USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 742 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -2.27 K(o=-1.1,f=-0.19) USER MOD Set 1.3: A 87 TYR OH : rot -84:sc= 1.13 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.038) USER MOD Set 2.2: A 68 THR OG1 : rot 180:sc= -0.0191 USER MOD Set 2.3: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0354) USER MOD Single : A 15 LYS NZ :NH3+ -136:sc= -0.175 (180deg=-1.25) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -6.58! C(o=-6.6!,f=-6.5!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.19 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -90:sc= 0.311 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.32) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -6:sc= 0.149 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00681 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.65) USER MOD Single : A 81 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 82 MET CE :methyl -167:sc= -2.04! (180deg=-2.42!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -140:sc= -0.725 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -43:sc=-0.000643 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N VAL A 9 1.748 20.510 4.443 1.00 0.00 N ATOM 83 CA VAL A 9 1.640 19.067 4.263 1.00 0.00 C ATOM 84 C VAL A 9 0.270 18.561 4.699 1.00 0.00 C ATOM 85 O VAL A 9 -0.209 18.887 5.785 1.00 0.00 O ATOM 86 CB VAL A 9 2.727 18.320 5.058 1.00 0.00 C ATOM 87 CG1 VAL A 9 2.498 16.818 4.996 1.00 0.00 C ATOM 88 CG2 VAL A 9 4.110 18.679 4.534 1.00 0.00 C ATOM 0 HA VAL A 9 1.777 18.869 3.200 1.00 0.00 H new ATOM 0 HB VAL A 9 2.666 18.629 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.276 16.308 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.523 16.581 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.530 16.488 3.958 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.867 18.143 5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.185 18.400 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.271 19.752 4.636 1.00 0.00 H new ATOM 98 N ASP A 10 -0.357 17.759 3.844 1.00 0.00 N ATOM 99 CA ASP A 10 -1.673 17.204 4.139 1.00 0.00 C ATOM 100 C ASP A 10 -1.713 15.710 3.835 1.00 0.00 C ATOM 101 O ASP A 10 -1.891 15.290 2.692 1.00 0.00 O ATOM 102 CB ASP A 10 -2.750 17.931 3.333 1.00 0.00 C ATOM 103 CG ASP A 10 -3.226 19.199 4.015 1.00 0.00 C ATOM 104 OD1 ASP A 10 -2.370 20.003 4.436 1.00 0.00 O ATOM 105 OD2 ASP A 10 -4.456 19.386 4.127 1.00 0.00 O ATOM 0 H ASP A 10 0.026 17.479 2.941 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.870 17.345 5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.357 18.178 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.598 17.264 3.180 1.00 0.00 H new ATOM 110 N PRO A 11 -1.543 14.887 4.880 1.00 0.00 N ATOM 111 CA PRO A 11 -1.556 13.428 4.750 1.00 0.00 C ATOM 112 C PRO A 11 -2.945 12.887 4.425 1.00 0.00 C ATOM 113 O PRO A 11 -3.125 11.683 4.245 1.00 0.00 O ATOM 114 CB PRO A 11 -1.104 12.945 6.130 1.00 0.00 C ATOM 115 CG PRO A 11 -1.476 14.048 7.059 1.00 0.00 C ATOM 116 CD PRO A 11 -1.327 15.320 6.271 1.00 0.00 C ATOM 0 HA PRO A 11 -0.920 13.086 3.934 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.598 12.013 6.404 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.031 12.755 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.498 13.928 7.417 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.829 14.054 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.057 16.070 6.576 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.340 15.763 6.405 1.00 0.00 H new ATOM 124 N SER A 12 -3.922 13.785 4.351 1.00 0.00 N ATOM 125 CA SER A 12 -5.296 13.397 4.051 1.00 0.00 C ATOM 126 C SER A 12 -5.624 13.654 2.584 1.00 0.00 C ATOM 127 O SER A 12 -6.788 13.636 2.184 1.00 0.00 O ATOM 128 CB SER A 12 -6.271 14.163 4.946 1.00 0.00 C ATOM 129 OG SER A 12 -5.933 14.015 6.314 1.00 0.00 O ATOM 0 H SER A 12 -3.788 14.786 4.495 1.00 0.00 H new ATOM 0 HA SER A 12 -5.398 12.329 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.262 15.220 4.678 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.285 13.801 4.778 1.00 0.00 H new ATOM 0 HG SER A 12 -6.571 14.516 6.865 1.00 0.00 H new ATOM 135 N LYS A 13 -4.589 13.893 1.785 1.00 0.00 N ATOM 136 CA LYS A 13 -4.765 14.153 0.362 1.00 0.00 C ATOM 137 C LYS A 13 -4.078 13.079 -0.476 1.00 0.00 C ATOM 138 O LYS A 13 -4.246 13.026 -1.694 1.00 0.00 O ATOM 139 CB LYS A 13 -4.207 15.532 0.001 1.00 0.00 C ATOM 140 CG LYS A 13 -4.696 16.644 0.912 1.00 0.00 C ATOM 141 CD LYS A 13 -5.968 17.282 0.380 1.00 0.00 C ATOM 142 CE LYS A 13 -7.209 16.591 0.923 1.00 0.00 C ATOM 143 NZ LYS A 13 -7.471 16.957 2.343 1.00 0.00 N ATOM 0 H LYS A 13 -3.619 13.912 2.100 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.833 14.132 0.144 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.118 15.495 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.482 15.768 -1.027 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.878 16.245 1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.920 17.403 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.989 18.337 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.972 17.235 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.071 16.861 0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.088 15.511 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.882 16.142 2.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.578 17.230 2.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.136 17.756 2.379 1.00 0.00 H new ATOM 157 N VAL A 14 -3.302 12.226 0.184 1.00 0.00 N ATOM 158 CA VAL A 14 -2.592 11.152 -0.499 1.00 0.00 C ATOM 159 C VAL A 14 -3.490 9.936 -0.696 1.00 0.00 C ATOM 160 O VAL A 14 -4.191 9.512 0.223 1.00 0.00 O ATOM 161 CB VAL A 14 -1.333 10.726 0.280 1.00 0.00 C ATOM 162 CG1 VAL A 14 -1.652 10.560 1.759 1.00 0.00 C ATOM 163 CG2 VAL A 14 -0.759 9.441 -0.297 1.00 0.00 C ATOM 0 H VAL A 14 -3.149 12.258 1.192 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.294 11.541 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.582 11.509 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.751 10.259 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.014 11.506 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.420 9.796 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.130 9.155 0.265 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.503 8.647 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.492 9.599 -1.342 1.00 0.00 H new ATOM 173 N LYS A 15 -3.465 9.377 -1.901 1.00 0.00 N ATOM 174 CA LYS A 15 -4.274 8.208 -2.220 1.00 0.00 C ATOM 175 C LYS A 15 -3.425 7.115 -2.860 1.00 0.00 C ATOM 176 O LYS A 15 -2.244 7.320 -3.144 1.00 0.00 O ATOM 177 CB LYS A 15 -5.419 8.596 -3.160 1.00 0.00 C ATOM 178 CG LYS A 15 -6.310 9.697 -2.612 1.00 0.00 C ATOM 179 CD LYS A 15 -7.006 10.458 -3.727 1.00 0.00 C ATOM 180 CE LYS A 15 -8.124 9.637 -4.350 1.00 0.00 C ATOM 181 NZ LYS A 15 -7.611 8.694 -5.382 1.00 0.00 N ATOM 0 H LYS A 15 -2.892 9.716 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.690 7.821 -1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.001 8.919 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.027 7.714 -3.361 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.056 9.265 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.712 10.388 -2.017 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.413 11.390 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.280 10.726 -4.494 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.641 9.077 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.857 10.305 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.232 8.721 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.648 8.972 -5.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.595 7.729 -4.993 1.00 0.00 H new ATOM 195 N ILE A 16 -4.033 5.955 -3.087 1.00 0.00 N ATOM 196 CA ILE A 16 -3.332 4.832 -3.695 1.00 0.00 C ATOM 197 C ILE A 16 -4.288 3.958 -4.500 1.00 0.00 C ATOM 198 O ILE A 16 -5.391 3.649 -4.049 1.00 0.00 O ATOM 199 CB ILE A 16 -2.630 3.963 -2.634 1.00 0.00 C ATOM 200 CG1 ILE A 16 -3.664 3.306 -1.717 1.00 0.00 C ATOM 201 CG2 ILE A 16 -1.654 4.802 -1.824 1.00 0.00 C ATOM 202 CD1 ILE A 16 -3.052 2.431 -0.645 1.00 0.00 C ATOM 0 H ILE A 16 -5.010 5.769 -2.859 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.580 5.254 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.070 3.178 -3.141 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.263 4.083 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.344 2.705 -2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.166 4.174 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.902 5.228 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.194 5.606 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.843 1.998 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.477 1.632 -1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.394 3.032 -0.017 1.00 0.00 H new ATOM 214 N ALA A 17 -3.857 3.561 -5.693 1.00 0.00 N ATOM 215 CA ALA A 17 -4.673 2.719 -6.559 1.00 0.00 C ATOM 216 C ALA A 17 -3.816 1.697 -7.298 1.00 0.00 C ATOM 217 O ALA A 17 -2.623 1.911 -7.510 1.00 0.00 O ATOM 218 CB ALA A 17 -5.448 3.575 -7.549 1.00 0.00 C ATOM 0 H ALA A 17 -2.947 3.809 -6.082 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.381 2.175 -5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.053 2.933 -8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.097 4.262 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.750 4.145 -8.162 1.00 0.00 H new ATOM 224 N GLY A 18 -4.432 0.584 -7.686 1.00 0.00 N ATOM 225 CA GLY A 18 -3.709 -0.454 -8.396 1.00 0.00 C ATOM 226 C GLY A 18 -4.209 -1.844 -8.057 1.00 0.00 C ATOM 227 O GLY A 18 -5.115 -2.019 -7.242 1.00 0.00 O ATOM 0 H GLY A 18 -5.418 0.383 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.803 -0.289 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.648 -0.384 -8.155 1.00 0.00 H new ATOM 231 N PRO A 19 -3.614 -2.864 -8.694 1.00 0.00 N ATOM 232 CA PRO A 19 -3.989 -4.263 -8.472 1.00 0.00 C ATOM 233 C PRO A 19 -3.583 -4.761 -7.090 1.00 0.00 C ATOM 234 O PRO A 19 -4.323 -5.500 -6.443 1.00 0.00 O ATOM 235 CB PRO A 19 -3.217 -5.014 -9.560 1.00 0.00 C ATOM 236 CG PRO A 19 -2.049 -4.141 -9.866 1.00 0.00 C ATOM 237 CD PRO A 19 -2.528 -2.729 -9.679 1.00 0.00 C ATOM 0 HA PRO A 19 -5.068 -4.408 -8.519 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.897 -5.996 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.834 -5.174 -10.444 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.213 -4.361 -9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.698 -4.302 -10.885 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.732 -2.080 -9.313 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.885 -2.299 -10.615 1.00 0.00 H new ATOM 245 N GLY A 20 -2.400 -4.350 -6.643 1.00 0.00 N ATOM 246 CA GLY A 20 -1.916 -4.763 -5.338 1.00 0.00 C ATOM 247 C GLY A 20 -2.959 -4.596 -4.252 1.00 0.00 C ATOM 248 O GLY A 20 -3.037 -5.401 -3.324 1.00 0.00 O ATOM 0 H GLY A 20 -1.768 -3.739 -7.161 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.607 -5.807 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.032 -4.180 -5.081 1.00 0.00 H new ATOM 252 N LEU A 21 -3.764 -3.544 -4.364 1.00 0.00 N ATOM 253 CA LEU A 21 -4.807 -3.270 -3.383 1.00 0.00 C ATOM 254 C LEU A 21 -6.136 -3.879 -3.817 1.00 0.00 C ATOM 255 O LEU A 21 -6.980 -4.213 -2.985 1.00 0.00 O ATOM 256 CB LEU A 21 -4.964 -1.762 -3.183 1.00 0.00 C ATOM 257 CG LEU A 21 -3.672 -0.975 -2.966 1.00 0.00 C ATOM 258 CD1 LEU A 21 -3.877 0.493 -3.307 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.187 -1.129 -1.532 1.00 0.00 C ATOM 0 H LEU A 21 -3.713 -2.867 -5.125 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.511 -3.726 -2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.474 -1.351 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.615 -1.596 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.908 -1.378 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.946 1.037 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.176 0.586 -4.351 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.656 0.910 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.266 -0.562 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.948 -0.754 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.999 -2.182 -1.323 1.00 0.00 H new ATOM 271 N GLY A 22 -6.316 -4.022 -5.127 1.00 0.00 N ATOM 272 CA GLY A 22 -7.545 -4.592 -5.649 1.00 0.00 C ATOM 273 C GLY A 22 -7.875 -5.931 -5.020 1.00 0.00 C ATOM 274 O GLY A 22 -7.043 -6.526 -4.336 1.00 0.00 O ATOM 0 H GLY A 22 -5.633 -3.754 -5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.367 -3.899 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.456 -4.713 -6.729 1.00 0.00 H new ATOM 278 N SER A 23 -9.095 -6.406 -5.250 1.00 0.00 N ATOM 279 CA SER A 23 -9.536 -7.681 -4.697 1.00 0.00 C ATOM 280 C SER A 23 -9.124 -8.838 -5.601 1.00 0.00 C ATOM 281 O SER A 23 -9.649 -9.945 -5.491 1.00 0.00 O ATOM 282 CB SER A 23 -11.055 -7.682 -4.508 1.00 0.00 C ATOM 283 OG SER A 23 -11.467 -6.600 -3.691 1.00 0.00 O ATOM 0 H SER A 23 -9.796 -5.927 -5.816 1.00 0.00 H new ATOM 0 HA SER A 23 -9.056 -7.813 -3.727 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.546 -7.616 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.368 -8.623 -4.056 1.00 0.00 H new ATOM 0 HG SER A 23 -12.441 -6.621 -3.587 1.00 0.00 H new ATOM 289 N GLY A 24 -8.179 -8.572 -6.498 1.00 0.00 N ATOM 290 CA GLY A 24 -7.712 -9.600 -7.410 1.00 0.00 C ATOM 291 C GLY A 24 -6.255 -9.957 -7.185 1.00 0.00 C ATOM 292 O GLY A 24 -5.505 -10.164 -8.138 1.00 0.00 O ATOM 0 H GLY A 24 -7.729 -7.664 -6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.325 -10.494 -7.290 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.845 -9.258 -8.436 1.00 0.00 H new ATOM 296 N VAL A 25 -5.855 -10.028 -5.919 1.00 0.00 N ATOM 297 CA VAL A 25 -4.479 -10.362 -5.571 1.00 0.00 C ATOM 298 C VAL A 25 -4.319 -11.860 -5.336 1.00 0.00 C ATOM 299 O VAL A 25 -5.181 -12.499 -4.732 1.00 0.00 O ATOM 300 CB VAL A 25 -4.019 -9.604 -4.312 1.00 0.00 C ATOM 301 CG1 VAL A 25 -2.584 -9.969 -3.962 1.00 0.00 C ATOM 302 CG2 VAL A 25 -4.163 -8.103 -4.511 1.00 0.00 C ATOM 0 H VAL A 25 -6.464 -9.859 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.858 -10.061 -6.415 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.657 -9.899 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.277 -9.423 -3.070 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.517 -11.040 -3.773 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.929 -9.705 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.833 -7.583 -3.611 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.552 -7.788 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.207 -7.861 -4.708 1.00 0.00 H new ATOM 312 N ARG A 26 -3.210 -12.414 -5.816 1.00 0.00 N ATOM 313 CA ARG A 26 -2.937 -13.837 -5.660 1.00 0.00 C ATOM 314 C ARG A 26 -1.622 -14.060 -4.921 1.00 0.00 C ATOM 315 O ARG A 26 -0.689 -13.265 -5.039 1.00 0.00 O ATOM 316 CB ARG A 26 -2.891 -14.523 -7.027 1.00 0.00 C ATOM 317 CG ARG A 26 -4.215 -14.488 -7.772 1.00 0.00 C ATOM 318 CD ARG A 26 -4.150 -15.290 -9.062 1.00 0.00 C ATOM 319 NE ARG A 26 -5.273 -14.995 -9.947 1.00 0.00 N ATOM 320 CZ ARG A 26 -5.612 -15.753 -10.983 1.00 0.00 C ATOM 321 NH1 ARG A 26 -4.916 -16.847 -11.263 1.00 0.00 N ATOM 322 NH2 ARG A 26 -6.648 -15.420 -11.741 1.00 0.00 N ATOM 0 H ARG A 26 -2.486 -11.898 -6.316 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.743 -14.274 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.127 -14.044 -7.639 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.587 -15.561 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.003 -14.887 -7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.480 -13.455 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.215 -15.072 -9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.143 -16.354 -8.827 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.828 -14.160 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.119 -17.107 -10.682 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.178 -17.428 -12.059 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.186 -14.580 -11.529 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.907 -16.004 -12.536 1.00 0.00 H new ATOM 336 N ALA A 27 -1.554 -15.147 -4.159 1.00 0.00 N ATOM 337 CA ALA A 27 -0.352 -15.475 -3.403 1.00 0.00 C ATOM 338 C ALA A 27 0.815 -15.789 -4.334 1.00 0.00 C ATOM 339 O ALA A 27 0.615 -16.198 -5.478 1.00 0.00 O ATOM 340 CB ALA A 27 -0.618 -16.650 -2.472 1.00 0.00 C ATOM 0 H ALA A 27 -2.317 -15.815 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.081 -14.605 -2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.288 -16.884 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.416 -16.390 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.917 -17.519 -3.059 1.00 0.00 H new ATOM 346 N ARG A 28 2.031 -15.596 -3.837 1.00 0.00 N ATOM 347 CA ARG A 28 3.229 -15.857 -4.626 1.00 0.00 C ATOM 348 C ARG A 28 3.146 -15.169 -5.985 1.00 0.00 C ATOM 349 O ARG A 28 3.519 -15.744 -7.007 1.00 0.00 O ATOM 350 CB ARG A 28 3.422 -17.363 -4.815 1.00 0.00 C ATOM 351 CG ARG A 28 3.601 -18.123 -3.512 1.00 0.00 C ATOM 352 CD ARG A 28 4.404 -19.398 -3.716 1.00 0.00 C ATOM 353 NE ARG A 28 3.551 -20.533 -4.059 1.00 0.00 N ATOM 354 CZ ARG A 28 4.013 -21.759 -4.280 1.00 0.00 C ATOM 355 NH1 ARG A 28 5.312 -22.007 -4.193 1.00 0.00 N ATOM 356 NH2 ARG A 28 3.173 -22.739 -4.589 1.00 0.00 N ATOM 0 H ARG A 28 2.214 -15.260 -2.891 1.00 0.00 H new ATOM 0 HA ARG A 28 4.085 -15.453 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.560 -17.767 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.294 -17.532 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.105 -17.487 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.624 -18.370 -3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.136 -19.242 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.961 -19.625 -2.807 1.00 0.00 H new ATOM 0 HE ARG A 28 2.546 -20.376 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.960 -21.256 -3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.664 -22.949 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.173 -22.551 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.528 -23.680 -4.759 1.00 0.00 H new ATOM 370 N VAL A 29 2.655 -13.933 -5.987 1.00 0.00 N ATOM 371 CA VAL A 29 2.522 -13.166 -7.220 1.00 0.00 C ATOM 372 C VAL A 29 3.037 -11.742 -7.039 1.00 0.00 C ATOM 373 O VAL A 29 2.997 -11.191 -5.937 1.00 0.00 O ATOM 374 CB VAL A 29 1.059 -13.115 -7.696 1.00 0.00 C ATOM 375 CG1 VAL A 29 0.940 -12.300 -8.974 1.00 0.00 C ATOM 376 CG2 VAL A 29 0.515 -14.522 -7.898 1.00 0.00 C ATOM 0 H VAL A 29 2.343 -13.442 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 29 3.123 -13.674 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 29 0.462 -12.626 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.102 -12.276 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.287 -11.283 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.549 -12.756 -9.754 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.520 -14.467 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.113 -15.039 -8.648 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.562 -15.069 -6.956 1.00 0.00 H new ATOM 386 N LEU A 30 3.519 -11.150 -8.126 1.00 0.00 N ATOM 387 CA LEU A 30 4.040 -9.789 -8.088 1.00 0.00 C ATOM 388 C LEU A 30 2.907 -8.773 -7.978 1.00 0.00 C ATOM 389 O LEU A 30 2.132 -8.591 -8.915 1.00 0.00 O ATOM 390 CB LEU A 30 4.874 -9.506 -9.340 1.00 0.00 C ATOM 391 CG LEU A 30 5.580 -8.151 -9.383 1.00 0.00 C ATOM 392 CD1 LEU A 30 6.789 -8.149 -8.460 1.00 0.00 C ATOM 393 CD2 LEU A 30 5.994 -7.810 -10.807 1.00 0.00 C ATOM 0 H LEU A 30 3.560 -11.592 -9.045 1.00 0.00 H new ATOM 0 HA LEU A 30 4.674 -9.694 -7.206 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.627 -10.289 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.223 -9.582 -10.211 1.00 0.00 H new ATOM 0 HG LEU A 30 4.882 -7.389 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.279 -7.176 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.467 -8.347 -7.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.489 -8.922 -8.776 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.495 -6.842 -10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.674 -8.575 -11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.110 -7.768 -11.443 1.00 0.00 H new ATOM 405 N GLN A 31 2.820 -8.116 -6.827 1.00 0.00 N ATOM 406 CA GLN A 31 1.781 -7.118 -6.594 1.00 0.00 C ATOM 407 C GLN A 31 2.383 -5.720 -6.493 1.00 0.00 C ATOM 408 O GLN A 31 3.308 -5.486 -5.715 1.00 0.00 O ATOM 409 CB GLN A 31 1.005 -7.445 -5.317 1.00 0.00 C ATOM 410 CG GLN A 31 0.454 -8.862 -5.287 1.00 0.00 C ATOM 411 CD GLN A 31 -0.639 -9.085 -6.315 1.00 0.00 C ATOM 412 OE1 GLN A 31 -1.266 -8.136 -6.787 1.00 0.00 O ATOM 413 NE2 GLN A 31 -0.872 -10.344 -6.666 1.00 0.00 N ATOM 0 H GLN A 31 3.455 -8.256 -6.041 1.00 0.00 H new ATOM 0 HA GLN A 31 1.096 -7.140 -7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.659 -7.300 -4.457 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.180 -6.741 -5.213 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.266 -9.567 -5.466 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.061 -9.074 -4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.328 -11.099 -6.249 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.595 -10.556 -7.353 1.00 0.00 H new ATOM 422 N SER A 32 1.852 -4.794 -7.285 1.00 0.00 N ATOM 423 CA SER A 32 2.339 -3.419 -7.288 1.00 0.00 C ATOM 424 C SER A 32 1.183 -2.433 -7.422 1.00 0.00 C ATOM 425 O SER A 32 0.158 -2.740 -8.032 1.00 0.00 O ATOM 426 CB SER A 32 3.336 -3.213 -8.430 1.00 0.00 C ATOM 427 OG SER A 32 4.042 -1.993 -8.274 1.00 0.00 O ATOM 0 H SER A 32 1.084 -4.971 -7.933 1.00 0.00 H new ATOM 0 HA SER A 32 2.841 -3.235 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.041 -4.044 