 141 -6.964 -6.406 2.652 1.00 0.00 N ATOM 2230 CA ILE A 141 -5.513 -6.281 3.004 1.00 0.00 C ATOM 2231 C ILE A 141 -4.729 -7.454 2.404 1.00 0.00 C ATOM 2232 O ILE A 141 -5.167 -8.587 2.440 1.00 0.00 O ATOM 2233 CB ILE A 141 -5.365 -6.295 4.530 1.00 0.00 C ATOM 2234 CG1 ILE A 141 -6.472 -5.431 5.151 1.00 0.00 C ATOM 2235 CG2 ILE A 141 -3.989 -5.742 4.916 1.00 0.00 C ATOM 2236 CD1 ILE A 141 -6.179 -5.175 6.635 1.00 0.00 C ATOM 0 H ILE A 141 -7.360 -7.336 2.787 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.120 -5.347 2.602 1.00 0.00 H new ATOM 0 HB ILE A 141 -5.453 -7.316 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -6.544 -4.483 4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -7.435 -5.930 5.044 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.884 -5.752 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -3.210 -6.361 4.470 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -3.893 -4.719 4.552 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -6.972 -4.561 7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -6.131 -6.126 7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -5.226 -4.656 6.733 1.00 0.00 H new ATOM 2248 N PHE A 142 -3.562 -7.185 1.863 1.00 0.00 N ATOM 2249 CA PHE A 142 -2.718 -8.270 1.265 1.00 0.00 C ATOM 2250 C PHE A 142 -1.306 -8.173 1.852 1.00 0.00 C ATOM 2251 O PHE A 142 -0.954 -7.186 2.465 1.00 0.00 O ATOM 2252 CB PHE A 142 -2.660 -8.101 -0.256 1.00 0.00 C ATOM 2253 CG PHE A 142 -4.039 -7.760 -0.775 1.00 0.00 C ATOM 2254 CD1 PHE A 142 -4.568 -6.481 -0.564 1.00 0.00 C ATOM 2255 CD2 PHE A 142 -4.788 -8.723 -1.462 1.00 0.00 C ATOM 2256 CE1 PHE A 142 -5.846 -6.166 -1.039 1.00 0.00 C ATOM 2257 CE2 PHE A 142 -6.066 -8.407 -1.937 1.00 0.00 C ATOM 2258 CZ PHE A 142 -6.595 -7.128 -1.725 1.00 0.00 C ATOM 0 H PHE A 142 -3.155 -6.251 1.810 1.00 0.00 H new ATOM 0 HA PHE A 142 -3.149 -9.245 1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -1.955 -7.312 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -2.300 -9.019 -0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -3.990 -5.738 -0.035 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.380 -9.709 -1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.254 -5.180 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.644 -9.150 -2.467 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.581 -6.884 -2.091 1.00 0.00 H new ATOM 2268 N VAL A 143 -0.493 -9.188 1.684 1.00 0.00 N ATOM 2269 CA VAL A 143 0.892 -9.138 2.251 1.00 0.00 C ATOM 2270 C VAL A 143 1.870 -9.887 1.340 1.00 0.00 C ATOM 2271 O VAL A 143 1.786 -11.091 1.176 1.00 0.00 O ATOM 2272 CB VAL A 143 0.899 -9.791 3.637 1.00 0.00 C ATOM 2273 CG1 VAL A 143 2.229 -9.495 4.333 1.00 0.00 C ATOM 2274 CG2 VAL A 143 -0.250 -9.228 4.479 1.00 0.00 C ATOM 0 H VAL A 143 -0.726 -10.045 1.182 1.00 0.00 H new ATOM 0 HA VAL A 143 1.202 -8.096 2.326 1.00 0.00 H new ATOM 0 HB VAL A 143 0.774 -10.868 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 143 2.235 -9.959 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 143 3.049 -9.897 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.352 -8.417 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -0.242 -9.695 5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.128 -8.150 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.199 -9.438 3.986 1.00 0.00 H new ATOM 2284 N ALA A 144 2.808 -9.182 0.753 1.00 0.00 N ATOM 2285 CA ALA A 144 3.813 -9.844 -0.136 1.00 0.00 C ATOM 2286 C ALA A 144 5.115 -10.044 0.641 1.00 0.00 C ATOM 2287 O ALA A 144 5.280 -9.524 1.724 1.00 0.00 O ATOM 2288 CB ALA A 144 4.077 -8.959 -1.356 1.00 0.00 C ATOM 0 H ALA A 144 2.920 -8.173 0.852 1.00 0.00 H new ATOM 0 HA ALA A 144 3.431 -10.810 -0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 144 4.809 -9.441 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 144 3.148 -8.811 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 144 4.462 -7.993 -1.029 1.00 0.00 H new ATOM 2294 N THR A 145 6.038 -10.798 0.096 1.00 0.00 N ATOM 2295 CA THR A 145 7.339 -11.042 0.801 1.00 0.00 C ATOM 2296 C THR A 145 8.499 -10.817 -0.170 1.00 0.00 C ATOM 2297 O THR A 145 8.537 -11.374 -1.250 1.00 0.00 O ATOM 2298 CB THR A 145 7.374 -12.487 1.313 1.00 0.00 C ATOM 2299 OG1 THR A 145 8.533 -12.673 2.115 1.00 0.00 O ATOM 2300 CG2 THR A 145 7.409 -13.461 0.132 1.00 0.00 C ATOM 0 H THR A 145 5.948 -11.257 -0.810 1.00 0.00 H new ATOM 0 HA THR A 145 7.433 -10.353 1.641 1.00 0.00 H new ATOM 0 HB THR A 145 6.480 -12.679 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 145 8.531 -13.579 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 145 7.434 -14.485 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 145 6.520 -13.320 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.299 -13.272 -0.469 1.00 0.00 H new ATOM 2308 N GLU A 146 9.450 -10.006 0.207 1.00 0.00 N ATOM 2309 CA GLU A 146 10.610 -9.748 -0.692 1.00 0.00 C ATOM 2310 C GLU A 146 11.317 -11.072 -0.991 1.00 0.00 C ATOM 2311 O GLU A 146 11.590 -11.855 -0.103 1.00 0.00 O ATOM 2312 CB GLU A 146 11.578 -8.773 -0.006 1.00 0.00 C ATOM 2313 CG GLU A 146 12.881 -8.647 -0.822 1.00 0.00 C ATOM 2314 CD GLU A 146 13.880 -9.737 -0.411 1.00 0.00 C ATOM 2315 OE1 GLU A 146 13.512 -10.589 0.380 1.00 0.00 O ATOM 2316 OE2 GLU A 146 14.998 -9.696 -0.894 1.00 0.00 O ATOM 0 H GLU A 146 9.473 -9.511 1.099 1.00 0.00 H new ATOM 0 HA GLU A 146 10.266 -9.306 -1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 146 11.108 -7.795 0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 146 11.804 -9.123 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 146 12.660 -8.730 -1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 146 13.322 -7.663 -0.664 1.00 0.00 H new ATOM 2323 N VAL A 147 11.603 -11.336 -2.240 1.00 0.00 N ATOM 2324 CA VAL A 147 12.283 -12.619 -2.603 1.00 0.00 C ATOM 2325 C VAL A 147 13.800 -12.386 -2.654 1.00 0.00 C ATOM 2326 O VAL A 147 14.273 -11.281 -2.489 1.00 0.00 O ATOM 2327 CB VAL A 147 11.774 -13.092 -3.983 1.00 0.00 C ATOM 2328 CG1 VAL A 147 11.833 -14.621 -4.085 1.00 0.00 C ATOM 2329 CG2 VAL A 147 10.324 -12.637 -4.173 1.00 0.00 C ATOM 0 H VAL A 147 11.396 -10.719 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 147 12.061 -13.384 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 147 12.410 -12.659 -4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 147 11.470 -14.935 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 147 12.862 -14.955 -3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 147 11.208 -15.062 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 147 9.963 -12.970 -5.146 1.00 0.00 H new ATOM 0 HG22 VAL A 147 9.702 -13.068 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 147 10.274 -11.549 -4.120 1.00 0.00 H new