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.808 -3.212 -9.383 1.00 0.00 H new ATOM 0 HG SER A 32 4.674 -1.884 -9.015 1.00 0.00 H new ATOM 433 N PHE A 33 1.355 -1.248 -6.847 1.00 0.00 N ATOM 434 CA PHE A 33 0.326 -0.216 -6.900 1.00 0.00 C ATOM 435 C PHE A 33 0.954 1.172 -7.002 1.00 0.00 C ATOM 436 O PHE A 33 2.161 1.335 -6.825 1.00 0.00 O ATOM 437 CB PHE A 33 -0.569 -0.293 -5.663 1.00 0.00 C ATOM 438 CG PHE A 33 0.192 -0.252 -4.369 1.00 0.00 C ATOM 439 CD1 PHE A 33 0.912 -1.355 -3.937 1.00 0.00 C ATOM 440 CD2 PHE A 33 0.187 0.889 -3.583 1.00 0.00 C ATOM 441 CE1 PHE A 33 1.614 -1.320 -2.747 1.00 0.00 C ATOM 442 CE2 PHE A 33 0.887 0.930 -2.392 1.00 0.00 C ATOM 443 CZ PHE A 33 1.601 -0.176 -1.973 1.00 0.00 C ATOM 0 H PHE A 33 2.197 -0.978 -6.339 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.281 -0.388 -7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.278 0.535 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.152 -1.213 -5.703 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.925 -2.253 -4.538 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.370 1.756 -3.905 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.172 -2.186 -2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.876 1.826 -1.789 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.148 -0.146 -1.042 1.00 0.00 H new ATOM 453 N THR A 34 0.123 2.171 -7.289 1.00 0.00 N ATOM 454 CA THR A 34 0.594 3.544 -7.416 1.00 0.00 C ATOM 455 C THR A 34 0.099 4.405 -6.260 1.00 0.00 C ATOM 456 O THR A 34 -1.091 4.408 -5.942 1.00 0.00 O ATOM 457 CB THR A 34 0.136 4.174 -8.744 1.00 0.00 C ATOM 458 OG1 THR A 34 0.644 3.416 -9.848 1.00 0.00 O ATOM 459 CG2 THR A 34 0.610 5.616 -8.851 1.00 0.00 C ATOM 0 H THR A 34 -0.879 2.054 -7.438 1.00 0.00 H new ATOM 0 HA THR A 34 1.683 3.507 -7.397 1.00 0.00 H new ATOM 0 HB THR A 34 -0.954 4.164 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.346 3.823 -10.689 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.274 6.040 -9.797 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.197 6.197 -8.026 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.699 5.645 -8.806 1.00 0.00 H new ATOM 467 N VAL A 35 1.017 5.133 -5.633 1.00 0.00 N ATOM 468 CA VAL A 35 0.672 6.000 -4.513 1.00 0.00 C ATOM 469 C VAL A 35 0.821 7.470 -4.890 1.00 0.00 C ATOM 470 O VAL A 35 1.934 7.985 -4.992 1.00 0.00 O ATOM 471 CB VAL A 35 1.552 5.704 -3.284 1.00 0.00 C ATOM 472 CG1 VAL A 35 1.181 6.622 -2.129 1.00 0.00 C ATOM 473 CG2 VAL A 35 1.426 4.244 -2.878 1.00 0.00 C ATOM 0 H VAL A 35 2.006 5.140 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.369 5.796 -4.263 1.00 0.00 H new ATOM 0 HB VAL A 35 2.592 5.895 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.813 6.399 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.328 7.660 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.136 6.466 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.054 4.053 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.388 4.023 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.746 3.608 -3.703 1.00 0.00 H new ATOM 483 N ASP A 36 -0.308 8.139 -5.092 1.00 0.00 N ATOM 484 CA ASP A 36 -0.305 9.552 -5.457 1.00 0.00 C ATOM 485 C ASP A 36 -0.265 10.433 -4.211 1.00 0.00 C ATOM 486 O ASP A 36 -1.268 10.586 -3.514 1.00 0.00 O ATOM 487 CB ASP A 36 -1.539 9.887 -6.295 1.00 0.00 C ATOM 488 CG ASP A 36 -1.474 11.281 -6.888 1.00 0.00 C ATOM 489 OD1 ASP A 36 -0.352 11.801 -7.062 1.00 0.00 O ATOM 490 OD2 ASP A 36 -2.545 11.852 -7.180 1.00 0.00 O ATOM 0 H ASP A 36 -1.237 7.727 -5.009 1.00 0.00 H new ATOM 0 HA ASP A 36 0.589 9.748 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.638 9.157 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.431 9.800 -5.674 1.00 0.00 H new ATOM 495 N SER A 37 0.902 11.009 -3.937 1.00 0.00 N ATOM 496 CA SER A 37 1.073 11.871 -2.775 1.00 0.00 C ATOM 497 C SER A 37 1.465 13.284 -3.198 1.00 0.00 C ATOM 498 O SER A 37 2.120 14.010 -2.450 1.00 0.00 O ATOM 499 CB SER A 37 2.137 11.294 -1.838 1.00 0.00 C ATOM 500 OG SER A 37 3.378 11.146 -2.507 1.00 0.00 O ATOM 0 H SER A 37 1.742 10.894 -4.504 1.00 0.00 H new ATOM 0 HA SER A 37 0.121 11.920 -2.247 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.261 11.949 -0.976 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.807 10.327 -1.459 1.00 0.00 H new ATOM 0 HG SER A 37 4.042 10.777 -1.887 1.00 0.00 H new ATOM 506 N SER A 38 1.059 13.667 -4.404 1.00 0.00 N ATOM 507 CA SER A 38 1.370 14.990 -4.931 1.00 0.00 C ATOM 508 C SER A 38 0.516 16.058 -4.254 1.00 0.00 C ATOM 509 O SER A 38 0.982 17.167 -3.988 1.00 0.00 O ATOM 510 CB SER A 38 1.146 15.027 -6.444 1.00 0.00 C ATOM 511 OG SER A 38 -0.223 14.844 -6.761 1.00 0.00 O ATOM 0 H SER A 38 0.514 13.079 -5.035 1.00 0.00 H new ATOM 0 HA SER A 38 2.419 15.199 -4.721 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.491 15.981 -6.843 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.741 14.248 -6.922 1.00 0.00 H new ATOM 0 HG SER A 38 -0.408 13.888 -6.872 1.00 0.00 H new ATOM 517 N LYS A 39 -0.738 15.718 -3.977 1.00 0.00 N ATOM 518 CA LYS A 39 -1.659 16.644 -3.330 1.00 0.00 C ATOM 519 C LYS A 39 -1.323 16.801 -1.851 1.00 0.00 C ATOM 520 O LYS A 39 -1.666 17.807 -1.230 1.00 0.00 O ATOM 521 CB LYS A 39 -3.101 16.156 -3.487 1.00 0.00 C ATOM 522 CG LYS A 39 -3.627 16.259 -4.909 1.00 0.00 C ATOM 523 CD LYS A 39 -5.132 16.464 -4.933 1.00 0.00 C ATOM 524 CE LYS A 39 -5.726 16.070 -6.277 1.00 0.00 C ATOM 525 NZ LYS A 39 -5.983 14.606 -6.363 1.00 0.00 N ATOM 0 H LYS A 39 -1.140 14.806 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.556 17.616 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.162 15.118 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.746 16.736 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.138 17.088 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.374 15.352 -5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.594 15.873 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.361 17.509 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.658 16.612 -6.435 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.046 16.367 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.387 14.379 -7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.089 14.089 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.652 14.327 -5.617 1.00 0.00 H new ATOM 539 N ALA A 40 -0.649 15.801 -1.292 1.00 0.00 N ATOM 540 CA ALA A 40 -0.264 15.830 0.113 1.00 0.00 C ATOM 541 C ALA A 40 0.833 16.859 0.360 1.00 0.00 C ATOM 542 O ALA A 40 0.808 17.581 1.357 1.00 0.00 O ATOM 543 CB ALA A 40 0.192 14.450 0.564 1.00 0.00 C ATOM 0 H ALA A 40 -0.358 14.960 -1.791 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.137 16.121 0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.477 14.486 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.622 13.737 0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.048 14.137 -0.033 1.00 0.00 H new ATOM 549 N GLY A 41 1.797 16.921 -0.553 1.00 0.00 N ATOM 550 CA GLY A 41 2.891 17.865 -0.415 1.00 0.00 C ATOM 551 C GLY A 41 4.233 17.251 -0.763 1.00 0.00 C ATOM 552 O GLY A 41 4.363 16.550 -1.767 1.00 0.00 O ATOM 0 H GLY A 41 1.840 16.334 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.709 18.724 -1.061 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.919 18.237 0.609 1.00 0.00 H new ATOM 556 N LEU A 42 5.235 17.515 0.069 1.00 0.00 N ATOM 557 CA LEU A 42 6.576 16.986 -0.155 1.00 0.00 C ATOM 558 C LEU A 42 6.999 16.072 0.991 1.00 0.00 C ATOM 559 O LEU A 42 8.186 15.813 1.184 1.00 0.00 O ATOM 560 CB LEU A 42 7.579 18.130 -0.308 1.00 0.00 C ATOM 561 CG LEU A 42 7.568 19.184 0.800 1.00 0.00 C ATOM 562 CD1 LEU A 42 6.491 20.225 0.536 1.00 0.00 C ATOM 563 CD2 LEU A 42 7.358 18.529 2.158 1.00 0.00 C ATOM 0 H LEU A 42 5.144 18.092 0.905 1.00 0.00 H new ATOM 0 HA LEU A 42 6.560 16.401 -1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.580 17.703 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.389 18.629 -1.258 1.00 0.00 H new ATOM 0 HG LEU A 42 8.536 19.686 0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.498 20.967 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.686 20.716 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.516 19.739 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.353 19.294 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.405 18.000 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.166 17.823 2.350 1.00 0.00 H new ATOM 575 N ALA A 43 6.019 15.587 1.746 1.00 0.00 N ATOM 576 CA ALA A 43 6.291 14.700 2.871 1.00 0.00 C ATOM 577 C ALA A 43 6.587 13.283 2.392 1.00 0.00 C ATOM 578 O ALA A 43 6.119 12.845 1.341 1.00 0.00 O ATOM 579 CB ALA A 43 5.114 14.697 3.836 1.00 0.00 C ATOM 0 H ALA A 43 5.031 15.793 1.600 1.00 0.00 H new ATOM 0 HA ALA A 43 7.173 15.072 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.330 14.031 4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.948 15.707 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.220 14.351 3.318 1.00 0.00 H new ATOM 585 N PRO A 44 7.385 12.546 3.180 1.00 0.00 N ATOM 586 CA PRO A 44 7.763 11.167 2.856 1.00 0.00 C ATOM 587 C PRO A 44 6.589 10.201 2.976 1.00 0.00 C ATOM 588 O PRO A 44 5.552 10.537 3.551 1.00 0.00 O ATOM 589 CB PRO A 44 8.834 10.838 3.899 1.00 0.00 C ATOM 590 CG PRO A 44 8.535 11.740 5.047 1.00 0.00 C ATOM 591 CD PRO A 44 7.980 13.003 4.447 1.00 0.00 C ATOM 0 HA PRO A 44 8.107 11.070 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 44 8.788 9.790 4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.836 11.015 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 44 7.816 11.282 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 44 9.435 11.946 5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.236 13.464 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 44 8.761 13.745 4.280 1.00 0.00 H new ATOM 599 N LEU A 45 6.758 9.002 2.431 1.00 0.00 N ATOM 600 CA LEU A 45 5.712 7.986 2.478 1.00 0.00 C ATOM 601 C LEU A 45 6.238 6.690 3.086 1.00 0.00 C ATOM 602 O LEU A 45 7.340 6.246 2.765 1.00 0.00 O ATOM 603 CB LEU A 45 5.168 7.720 1.073 1.00 0.00 C ATOM 604 CG LEU A 45 4.261 6.499 0.924 1.00 0.00 C ATOM 605 CD1 LEU A 45 2.807 6.882 1.158 1.00 0.00 C ATOM 606 CD2 LEU A 45 4.434 5.870 -0.451 1.00 0.00 C ATOM 0 H LEU A 45 7.609 8.709 1.951 1.00 0.00 H new ATOM 0 HA LEU A 45 4.905 8.360 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.614 8.601 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.013 7.605 0.394 1.00 0.00 H new ATOM 0 HG LEU A 45 4.547 5.764 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.176 6.000 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.694 7.285 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.508 7.636 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.780 5.002 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.175 6.598 -1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.470 5.558 -0.581 1.00 0.00 H new ATOM 618 N GLU A 46 5.441 6.086 3.962 1.00 0.00 N ATOM 619 CA GLU A 46 5.827 4.840 4.613 1.00 0.00 C ATOM 620 C GLU A 46 4.816 3.736 4.317 1.00 0.00 C ATOM 621 O GLU A 46 3.613 3.986 4.238 1.00 0.00 O ATOM 622 CB GLU A 46 5.949 5.044 6.124 1.00 0.00 C ATOM 623 CG GLU A 46 6.911 4.077 6.794 1.00 0.00 C ATOM 624 CD GLU A 46 8.338 4.243 6.306 1.00 0.00 C ATOM 625 OE1 GLU A 46 8.674 3.670 5.249 1.00 0.00 O ATOM 626 OE2 GLU A 46 9.117 4.946 6.983 1.00 0.00 O ATOM 0 H GLU A 46 4.525 6.439 4.237 1.00 0.00 H new ATOM 0 HA GLU A 46 6.796 4.538 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.279 6.065 6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.964 4.935 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.880 4.228 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.583 3.055 6.606 1.00 0.00 H new ATOM 633 N VAL A 47 5.313 2.514 4.155 1.00 0.00 N ATOM 634 CA VAL A 47 4.454 1.371 3.870 1.00 0.00 C ATOM 635 C VAL A 47 4.857 0.159 4.701 1.00 0.00 C ATOM 636 O VAL A 47 6.040 -0.058 4.969 1.00 0.00 O ATOM 637 CB VAL A 47 4.499 0.995 2.377 1.00 0.00 C ATOM 638 CG1 VAL A 47 3.574 -0.179 2.094 1.00 0.00 C ATOM 639 CG2 VAL A 47 4.133 2.192 1.513 1.00 0.00 C ATOM 0 H VAL A 47 6.306 2.290 4.216 1.00 0.00 H new ATOM 0 HA VAL A 47 3.438 1.665 4.133 1.00 0.00 H new ATOM 0 HB VAL A 47 5.517 0.694 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.619 -0.430 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.887 -1.040 2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.552 0.091 2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.170 1.907 0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.126 2.527 1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.840 3.002 1.695 1.00 0.00 H new ATOM 649 N ARG A 48 3.867 -0.630 5.106 1.00 0.00 N ATOM 650 CA ARG A 48 4.119 -1.821 5.908 1.00 0.00 C ATOM 651 C ARG A 48 3.092 -2.909 5.604 1.00 0.00 C ATOM 652 O ARG A 48 1.924 -2.619 5.347 1.00 0.00 O ATOM 653 CB ARG A 48 4.086 -1.476 7.398 1.00 0.00 C ATOM 654 CG ARG A 48 4.015 -2.693 8.304 1.00 0.00 C ATOM 655 CD ARG A 48 4.693 -2.434 9.641 1.00 0.00 C ATOM 656 NE ARG A 48 6.115 -2.142 9.485 1.00 0.00 N ATOM 657 CZ ARG A 48 7.004 -2.278 10.463 1.00 0.00 C ATOM 658 NH1 ARG A 48 6.620 -2.701 11.658 1.00 0.00 N ATOM 659 NH2 ARG A 48 8.282 -1.993 10.244 1.00 0.00 N ATOM 0 H ARG A 48 2.883 -0.466 4.892 1.00 0.00 H new ATOM 0 HA ARG A 48 5.109 -2.198 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.976 -0.899 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.226 -0.836 7.595 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.972 -2.964 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.490 -3.542 7.812 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.204 -1.597 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.570 -3.305 10.285 1.00 0.00 H new ATOM 0 HE ARG A 48 6.444 -1.816 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.639 -2.923 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.305 -2.804 12.407 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.582 -1.669 9.324 1.00 0.00 H new ATOM 0 HH22 ARG A 48 8.964 -2.098 10.995 1.00 0.00 H new ATOM 673 N VAL A 49 3.537 -4.160 5.636 1.00 0.00 N ATOM 674 CA VAL A 49 2.657 -5.292 5.364 1.00 0.00 C ATOM 675 C VAL A 49 2.606 -6.245 6.552 1.00 0.00 C ATOM 676 O VAL A 49 3.642 -6.649 7.083 1.00 0.00 O ATOM 677 CB VAL A 49 3.111 -6.069 4.114 1.00 0.00 C ATOM 678 CG1 VAL A 49 2.188 -7.249 3.855 1.00 0.00 C ATOM 679 CG2 VAL A 49 3.166 -5.148 2.906 1.00 0.00 C ATOM 0 H VAL A 49 4.501 -4.417 5.847 1.00 0.00 H new ATOM 0 HA VAL A 49 1.662 -4.884 5.186 1.00 0.00 H new ATOM 0 HB VAL A 49 4.114 -6.456 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.524 -7.786 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.205 -7.920 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.172 -6.888 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.489 -5.713 2.032 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.177 -4.729 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.872 -4.340 3.096 1.00 0.00 H new ATOM 689 N LEU A 50 1.395 -6.604 6.965 1.00 0.00 N ATOM 690 CA LEU A 50 1.209 -7.512 8.091 1.00 0.00 C ATOM 691 C LEU A 50 0.347 -8.706 7.690 1.00 0.00 C ATOM 692 O LEU A 50 -0.684 -8.549 7.039 1.00 0.00 O ATOM 693 CB LEU A 50 0.562 -6.774 9.265 1.00 0.00 C ATOM 694 CG LEU A 50 1.521 -6.069 10.224 1.00 0.00 C ATOM 695 CD1 LEU A 50 1.826 -4.661 9.734 1.00 0.00 C ATOM 696 CD2 LEU A 50 0.938 -6.031 11.629 1.00 0.00 C ATOM 0 H LEU A 50 0.528 -6.280 6.537 1.00 0.00 H new ATOM 0 HA LEU A 50 2.189 -7.880 8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.130 -6.033 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.031 -7.489 9.836 1.00 0.00 H new ATOM 0 HG LEU A 50 2.454 -6.632 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.510 -4.174 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.286 -4.711 8.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.901 -4.088 9.675 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.634 -5.526 12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.009 -5.491 11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.771 -7.049 11.981 1.00 0.00 H new ATOM 708 N GLY A 51 0.779 -9.900 8.087 1.00 0.00 N ATOM 709 CA GLY A 51 0.036 -11.103 7.762 1.00 0.00 C ATOM 710 C GLY A 51 -1.125 -11.339 8.707 1.00 0.00 C ATOM 711 O GLY A 51 -1.304 -10.629 9.696 1.00 0.00 O ATOM 0 H GLY A 51 1.630 -10.055 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.339 -11.030 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.707 -11.961 7.794 1.00 0.00 H new ATOM 715 N PRO A 52 -1.942 -12.360 8.403 1.00 0.00 N ATOM 716 CA PRO A 52 -3.107 -12.712 9.220 1.00 0.00 C ATOM 717 C PRO A 52 -2.712 -13.301 10.570 1.00 0.00 C ATOM 718 O PRO A 52 -3.277 -12.943 11.603 1.00 0.00 O ATOM 719 CB PRO A 52 -3.833 -13.758 8.371 1.00 0.00 C ATOM 720 CG PRO A 52 -2.769 -14.356 7.517 1.00 0.00 C ATOM 721 CD PRO A 52 -1.790 -13.249 7.239 1.00 0.00 C ATOM 0 HA PRO A 52 -3.716 -11.840 9.458 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.310 -14.513 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.617 -13.302 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.283 -15.189 8.025 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.187 -14.749 6.590 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.771 -13.626 7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.020 -12.733 6.307 1.00 0.00 H new ATOM 729 N ARG A 53 -1.739 -14.206 10.553 1.00 0.00 N ATOM 730 CA ARG A 53 -1.270 -14.845 11.776 1.00 0.00 C ATOM 731 C ARG A 53 -0.323 -13.925 12.541 1.00 0.00 C ATOM 732 O ARG A 53 -0.314 -13.911 13.771 1.00 0.00 O ATOM 733 CB ARG A 53 -0.564 -16.163 11.450 1.00 0.00 C ATOM 734 CG ARG A 53 -1.379 -17.085 10.557 1.00 0.00 C ATOM 735 CD ARG A 53 -0.956 -16.968 9.101 1.00 0.00 C ATOM 736 NE ARG A 53 0.073 -17.942 8.750 1.00 0.00 N ATOM 737 CZ ARG A 53 -0.178 -19.228 8.528 1.00 0.00 C ATOM 738 NH1 ARG A 53 -1.417 -19.690 8.618 1.00 0.00 N ATOM 739 NH2 ARG A 53 0.812 -20.053 8.212 1.00 0.00 N ATOM 0 H ARG A 53 -1.261 -14.513 9.706 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.137 -15.050 12.404 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.386 -15.946 10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -0.334 -16.682 12.380 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.259 -18.116 10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.437 -16.841 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.825 -17.111 8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.582 -15.962 8.912 1.00 0.00 H new ATOM 0 HE ARG A 53 1.037 -17.618 8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.181 -19.058 8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.607 -20.678 8.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.766 -19.700 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.619 -21.040 8.042 1.00 0.00 H new ATOM 753 N GLY A 54 0.475 -13.159 11.803 1.00 0.00 N ATOM 754 CA GLY A 54 1.415 -12.247 12.430 1.00 0.00 C ATOM 755 C GLY A 54 2.761 -12.235 11.734 1.00 0.00 C ATOM 756 O GLY A 54 3.796 -12.027 12.371 1.00 0.00 O ATOM 0 H GLY A 54 0.488 -13.153 10.783 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.998 -11.240 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.551 -12.531 13.474 1.00 0.00 H new ATOM 760 N LEU A 55 2.752 -12.462 10.425 1.00 0.00 N ATOM 761 CA LEU A 55 3.983 -12.479 9.643 1.00 0.00 C ATOM 762 C LEU A 55 4.287 -11.095 9.076 1.00 0.00 C ATOM 763 O LEU A 55 3.377 -10.311 8.803 1.00 0.00 O ATOM 764 CB LEU A 55 3.874 -13.496 8.505 1.00 0.00 C ATOM 765 CG LEU A 55 4.923 -13.381 7.400 1.00 0.00 C ATOM 766 CD1 LEU A 55 6.234 -14.012 7.841 1.00 0.00 C ATOM 767 CD2 LEU A 55 4.421 -14.032 6.119 1.00 0.00 C ATOM 0 H LEU A 55 1.906 -12.637 9.883 1.00 0.00 H new ATOM 0 HA LEU A 55 4.800 -12.769 10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.934 -14.497 8.932 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.887 -13.401 8.053 1.00 0.00 H new ATOM 0 HG LEU A 55 5.100 -12.324 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.969 -13.921 7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.602 -13.502 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.073 -15.066 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.181 -13.941 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.215 -15.086 6.303 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.507 -13.536 5.792 1.00 0.00 H new ATOM 779 N VAL A 56 5.572 -10.803 8.900 1.00 0.00 N ATOM 780 CA VAL A 56 5.996 -9.515 8.362 1.00 0.00 C ATOM 781 C VAL A 56 6.578 -9.670 6.962 1.00 0.00 C ATOM 782 O VAL A 56 7.416 -10.539 6.719 1.00 0.00 O ATOM 783 CB VAL A 56 7.044 -8.845 9.270 1.00 0.00 C ATOM 784 CG1 VAL A 56 7.515 -7.533 8.663 1.00 0.00 C ATOM 785 CG2 VAL A 56 6.476 -8.624 10.664 1.00 0.00 C ATOM 0 H VAL A 56 6.337 -11.440 9.122 1.00 0.00 H new ATOM 0 HA VAL A 56 5.109 -8.883 8.316 1.00 0.00 H new ATOM 0 HB VAL A 56 7.905 -9.508 9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.255 -7.074 9.318 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.962 -7.723 7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.665 -6.860 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.229 -8.150 11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.598 -7.981 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.193 -9.583 11.098 1.00 0.00 H new ATOM 795 N GLU A 57 6.129 -8.822 6.043 1.00 0.00 N ATOM 796 CA GLU A 57 6.605 -8.865 4.665 1.00 0.00 C ATOM 797 C GLU A 57 7.260 -7.542 4.275 1.00 0.00 C ATOM 798 O GLU A 57 6.820 -6.463 4.670 1.00 0.00 O ATOM 799 CB GLU A 57 5.450 -9.176 3.712 1.00 0.00 C ATOM 800 CG GLU A 57 4.771 -10.506 3.991 1.00 0.00 C ATOM 801 CD GLU A 57 3.833 -10.442 5.182 1.00 0.00 C ATOM 802 OE1 GLU A 57 3.469 -9.319 5.589 1.00 0.00 O ATOM 803 OE2 GLU A 57 3.463 -11.515 5.704 1.00 0.00 O ATOM 0 H GLU A 57 5.436 -8.097 6.227 1.00 0.00 H new ATOM 0 HA GLU A 57 7.351 -9.656 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.710 -8.379 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.825 -9.177 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.212 -10.817 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.530 -11.267 4.171 1.00 0.00 H new ATOM 810 N PRO A 58 8.336 -7.628 3.479 1.00 0.00 N ATOM 811 CA PRO A 58 9.074 -6.448 3.017 1.00 0.00 C ATOM 812 C PRO A 58 8.277 -5.622 2.014 1.00 0.00 C ATOM 813 O PRO A 58 7.248 -6.067 1.506 1.00 0.00 O ATOM 814 CB PRO A 58 10.316 -7.047 2.349 1.00 0.00 C ATOM 815 CG PRO A 58 9.900 -8.415 1.932 1.00 0.00 C ATOM 816 CD PRO A 58 8.915 -8.882 2.968 1.00 0.00 C ATOM 0 HA PRO A 58 9.300 -5.763 3.834 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.631 -6.451 1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.158 -7.083 3.040 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.446 -8.400 0.941 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.758 -9.085 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 58 8.153 -9.529 2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 58 9.403 -9.451 3.759 1.00 0.00 H new ATOM 824 N VAL A 59 8.759 -4.415 1.733 1.00 0.00 N ATOM 825 CA VAL A 59 8.092 -3.526 0.789 1.00 0.00 C ATOM 826 C VAL A 59 9.104 -2.716 -0.013 1.00 0.00 C ATOM 827 O VAL A 59 10.277 -2.636 0.351 1.00 0.00 O ATOM 828 CB VAL A 59 7.133 -2.560 1.511 1.00 0.00 C ATOM 829 CG1 VAL A 59 5.962 -3.321 2.113 1.00 0.00 C ATOM 830 CG2 VAL A 59 7.875 -1.773 2.579 1.00 0.00 C ATOM 0 H VAL A 59 9.609 -4.031 2.146 1.00 0.00 H new ATOM 0 HA VAL A 59 7.518 -4.157 0.111 1.00 0.00 H new ATOM 0 HB VAL A 59 6.738 -1.853 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.295 -2.622 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.416 -3.835 1.321 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.334 -4.052 2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.183 -1.096 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.300 -2.462 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.676 -1.196 2.116 1.00 0.00 H new ATOM 840 N ASN A 60 8.641 -2.114 -1.103 1.00 0.00 N ATOM 841 CA ASN A 60 9.507 -1.310 -1.957 1.00 0.00 C ATOM 842 C ASN A 60 8.968 0.111 -2.093 1.00 0.00 C ATOM 843 O ASN A 60 7.758 0.324 -2.164 1.00 0.00 O ATOM 844 CB ASN A 60 9.635 -1.953 -3.341 1.00 0.00 C ATOM 845 CG ASN A 60 10.688 -1.276 -4.197 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.824 -1.081 -3.766 1.00 0.00 O ATOM 847 ND2 ASN A 60 10.313 -0.913 -5.419 1.00 0.00 N ATOM 0 H ASN A 60 7.672 -2.168 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 60 10.492 -1.264 -1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.886 -3.008 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.672 -1.908 -3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.978 -0.453 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.360 -1.094 -5.735 1.00 0.00 H new ATOM 854 N VAL A 61 9.876 1.082 -2.129 1.00 0.00 N ATOM 855 CA VAL A 61 9.493 2.483 -2.257 1.00 0.00 C ATOM 856 C VAL A 61 10.338 3.189 -3.310 1.00 0.00 C ATOM 857 O VAL A 61 11.495 3.533 -3.066 1.00 0.00 O ATOM 858 CB VAL A 61 9.635 3.228 -0.917 1.00 0.00 C ATOM 859 CG1 VAL A 61 9.299 4.702 -1.088 1.00 0.00 C ATOM 860 CG2 VAL A 61 8.750 2.591 0.144 1.00 0.00 C ATOM 0 H VAL A 61 10.882 0.924 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 61 8.447 2.499 -2.564 1.00 0.00 H new ATOM 0 HB VAL A 61 10.671 3.151 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.405 5.213 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 61 9.978 5.148 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 61 8.273 4.803 -1.441 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.863 3.131 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.709 2.635 -0.176 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.043 1.551 0.285 1.00 0.00 H new ATOM 870 N VAL A 62 9.754 3.404 -4.485 1.00 0.00 N ATOM 871 CA VAL A 62 10.452 4.071 -5.576 1.00 0.00 C ATOM 872 C VAL A 62 9.632 5.233 -6.125 1.00 0.00 C ATOM 873 O VAL A 62 8.550 5.037 -6.680 1.00 0.00 O ATOM 874 CB VAL A 62 10.765 3.092 -6.724 1.00 0.00 C ATOM 875 CG1 VAL A 62 11.490 3.807 -7.854 1.00 0.00 C ATOM 876 CG2 VAL A 62 11.586 1.918 -6.212 1.00 0.00 C ATOM 0 H VAL A 62 8.798 3.125 -4.705 1.00 0.00 H new ATOM 0 HA VAL A 62 11.388 4.452 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 62 9.824 2.706 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 62 11.702 3.099 -8.655 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.862 4.612 -8.237 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.425 4.223 -7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.798 1.236 -7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.523 2.285 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 62 11.025 1.391 -5.440 1.00 0.00 H new ATOM 886 N ASP A 63 10.154 6.444 -5.966 1.00 0.00 N ATOM 887 CA ASP A 63 9.470 7.640 -6.446 1.00 0.00 C ATOM 888 C ASP A 63 9.500 7.708 -7.970 1.00 0.00 C ATOM 889 O ASP A 63 10.536 7.472 -8.591 1.00 0.00 O ATOM 890 CB ASP A 63 10.116 8.895 -5.855 1.00 0.00 C ATOM 891 CG ASP A 63 9.484 10.171 -6.376 1.00 0.00 C ATOM 892 OD1 ASP A 63 8.265 10.354 -6.178 1.00 0.00 O ATOM 893 OD2 ASP A 63 10.210 10.987 -6.981 1.00 0.00 O ATOM 0 H ASP A 63 11.048 6.624 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 63 8.430 7.589 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.030 8.867 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.180 8.898 -6.090 1.00 0.00 H new ATOM 898 N ASN A 64 8.357 8.031 -8.565 1.00 0.00 N ATOM 899 CA ASN A 64 8.252 8.128 -10.017 1.00 0.00 C ATOM 900 C ASN A 64 8.898 9.413 -10.525 1.00 0.00 C ATOM 901 O ASN A 64 9.614 9.406 -11.526 1.00 0.00 O ATOM 902 CB ASN A 64 6.783 8.077 -10.447 1.00 0.00 C ATOM 903 CG ASN A 64 6.182 6.694 -10.289 1.00 0.00 C ATOM 904 OD1 ASN A 64 5.969 5.983 -11.271 1.00 0.00 O ATOM 905 ND2 ASN A 64 5.905 6.308 -9.049 1.00 0.00 N ATOM 0 H ASN A 64 7.490 8.230 -8.065 1.00 0.00 H new ATOM 0 HA ASN A 64 8.781 7.280 -10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 64 6.209 8.789 -9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.701 8.389 -11.488 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.498 5.388 -8.880 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.099 6.932 -8.265 1.00 0.00 H new ATOM 912 N GLY A 65 8.642 10.514 -9.825 1.00 0.00 N ATOM 913 CA GLY A 65 9.207 11.792 -10.220 1.00 0.00 C ATOM 914 C GLY A 65 8.147 12.789 -10.640 1.00 0.00 C ATOM 915 O GLY A 65 8.352 14.000 -10.548 1.00 0.00 O ATOM 0 H GLY A 65 8.054 10.544 -8.992 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.781 12.204 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.904 11.639 -11.044 1.00 0.00 H new ATOM 919 N ASP A 66 7.010 12.281 -11.104 1.00 0.00 N ATOM 920 CA ASP A 66 5.913 13.137 -11.542 1.00 0.00 C ATOM 921 C ASP A 66 5.029 13.534 -10.363 1.00 0.00 C ATOM 922 O ASP A 66 4.579 14.674 -10.268 1.00 0.00 O ATOM 923 CB ASP A 66 5.076 12.426 -12.606 1.00 0.00 C ATOM 924 CG ASP A 66 4.422 13.395 -13.572 1.00 0.00 C ATOM 925 OD1 ASP A 66 5.135 14.266 -14.112 1.00 0.00 O ATOM 926 OD2 ASP A 66 3.197 13.280 -13.788 1.00 0.00 O ATOM 0 H ASP A 66 6.824 11.281 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 66 6.341 14.042 -11.973 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.711 11.736 -13.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.306 11.828 -12.119 1.00 0.00 H new ATOM 931 N GLY A 67 4.786 12.582 -9.467 1.00 0.00 N ATOM 932 CA GLY A 67 3.957 12.851 -8.306 1.00 0.00 C ATOM 933 C GLY A 67 3.342 11.592 -7.729 1.00 0.00 C ATOM 934 O GLY A 67 2.218 11.615 -7.225 1.00 0.00 O ATOM 0 H GLY A 67 5.148 11.630 -9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.558 13.342 -7.540 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.164 13.545 -8.583 1.00 0.00 H new ATOM 938 N THR A 68 4.079 10.488 -7.801 1.00 0.00 N ATOM 939 CA THR A 68 3.599 9.213 -7.284 1.00 0.00 C ATOM 940 C THR A 68 4.758 8.329 -6.836 1.00 0.00 C ATOM 941 O THR A 68 5.924 8.701 -6.975 1.00 0.00 O ATOM 942 CB THR A 68 2.769 8.456 -8.337 1.00 0.00 C ATOM 943 OG1 THR A 68 3.597 8.095 -9.447 1.00 0.00 O ATOM 944 CG2 THR A 68 1.605 9.307 -8.823 1.00 0.00 C ATOM 0 H THR A 68 5.011 10.452 -8.213 1.00 0.00 H new ATOM 0 HA THR A 68 2.965 9.439 -6.426 1.00 0.00 H new ATOM 0 HB THR A 68 2.371 7.554 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.062 7.613 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.033 8.751 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.960 9.556 -7.981 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.987 10.224 -9.271 1.00 0.00 H new ATOM 952 N HIS A 69 4.432 7.158 -6.301 1.00 0.00 N ATOM 953 CA HIS A 69 5.447 6.221 -5.834 1.00 0.00 C ATOM 954 C HIS A 69 5.001 4.779 -6.062 1.00 0.00 C ATOM 955 O HIS A 69 3.879 4.403 -5.719 1.00 0.00 O ATOM 956 CB HIS A 69 5.738 6.448 -4.351 1.00 0.00 C ATOM 957 CG HIS A 69 6.122 7.858 -4.025 1.00 0.00 C ATOM 958 ND1 HIS A 69 7.415 8.238 -3.731 1.00 0.00 N ATOM 959 CD2 HIS A 69 5.374 8.985 -3.949 1.00 0.00 C ATOM 960 CE1 HIS A 69 7.446 9.536 -3.487 1.00 0.00 C ATOM 961 NE2 HIS A 69 6.220 10.013 -3.613 1.00 0.00 N ATOM 0 H HIS A 69 3.472 6.835 -6.180 1.00 0.00 H new ATOM 0 HA HIS A 69 6.358 6.396 -6.406 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.856 6.177 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.542 5.780 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.310 9.061 -4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.324 10.110 -3.229 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.947 10.987 -3.482 1.00 0.00 H new ATOM 970 N THR A 70 5.886 3.976 -6.644 1.00 0.00 N ATOM 971 CA THR A 70 5.584 2.577 -6.920 1.00 0.00 C ATOM 972 C THR A 70 6.000 1.685 -5.756 1.00 0.00 C ATOM 973 O THR A 70 7.072 1.862 -5.178 1.00 0.00 O ATOM 974 CB THR A 70 6.287 2.092 -8.201 1.00 0.00 C ATOM 975 OG1 THR A 70 5.778 2.799 -9.338 1.00 0.00 O ATOM 976 CG2 THR A 70 6.087 0.597 -8.396 1.00 0.00 C ATOM 0 H THR A 70 6.819 4.271 -6.934 1.00 0.00 H new ATOM 0 HA THR A 70 4.505 2.508 -7.059 1.00 0.00 H new ATOM 0 HB THR A 70 7.354 2.289 -8.099 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.232 2.486 -10.148 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.593 0.278 -9.307 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.503 0.060 -7.543 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.022 0.380 -8.477 1.00 0.00 H new ATOM 984 N VAL A 71 5.145 0.724 -5.418 1.00 0.00 N ATOM 985 CA VAL A 71 5.426 -0.197 -4.323 1.00 0.00 C ATOM 986 C VAL A 71 5.147 -1.638 -4.734 1.00 0.00 C ATOM 987 O VAL A 71 3.992 -2.055 -4.840 1.00 0.00 O ATOM 988 CB VAL A 71 4.588 0.141 -3.076 1.00 0.00 C ATOM 989 CG1 VAL A 71 4.981 -0.754 -1.910 1.00 0.00 C ATOM 990 CG2 VAL A 71 4.748 1.609 -2.709 1.00 0.00 C ATOM 0 H VAL A 71 4.253 0.563 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 71 6.483 -0.089 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 71 3.538 -0.041 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.378 -0.501 -1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.811 -1.797 -2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.036 -0.607 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.149 1.831 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.797 1.819 -2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.413 2.230 -3.540 1.00 0.00 H new ATOM 1000 N THR A 72 6.212 -2.399 -4.965 1.00 0.00 N ATOM 1001 CA THR A 72 6.083 -3.795 -5.364 1.00 0.00 C ATOM 1002 C THR A 72 6.255 -4.728 -4.171 1.00 0.00 C ATOM 1003 O THR A 72 7.080 -4.479 -3.291 1.00 0.00 O ATOM 1004 CB THR A 72 7.115 -4.168 -6.445 1.00 0.00 C ATOM 1005 OG1 THR A 72 8.443 -3.961 -5.948 1.00 0.00 O ATOM 1006 CG2 THR A 72 6.906 -3.339 -7.704 1.00 0.00 C ATOM 0 H THR A 72 7.174 -2.072 -4.883 1.00 0.00 H new ATOM 0 HA THR A 72 5.079 -3.914 -5.772 1.00 0.00 H new ATOM 0 HB THR A 72 6.980 -5.220 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.093 -4.202 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.647 -3.621 -8.452 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.906 -3.520 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 72 7.016 -2.281 -7.465 1.00 0.00 H new ATOM 1014 N TYR A 73 5.472 -5.800 -4.146 1.00 0.00 N ATOM 1015 CA TYR A 73 5.537 -6.769 -3.060 1.00 0.00 C ATOM 1016 C TYR A 73 5.013 -8.129 -3.510 1.00 0.00 C ATOM 1017 O TYR A 73 4.438 -8.260 -4.590 1.00 0.00 O ATOM 1018 CB TYR A 73 4.732 -6.273 -1.857 1.00 0.00 C ATOM 1019 CG TYR A 73 3.249 -6.547 -1.966 1.00 0.00 C ATOM 1020 CD1 TYR A 73 2.400 -5.644 -2.594 1.00 0.00 C ATOM 1021 CD2 TYR A 73 2.697 -7.708 -1.442 1.00 0.00 C ATOM 1022 CE1 TYR A 73 1.045 -5.890 -2.695 1.00 0.00 C ATOM 1023 CE2 TYR A 73 1.343 -7.964 -1.540 1.00 0.00 C ATOM 1024 CZ TYR A 73 0.521 -7.051 -2.168 1.00 0.00 C ATOM 1025 OH TYR A 73 -0.829 -7.301 -2.267 1.00 0.00 O ATOM 0 H TYR A 73 4.784 -6.020 -4.866 1.00 0.00 H new ATOM 0 HA TYR A 73 6.582 -6.881 -2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.115 -6.747 -0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.887 -5.200 -1.744 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.807 -4.734 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.338 -8.424 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.399 -5.176 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.931 -8.873 -1.128 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.279 -6.520 -2.651 1.00 0.00 H new ATOM 1035 N THR A 74 5.216 -9.141 -2.672 1.00 0.00 N ATOM 1036 CA THR A 74 4.766 -10.492 -2.981 1.00 0.00 C ATOM 1037 C THR A 74 4.329 -11.230 -1.721 1.00 0.00 C ATOM 1038 O THR A 74 5.141 -11.575 -0.862 1.00 0.00 O ATOM 1039 CB THR A 74 5.870 -11.306 -3.682 1.00 0.00 C ATOM 1040 OG1 THR A 74 6.410 -10.559 -4.778 1.00 0.00 O ATOM 1041 CG2 THR A 74 5.327 -12.634 -4.185 1.00 0.00 C ATOM 0 H THR A 74 5.690 -9.050 -1.773 1.00 0.00 H new ATOM 0 HA THR A 74 3.914 -10.393 -3.654 1.00 0.00 H new ATOM 0 HB THR A 74 6.659 -11.506 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.112 -11.083 -5.217 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.125 -13.191 -4.676 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.945 -13.213 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.521 -12.452 -4.896 1.00 0.00 H new ATOM 1049 N PRO A 75 3.016 -11.478 -1.604 1.00 0.00 N ATOM 1050 CA PRO A 75 2.443 -12.178 -0.451 1.00 0.00 C ATOM 1051 C PRO A 75 2.824 -13.653 -0.420 1.00 0.00 C ATOM 1052 O PRO A 75 2.169 -14.487 -1.045 1.00 0.00 O ATOM 1053 CB PRO A 75 0.933 -12.020 -0.655 1.00 0.00 C ATOM 1054 CG PRO A 75 0.768 -11.834 -2.124 1.00 0.00 C ATOM 1055 CD PRO A 75 1.991 -11.095 -2.590 1.00 0.00 C ATOM 0 HA PRO A 75 2.805 -11.771 0.493 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.392 -12.898 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.546 -11.165 -0.101 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.676 -12.795 -2.631 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.137 -11.269 -2.346 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.276 -11.387 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.829 -10.017 -2.603 1.00 0.00 H new ATOM 1063 N SER A 76 3.888 -13.970 0.311 1.00 0.00 N ATOM 1064 CA SER A 76 4.359 -15.346 0.420 1.00 0.00 C ATOM 1065 C SER A 76 3.185 -16.315 0.520 1.00 0.00 C ATOM 1066 O SER A 76 3.293 -17.479 0.132 1.00 0.00 O ATOM 1067 CB SER A 76 5.268 -15.501 1.641 1.00 0.00 C ATOM 1068 OG SER A 76 4.519 -15.452 2.844 1.00 0.00 O ATOM 0 H SER A 76 4.440 -13.293 0.837 1.00 0.00 H new ATOM 0 HA SER A 76 4.927 -15.582 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.804 -16.448 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.018 -14.710 1.643 1.00 0.00 H new ATOM 0 HG SER A 76 5.122 -15.555 3.609 1.00 0.00 H new ATOM 1074 N GLN A 77 2.066 -15.827 1.043 1.00 0.00 N ATOM 1075 CA GLN A 77 0.871 -16.649 1.195 1.00 0.00 C ATOM 1076 C GLN A 77 -0.392 -15.810 1.039 1.00 0.00 C ATOM 1077 O GLN A 77 -0.324 -14.589 0.896 1.00 0.00 O ATOM 1078 CB GLN A 77 0.873 -17.341 2.559 1.00 0.00 C ATOM 1079 CG GLN A 77 0.562 -16.405 3.717 1.00 0.00 C ATOM 1080 CD GLN A 77 0.383 -17.140 5.030 1.00 0.00 C ATOM 1081 OE1 GLN A 77 0.829 -18.279 5.184 1.00 0.00 O ATOM 1082 NE2 GLN A 77 -0.271 -16.492 5.987 1.00 0.00 N ATOM 0 H GLN A 77 1.961 -14.866 1.369 1.00 0.00 H new ATOM 0 HA GLN A 77 0.880 -17.406 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.141 -18.148 2.549 1.00 0.00 H new ATOM 0 HB3 GLN A 77 1.849 -17.798 2.724 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.368 -15.679 3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.345 -15.844 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.623 -15.550 5.816 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.421 -16.936 6.893 1.00 0.00 H new ATOM 1091 N GLU A 78 -1.545 -16.473 1.066 1.00 0.00 N ATOM 1092 CA GLU A 78 -2.823 -15.786 0.926 1.00 0.00 C ATOM 1093 C GLU A 78 -3.423 -15.468 2.293 1.00 0.00 C ATOM 1094 O GLU A 78 -2.903 -15.891 3.324 1.00 0.00 O ATOM 1095 CB GLU A 78 -3.799 -16.640 0.114 1.00 0.00 C ATOM 1096 CG GLU A 78 -4.125 -17.975 0.762 1.00 0.00 C ATOM 1097 CD GLU A 78 -3.098 -19.044 0.443 1.00 0.00 C ATOM 1098 OE1 GLU A 78 -3.081 -19.523 -0.710 1.00 0.00 O ATOM 1099 OE2 GLU A 78 -2.312 -19.401 1.345 1.00 0.00 O ATOM 0 H GLU A 78 -1.619 -17.483 1.183 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.647 -14.848 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.723 -16.081 -0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.376 -16.819 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.185 -17.845 1.843 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.107 -18.308 0.426 1.00 0.00 H new ATOM 1106 N GLY A 79 -4.522 -14.719 2.291 1.00 0.00 N ATOM 1107 CA GLY A 79 -5.174 -14.356 3.535 1.00 0.00 C ATOM 1108 C GLY A 79 -5.407 -12.863 3.655 1.00 0.00 C ATOM 1109 O GLY A 79 -4.980 -12.077 2.808 1.00 0.00 O ATOM 0 H GLY A 79 -4.972 -14.358 1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.129 -14.876 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.564 -14.694 4.373 1.00 0.00 H new ATOM 1113 N PRO A 80 -6.102 -12.452 4.725 1.00 0.00 N ATOM 1114 CA PRO A 80 -6.408 -11.041 4.976 1.00 0.00 C ATOM 1115 C PRO A 80 -5.169 -10.236 5.349 1.00 0.00 C ATOM 1116 O PRO A 80 -4.906 -9.993 6.528 1.00 0.00 O ATOM 1117 CB PRO A 80 -7.386 -11.093 6.152 1.00 0.00 C ATOM 1118 CG PRO A 80 -7.074 -12.373 6.847 1.00 0.00 C ATOM 1119 CD PRO A 80 -6.642 -13.334 5.773 1.00 0.00 C ATOM 0 HA PRO A 80 -6.810 -10.548 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.252 -10.239 6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.420 -11.071 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.285 -12.233 7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -7.947 -12.750 7.380 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.889 -14.033 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -7.478 -13.929 5.406 1.00 0.00 H new ATOM 1127 N TYR A 81 -4.409 -9.825 4.340 1.00 0.00 N ATOM 1128 CA TYR A 81 -3.195 -9.049 4.564 1.00 0.00 C ATOM 1129 C TYR A 81 -3.525 -7.578 4.802 1.00 0.00 C ATOM 1130 O TYR A 81 -4.487 -7.049 4.247 1.00 0.00 O ATOM 1131 CB TYR A 81 -2.251 -9.184 3.368 1.00 0.00 C ATOM 1132 CG TYR A 81 -1.265 -10.323 3.501 1.00 0.00 C ATOM 1133 CD1 TYR A 81 -1.698 -11.613 3.783 1.00 0.00 C ATOM 1134 CD2 TYR A 81 0.098 -10.109 3.346 1.00 0.00 C ATOM 1135 CE1 TYR A 81 -0.802 -12.656 3.906 1.00 0.00 C ATOM 1136 CE2 TYR A 81 1.002 -11.147 3.466 1.00 0.00 C ATOM 1137 CZ TYR A 81 0.548 -12.418 3.746 1.00 0.00 C ATOM 1138 OH TYR A 81 1.445 -13.454 3.868 1.00 0.00 O ATOM 0 H TYR A 81 -4.612 -10.016 3.359 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.702 -9.441 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.842 -9.330 2.464 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.701 -8.251 3.243 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.754 -11.803 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.458 -9.114 3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -1.155 -13.652 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.059 -10.963 3.341 1.00 0.00 H new ATOM 0 HH TYR A 81 2.354 -13.118 3.726 1.00 0.00 H new ATOM 1148 N MET A 82 -2.718 -6.925 5.631 1.00 0.00 N ATOM 1149 CA MET A 82 -2.921 -5.514 5.942 1.00 0.00 C ATOM 1150 C MET A 82 -1.730 -4.679 5.483 1.00 0.00 C ATOM 1151 O MET A 82 -0.585 -4.973 5.826 1.00 0.00 O ATOM 1152 CB MET A 82 -3.142 -5.328 7.444 1.00 0.00 C ATOM 1153 CG MET A 82 -3.139 -3.873 7.883 1.00 0.00 C ATOM 1154 SD MET A 82 -1.475 -3.191 8.016 1.00 0.00 S ATOM 1155 CE MET A 82 -1.289 -3.095 9.794 1.00 0.00 C ATOM 0 H MET A 82 -1.918 -7.349 6.100 1.00 0.00 H new ATOM 0 HA MET A 82 -3.808 -5.173 5.407 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.094 -5.781 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.364 -5.864 7.987 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.714 -3.281 7.171 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.641 -3.787 8.847 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.418 -2.486 10.036 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.180 -2.643 10.229 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.155 -4.098 10.201 1.00 0.00 H new ATOM 1165 N VAL A 83 -2.008 -3.637 4.707 1.00 0.00 N ATOM 1166 CA VAL A 83 -0.959 -2.759 4.202 1.00 0.00 C ATOM 1167 C VAL A 83 -1.055 -1.372 4.828 1.00 0.00 C ATOM 1168 O VAL A 83 -1.807 -0.518 4.357 1.00 0.00 O ATOM 1169 CB VAL A 83 -1.029 -2.624 2.670 1.00 0.00 C ATOM 1170 CG1 VAL A 83 0.002 -1.620 2.174 1.00 0.00 C ATOM 1171 CG2 VAL A 83 -0.828 -3.978 2.007 1.00 0.00 C ATOM 0 H VAL A 83 -2.951 -3.380 4.414 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.007 -3.214 4.476 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.019 -2.256 2.400 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.063 -1.538 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.193 -0.646 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.001 -1.956 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.880 -3.864 0.924 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.148 -4.377 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.607 -4.664 2.338 1.00 0.00 H new ATOM 1181 N SER A 84 -0.289 -1.153 5.892 1.00 0.00 N ATOM 1182 CA SER A 84 -0.291 0.130 6.585 1.00 0.00 C ATOM 1183 C SER A 84 0.494 1.174 5.796 1.00 0.00 C ATOM 1184 O SER A 84 1.547 0.879 5.231 1.00 0.00 O ATOM 1185 CB SER A 84 0.306 -0.022 7.986 1.00 0.00 C ATOM 1186 OG SER A 84 0.678 1.236 8.521 1.00 0.00 O ATOM 0 H SER A 84 0.341 -1.848 6.293 1.00 0.00 H new ATOM 0 HA SER A 84 -1.324 0.466 6.673 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.420 -0.500 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.178 -0.675 7.944 1.00 0.00 H new ATOM 0 HG SER A 84 1.055 1.112 9.417 1.00 0.00 H new ATOM 1192 N VAL A 85 -0.027 2.396 5.765 1.00 0.00 N ATOM 1193 CA VAL A 85 0.624 3.486 5.047 1.00 0.00 C ATOM 1194 C VAL A 85 0.561 4.784 5.843 1.00 0.00 C ATOM 1195 O VAL A 85 -0.505 5.188 6.310 1.00 0.00 O ATOM 1196 CB VAL A 85 -0.020 3.712 3.666 1.00 0.00 C ATOM 1197 CG1 VAL A 85 0.669 4.855 2.936 1.00 0.00 C ATOM 1198 CG2 VAL A 85 0.028 2.436 2.840 1.00 0.00 C ATOM 0 H VAL A 85 -0.898 2.656 6.228 1.00 0.00 H new ATOM 0 HA VAL A 85 1.666 3.197 4.911 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.065 3.983 3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.201 5.000 1.963 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.577 5.769 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.724 4.616 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.431 2.614 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.065 2.131 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.516 1.646 3.359 1.00 0.00 H new ATOM 1208 N LYS A 86 1.708 5.434 5.996 1.00 0.00 N ATOM 1209 CA LYS A 86 1.785 6.690 6.736 1.00 0.00 C ATOM 1210 C LYS A 86 2.335 7.806 5.855 1.00 0.00 C ATOM 1211 O LYS A 86 2.810 7.560 4.746 1.00 0.00 O ATOM 1212 CB LYS A 86 2.667 6.521 7.975 1.00 0.00 C ATOM 1213 CG LYS A 86 2.253 7.403 9.140 1.00 0.00 C ATOM 1214 CD LYS A 86 3.003 7.039 10.410 1.00 0.00 C ATOM 1215 CE LYS A 86 2.323 7.611 11.644 1.00 0.00 C ATOM 1216 NZ LYS A 86 2.952 7.122 12.901 1.00 0.00 N ATOM 0 H LYS A 86 2.599 5.113 5.618 1.00 0.00 H new ATOM 0 HA LYS A 86 0.777 6.962 7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.639 5.478 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.700 6.746 7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.442 8.447 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.181 7.304 9.309 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.066 5.954 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.025 7.414 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.371 8.699 11.613 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.268 7.338 11.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.460 7.535 13.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.884 6.085 12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.953 7.404 12.921 1.00 0.00 H new ATOM 1230 N TYR A 87 2.269 9.036 6.356 1.00 0.00 N ATOM 1231 CA TYR A 87 2.760 10.190 5.614 1.00 0.00 C ATOM 1232 C TYR A 87 3.096 11.341 6.558 1.00 0.00 C ATOM 1233 O TYR A 87 2.205 11.983 7.114 1.00 0.00 O ATOM 1234 CB TYR A 87 1.719 10.644 4.589 1.00 0.00 C ATOM 1235 CG TYR A 87 2.311 11.386 3.412 1.00 0.00 C ATOM 1236 CD1 TYR A 87 2.999 10.705 2.413 1.00 0.00 C ATOM 1237 CD2 TYR A 87 2.185 12.764 3.297 1.00 0.00 C ATOM 1238 CE1 TYR A 87 3.542 11.378 1.336 1.00 0.00 C ATOM 1239 CE2 TYR A 87 2.724 13.444 2.224 1.00 0.00 C ATOM 1240 CZ TYR A 87 3.401 12.747 1.245 1.00 0.00 C ATOM 1241 OH TYR A 87 3.941 13.421 0.173 1.00 0.00 O ATOM 0 H TYR A 87 1.880 9.258 7.273 1.00 0.00 H new ATOM 0 HA TYR A 87 3.670 9.894 5.092 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.178 9.772 4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.991 11.287 5.084 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.110 9.633 2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 87 1.656 13.314 4.061 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.074 10.835 0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 87 2.616 14.516 2.151 1.00 0.00 H new ATOM 0 HH TYR A 87 4.886 13.612 0.349 1.00 0.00 H new ATOM 1251 N ALA A 88 4.389 11.596 6.731 1.00 0.00 N ATOM 1252 CA ALA A 88 4.844 12.671 7.605 1.00 0.00 C ATOM 1253 C ALA A 88 4.455 12.402 9.055 1.00 0.00 C ATOM 1254 O ALA A 88 4.025 13.307 9.770 1.00 0.00 O ATOM 1255 CB ALA A 88 4.275 14.004 7.143 1.00 0.00 C ATOM 0 H ALA A 88 5.139 11.074 6.278 1.00 0.00 H new ATOM 0 HA ALA A 88 5.932 12.714 7.550 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.623 14.797 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.608 14.208 6.125 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.186 13.963 7.167 1.00 0.00 H new ATOM 1261 N ASP A 89 4.608 11.153 9.481 1.00 0.00 N ATOM 1262 CA ASP A 89 4.273 10.765 10.847 1.00 0.00 C ATOM 1263 C ASP A 89 2.784 10.953 11.116 1.00 0.00 C ATOM 1264 O ASP A 89 2.385 11.330 12.216 1.00 0.00 O ATOM 1265 CB ASP A 89 5.092 11.583 11.847 1.00 0.00 C ATOM 1266 CG ASP A 89 6.552 11.180 11.869 1.00 0.00 C ATOM 1267 OD1 ASP A 89 6.835 9.993 12.136 1.00 0.00 O ATOM 1268 OD2 ASP A 89 7.413 12.049 11.619 1.00 0.00 O ATOM 0 H ASP A 89 4.962 10.392 8.901 1.00 0.00 H new ATOM 0 HA ASP A 89 4.515 9.709 10.968 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.014 12.641 11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.670 11.460 12.844 1.00 0.00 H new ATOM 1273 N GLU A 90 1.967 10.688 10.101 1.00 0.00 N ATOM 1274 CA GLU A 90 0.522 10.830 10.227 1.00 0.00 C ATOM 1275 C GLU A 90 -0.204 9.780 9.390 1.00 0.00 C ATOM 1276 O GLU A 90 -0.269 9.885 8.166 1.00 0.00 O ATOM 1277 CB GLU A 90 0.084 12.232 9.797 1.00 0.00 C ATOM 1278 CG GLU A 90 0.591 13.335 10.711 1.00 0.00 C ATOM 1279 CD GLU A 90 -0.224 14.609 10.596 1.00 0.00 C ATOM 1280 OE1 GLU A 90 -1.429 14.575 10.926 1.00 0.00 O ATOM 1281 OE2 GLU A 90 0.342 15.639 10.175 1.00 0.00 O ATOM 0 H GLU A 90 2.282 10.374 9.183 1.00 0.00 H new ATOM 0 HA GLU A 90 0.259 10.680 11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.439 12.420 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -1.005 12.270 9.765 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.568 12.986 11.743 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.632 13.551 10.471 1.00 0.00 H new ATOM 1288 N GLU A 91 -0.746 8.769 10.061 1.00 0.00 N ATOM 1289 CA GLU A 91 -1.465 7.699 9.379 1.00 0.00 C ATOM 1290 C GLU A 91 -2.564 8.266 8.486 1.00 0.00 C ATOM 1291 O GLU A 91 -3.503 8.902 8.967 1.00 0.00 O ATOM 1292 CB GLU A 91 -2.069 6.730 10.398 1.00 0.00 C ATOM 1293 CG GLU A 91 -1.181 5.536 10.703 1.00 0.00 C ATOM 1294 CD GLU A 91 -1.432 4.960 12.083 1.00 0.00 C ATOM 1295 OE1 GLU A 91 -1.120 5.646 13.079 1.00 0.00 O ATOM 1296 OE2 GLU A 91 -1.940 3.821 12.167 1.00 0.00 O ATOM 0 H GLU A 91 -0.701 8.668 11.075 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.754 7.160 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.270 7.269 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.028 6.372 10.023 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.349 4.762 9.954 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.136 5.835 10.623 1.00 0.00 H new ATOM 1303 N ILE A 92 -2.441 8.031 7.184 1.00 0.00 N ATOM 1304 CA ILE A 92 -3.424 8.518 6.224 1.00 0.00 C ATOM 1305 C ILE A 92 -4.826 8.036 6.581 1.00 0.00 C ATOM 1306 O ILE A 92 -5.010 6.998 7.217 1.00 0.00 O ATOM 1307 CB ILE A 92 -3.085 8.061 4.792 1.00 0.00 C ATOM 1308 CG1 ILE A 92 -3.126 6.535 4.697 1.00 0.00 C ATOM 1309 CG2 ILE A 92 -1.720 8.587 4.377 1.00 0.00 C ATOM 1310 CD1 ILE A 92 -3.135 6.018 3.275 1.00 0.00 C ATOM 0 H ILE A 92 -1.671 7.506 6.770 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.395 9.607 6.266 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.832 8.468 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.262 6.123 5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.014 6.171 5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -1.495 8.256 3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.724 9.676 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.960 8.207 5.060 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.165 4.928 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.013 6.400 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.234 6.352 2.761 1.00 0.00 H new ATOM 1322 N PRO A 93 -5.840 8.805 6.160 1.00 0.00 N ATOM 1323 CA PRO A 93 -7.245 8.477 6.421 1.00 0.00 C ATOM 1324 C PRO A 93 -7.713 7.259 5.632 1.00 0.00 C ATOM 1325 O PRO A 93 -8.895 6.916 5.645 1.00 0.00 O ATOM 1326 CB PRO A 93 -7.994 9.731 5.964 1.00 0.00 C ATOM 1327 CG PRO A 93 -7.100 10.359 4.952 1.00 0.00 C ATOM 1328 CD PRO A 93 -5.695 10.056 5.396 1.00 0.00 C ATOM 0 HA PRO A 93 -7.415 8.220 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.963 9.478 5.534 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.182 10.406 6.799 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.291 9.955 3.958 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.268 11.434 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.023 9.932 4.547 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -5.287 10.858 6.011 1.00 0.00 H new ATOM 1336 N ARG A 94 -6.778 6.611 4.945 1.00 0.00 N ATOM 1337 CA ARG A 94 -7.094 5.431 4.150 1.00 0.00 C ATOM 1338 C ARG A 94 -6.297 4.221 4.628 1.00 0.00 C ATOM 1339 O ARG A 94 -6.348 3.152 4.021 1.00 0.00 O ATOM 1340 CB ARG A 94 -6.802 5.694 2.671 1.00 0.00 C ATOM 1341 CG ARG A 94 -7.799 6.632 2.011 1.00 0.00 C ATOM 1342 CD ARG A 94 -9.061 5.896 1.588 1.00 0.00 C ATOM 1343 NE ARG A 94 -8.925 5.294 0.264 1.00 0.00 N ATOM 1344 CZ ARG A 94 -9.667 4.277 -0.160 1.00 0.00 C ATOM 1345 NH1 ARG A 94 -10.591 3.750 0.632 1.00 0.00 N ATOM 1346 NH2 ARG A 94 -9.485 3.784 -1.378 1.00 0.00 N ATOM 0 H ARG A 94 -5.795 6.884 4.923 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.155 5.216 4.273 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -5.801 6.116 2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.800 4.745 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.059 7.434 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.339 7.099 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.290 5.119 2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.902 6.589 1.586 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.222 5.675 -0.369 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.734 4.126 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.159 2.969 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -8.775 4.186 -1.990 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.055 3.003 -1.703 1.00 0.00 H new ATOM 1360 N SER A 95 -5.562 4.399 5.722 1.00 0.00 N ATOM 1361 CA SER A 95 -4.751 3.323 6.279 1.00 0.00 C ATOM 1362 C SER A 95 -5.186 3.000 7.706 1.00 0.00 C ATOM 1363 O SER A 95 -5.722 3.843 8.425 1.00 0.00 O ATOM 1364 CB SER A 95 -3.270 3.709 6.261 1.00 0.00 C ATOM 1365 OG SER A 95 -2.574 3.111 7.340 1.00 0.00 O ATOM 0 H SER A 95 -5.512 5.277 6.239 1.00 0.00 H new ATOM 0 HA SER A 95 -4.895 2.436 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.821 3.398 5.318 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.173 4.793 6.318 1.00 0.00 H new ATOM 0 HG SER A 95 -1.932 3.752 7.710 1.00 0.00 H new ATOM 1371 N PRO A 96 -4.949 1.748 8.127 1.00 0.00 N ATOM 1372 CA PRO A 96 -4.311 0.735 7.280 1.00 0.00 C ATOM 1373 C PRO A 96 -5.213 0.286 6.136 1.00 0.00 C ATOM 1374 O PRO A 96 -6.384 0.660 6.071 1.00 0.00 O ATOM 1375 CB PRO A 96 -4.053 -0.423 8.245 1.00 0.00 C ATOM 1376 CG PRO A 96 -5.073 -0.257 9.319 1.00 0.00 C ATOM 1377 CD PRO A 96 -5.285 1.225 9.461 1.00 0.00 C ATOM 0 HA PRO A 96 -3.410 1.114 6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.158 -1.386 7.745 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.042 -0.383 8.650 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -6.003 -0.761 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.728 -0.694 10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.313 1.459 9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.643 1.650 10.233 1.00 0.00 H new ATOM 1385 N PHE A 97 -4.661 -0.522 5.236 1.00 0.00 N ATOM 1386 CA PHE A 97 -5.416 -1.023 4.093 1.00 0.00 C ATOM 1387 C PHE A 97 -5.678 -2.520 4.230 1.00 0.00 C ATOM 1388 O PHE A 97 -4.810 -3.277 4.662 1.00 0.00 O ATOM 1389 CB PHE A 97 -4.661 -0.742 2.793 1.00 0.00 C ATOM 1390 CG PHE A 97 -4.630 0.713 2.419 1.00 0.00 C ATOM 1391 CD1 PHE A 97 -3.725 1.575 3.018 1.00 0.00 C ATOM 1392 CD2 PHE A 97 -5.505 1.218 1.471 1.00 0.00 C ATOM 1393 CE1 PHE A 97 -3.696 2.915 2.676 1.00 0.00 C ATOM 1394 CE2 PHE A 97 -5.480 2.555 1.126 1.00 0.00 C ATOM 1395 CZ PHE A 97 -4.572 3.405 1.729 1.00 0.00 C ATOM 0 H PHE A 97 -3.694 -0.844 5.276 1.00 0.00 H new ATOM 0 HA PHE A 97 -6.375 -0.505 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.638 -1.106 2.891 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.124 -1.307 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.036 1.197 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.216 0.558 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.988 3.578 3.150 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.169 2.936 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.548 4.451 1.460 1.00 0.00 H new ATOM 1405 N LYS A 98 -6.882 -2.940 3.857 1.00 0.00 N ATOM 1406 CA LYS A 98 -7.262 -4.346 3.935 1.00 0.00 C ATOM 1407 C LYS A 98 -7.160 -5.014 2.568 1.00 0.00 C ATOM 1408 O LYS A 98 -7.983 -4.771 1.685 1.00 0.00 O ATOM 1409 CB LYS A 98 -8.686 -4.482 4.477 1.00 0.00 C ATOM 1410 CG LYS A 98 -8.807 -4.165 5.958 1.00 0.00 C ATOM 1411 CD LYS A 98 -10.258 -3.988 6.374 1.00 0.00 C ATOM 1412 CE LYS A 98 -10.422 -4.092 7.882 1.00 0.00 C ATOM 1413 NZ LYS A 98 -10.560 -5.507 8.328 1.00 0.00 N ATOM 0 H LYS A 98 -7.613 -2.326 3.497 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.572 -4.845 4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.344 -3.817 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.037 -5.499 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.356 -4.968 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.250 -3.256 6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.619 -3.018 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.872 -4.745 5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.561 -3.639 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.301 -3.526 8.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.670 -5.536 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.396 -5.933 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.711 -6.041 8.055 1.00 0.00 H new ATOM 1427 N VAL A 99 -6.147 -5.858 2.401 1.00 0.00 N ATOM 1428 CA VAL A 99 -5.939 -6.563 1.141 1.00 0.00 C ATOM 1429 C VAL A 99 -6.064 -8.071 1.329 1.00 0.00 C ATOM 1430 O VAL A 99 -5.140 -8.726 1.813 1.00 0.00 O ATOM 1431 CB VAL A 99 -4.558 -6.243 0.540 1.00 0.00 C ATOM 1432 CG1 VAL A 99 -4.349 -7.012 -0.756 1.00 0.00 C ATOM 1433 CG2 VAL A 99 -4.409 -4.748 0.312 1.00 0.00 C ATOM 0 H VAL A 99 -5.457 -6.070 3.122 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.713 -6.220 0.454 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.791 -6.556 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.368 -6.773 -1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.409 -8.082 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.120 -6.732 -1.474 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.427 -4.541 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.182 -4.406 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.511 -4.223 1.262 1.00 0.00 H new ATOM 1443 N LYS A 100 -7.212 -8.616 0.943 1.00 0.00 N ATOM 1444 CA LYS A 100 -7.459 -10.048 1.066 1.00 0.00 C ATOM 1445 C LYS A 100 -6.819 -10.812 -0.089 1.00 0.00 C ATOM 1446 O LYS A 100 -7.387 -10.903 -1.178 1.00 0.00 O ATOM 1447 CB LYS A 100 -8.963 -10.326 1.103 1.00 0.00 C ATOM 1448 CG LYS A 100 -9.309 -11.805 1.121 1.00 0.00 C ATOM 1449 CD LYS A 100 -10.796 -12.033 0.911 1.00 0.00 C ATOM 1450 CE LYS A 100 -11.110 -13.506 0.702 1.00 0.00 C ATOM 1451 NZ LYS A 100 -11.215 -14.239 1.994 1.00 0.00 N ATOM 0 H LYS A 100 -7.987 -8.088 0.542 1.00 0.00 H new ATOM 0 HA LYS A 100 -7.009 -10.390 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.390 -9.851 1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.431 -9.863 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.748 -12.320 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -9.004 -12.239 2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -11.348 -11.661 1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -11.134 -11.462 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -12.046 -13.603 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.331 -13.960 0.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -11.430 -15.240 1.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.314 -14.168 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.975 -13.822 2.569 1.00 0.00 H new ATOM 1465 N VAL A 101 -5.633 -11.363 0.156 1.00 0.00 N ATOM 1466 CA VAL A 101 -4.918 -12.121 -0.863 1.00 0.00 C ATOM 1467 C VAL A 101 -5.620 -13.441 -1.160 1.00 0.00 C ATOM 1468 O VAL A 101 -6.179 -14.076 -0.263 1.00 0.00 O ATOM 1469 CB VAL A 101 -3.467 -12.408 -0.433 1.00 0.00 C ATOM 1470 CG1 VAL A 101 -2.720 -13.146 -1.534 1.00 0.00 C ATOM 1471 CG2 VAL A 101 -2.754 -11.116 -0.066 1.00 0.00 C ATOM 0 H VAL A 101 -5.148 -11.298 1.051 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.907 -11.509 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.488 -13.047 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.697 -13.340 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.220 -14.092 -1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.707 -12.536 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.730 -11.338 0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.742 -10.449 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.278 -10.633 0.759 1.00 0.00 H new ATOM 1481 N LEU A 102 -5.587 -13.851 -2.423 1.00 0.00 N ATOM 1482 CA LEU A 102 -6.221 -15.098 -2.839 1.00 0.00 C ATOM 1483 C LEU A 102 -5.174 -16.147 -3.198 1.00 0.00 C ATOM 1484 O LEU A 102 -4.042 -15.829 -3.566 1.00 0.00 O ATOM 1485 CB LEU A 102 -7.144 -14.851 -4.034 1.00 0.00 C ATOM 1486 CG LEU A 102 -8.440 -14.097 -3.736 1.00 0.00 C ATOM 1487 CD1 LEU A 102 -9.028 -13.522 -5.014 1.00 0.00 C ATOM 1488 CD2 LEU A 102 -9.443 -15.011 -3.048 1.00 0.00 C ATOM 0 H LEU A 102 -5.128 -13.339 -3.177 1.00 0.00 H new ATOM 0 HA LEU A 102 -6.812 -15.473 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.588 -14.294 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.401 -15.814 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.211 -13.271 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.950 -12.989 -4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.314 -12.833 -5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.242 -14.331 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -10.359 -14.457 -2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.668 -15.858 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.021 -15.374 -2.110 1.00 0.00 H new ATOM 1500 N PRO A 103 -5.557 -17.428 -3.094 1.00 0.00 N ATOM 1501 CA PRO A 103 -4.667 -18.549 -3.407 1.00 0.00 C ATOM 1502 C PRO A 103 -4.374 -18.658 -4.899 1.00 0.00 C ATOM 1503 O PRO A 103 -5.288 -18.769 -5.717 1.00 0.00 O ATOM 1504 CB PRO A 103 -5.455 -19.772 -2.928 1.00 0.00 C ATOM 1505 CG PRO A 103 -6.882 -19.349 -2.983 1.00 0.00 C ATOM 1506 CD PRO A 103 -6.891 -17.879 -2.663 1.00 0.00 C ATOM 0 HA PRO A 103 -3.692 -18.439 -2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -5.273 -20.635 -3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.166 -20.058 -1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -7.307 -19.536 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.483 -19.908 -2.266 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -7.684 -17.356 -3.198 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -7.052 -17.700 -1.600 1.00 0.00 H new ATOM 1514 N THR A 104 -3.091 -18.624 -5.249 1.00 0.00 N ATOM 1515 CA THR A 104 -2.677 -18.718 -6.644 1.00 0.00 C ATOM 1516 C THR A 104 -3.612 -19.624 -7.436 1.00 0.00 C ATOM 1517 O THR A 104 -3.881 -19.378 -8.613 1.00 0.00 O ATOM 1518 CB THR A 104 -1.237 -19.251 -6.767 1.00 0.00 C ATOM 1519 OG1 THR A 104 -0.328 -18.365 -6.106 1.00 0.00 O ATOM 1520 CG2 THR A 104 -0.838 -19.398 -8.228 1.00 0.00 C ATOM 0 H THR A 104 -2.322 -18.532 -4.586 1.00 0.00 H new ATOM 0 HA THR A 104 -2.720 -17.709 -7.055 1.00 0.00 H new ATOM 0 HB THR A 104 -1.195 -20.232 -6.294 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.566 -17.437 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.183 -19.776 -8.290 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.514 -20.096 -8.721 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.896 -18.427 -8.721 1.00 0.00 H new ATOM 1528 N TYR A 105 -4.108 -20.669 -6.784 1.00 0.00 N ATOM 1529 CA TYR A 105 -5.014 -21.614 -7.428 1.00 0.00 C ATOM 1530 C TYR A 105 -6.447 -21.408 -6.948 1.00 0.00 C ATOM 1531 O TYR A 105 -6.681 -20.828 -5.888 1.00 0.00 O ATOM 1532 CB TYR A 105 -4.570 -23.050 -7.148 1.00 0.00 C ATOM 1533 CG TYR A 105 -3.092 -23.282 -7.366 1.00 0.00 C ATOM 1534 CD1 TYR A 105 -2.178 -23.071 -6.341 1.00 0.00 C ATOM 1535 CD2 TYR A 105 -2.610 -23.710 -8.596 1.00 0.00 C ATOM 1536 CE1 TYR A 105 -0.826 -23.281 -6.536 1.00 0.00 C ATOM 1537 CE2 TYR A 105 -1.260 -23.924 -8.799 1.00 0.00 C ATOM 1538 CZ TYR A 105 -0.372 -23.707 -7.767 1.00 0.00 C ATOM 1539 OH TYR A 105 0.973 -23.918 -7.966 1.00 0.00 O ATOM 0 H TYR A 105 -3.898 -20.884 -5.809 1.00 0.00 H new ATOM 0 HA TYR A 105 -4.982 -21.435 -8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.821 -23.304 -6.118 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -5.134 -23.727 -7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.530 -22.737 -5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.302 -23.878 -9.408 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -0.129 -23.112 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -0.902 -24.260 -9.761 1.00 0.00 H new ATOM 0 HH TYR A 105 1.124 -24.217 -8.887 1.00 0.00 H new