USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 643 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 68 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-4.9!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= -0.0863 (180deg=-0.0863) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 24:sc= 0.753 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0359 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -160:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.771 K(o=-0.77,f=-1.5!) USER MOD Single : A 67 THR OG1 : rot -24:sc= 0.139 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 72 TYR OH : rot 170:sc= 1.07 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 169:sc= -5.65! (180deg=-6.83!) USER MOD Single : A 80 TYR OH : rot -24:sc= 0.867 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -105:sc= -6.42! (180deg=-8.81!) USER MOD Single : A 85 LYS NZ :NH3+ 155:sc= -0.332 (180deg=-1.4) USER MOD Single : A 93 HIS : no HE2:sc= -5.32! C(o=-5.3!,f=-5.4!) USER MOD Single : A 99 LYS NZ :NH3+ -110:sc= -0.722 (180deg=-2.84!) USER MOD ----------------------------------------------------------------- ATOM 80 N PHE A 9 12.032 16.489 5.711 1.00 0.00 N ATOM 81 CA PHE A 9 11.364 15.204 5.543 1.00 0.00 C ATOM 82 C PHE A 9 9.995 15.210 6.217 1.00 0.00 C ATOM 83 O PHE A 9 9.823 15.784 7.292 1.00 0.00 O ATOM 84 CB PHE A 9 12.224 14.078 6.120 1.00 0.00 C ATOM 85 CG PHE A 9 11.427 12.894 6.587 1.00 0.00 C ATOM 86 CD1 PHE A 9 10.827 12.895 7.836 1.00 0.00 C ATOM 87 CD2 PHE A 9 11.277 11.780 5.777 1.00 0.00 C ATOM 88 CE1 PHE A 9 10.094 11.806 8.268 1.00 0.00 C ATOM 89 CE2 PHE A 9 10.544 10.688 6.204 1.00 0.00 C ATOM 90 CZ PHE A 9 9.951 10.702 7.451 1.00 0.00 C ATOM 0 HA PHE A 9 11.223 15.033 4.476 1.00 0.00 H new ATOM 0 HB2 PHE A 9 12.936 13.751 5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.805 14.467 6.956 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.933 13.756 8.479 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.738 11.764 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 9 9.633 11.818 9.245 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.435 9.825 5.563 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.377 9.851 7.787 1.00 0.00 H new ATOM 100 N ASP A 10 9.024 14.569 5.576 1.00 0.00 N ATOM 101 CA ASP A 10 7.670 14.499 6.112 1.00 0.00 C ATOM 102 C ASP A 10 6.848 13.443 5.379 1.00 0.00 C ATOM 103 O ASP A 10 6.610 13.534 4.175 1.00 0.00 O ATOM 104 CB ASP A 10 6.985 15.862 6.004 1.00 0.00 C ATOM 105 CG ASP A 10 5.958 16.083 7.098 1.00 0.00 C ATOM 106 OD1 ASP A 10 6.349 16.093 8.284 1.00 0.00 O ATOM 107 OD2 ASP A 10 4.765 16.245 6.768 1.00 0.00 O ATOM 0 H ASP A 10 9.150 14.090 4.684 1.00 0.00 H new ATOM 0 HA ASP A 10 7.736 14.216 7.163 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.738 16.649 6.053 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.499 15.945 5.032 1.00 0.00 H new ATOM 112 N PRO A 11 6.405 12.417 6.121 1.00 0.00 N ATOM 113 CA PRO A 11 5.604 11.324 5.562 1.00 0.00 C ATOM 114 C PRO A 11 4.201 11.775 5.171 1.00 0.00 C ATOM 115 O PRO A 11 3.615 11.258 4.220 1.00 0.00 O ATOM 116 CB PRO A 11 5.541 10.310 6.706 1.00 0.00 C ATOM 117 CG PRO A 11 5.729 11.120 7.942 1.00 0.00 C ATOM 118 CD PRO A 11 6.652 12.245 7.562 1.00 0.00 C ATOM 0 HA PRO A 11 6.040 10.926 4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.585 9.786 6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.319 9.553 6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 11 4.776 11.503 8.306 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.157 10.517 8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.428 13.154 8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.694 11.996 7.764 1.00 0.00 H new ATOM 126 N SER A 12 3.668 12.742 5.910 1.00 0.00 N ATOM 127 CA SER A 12 2.331 13.261 5.642 1.00 0.00 C ATOM 128 C SER A 12 2.270 13.921 4.268 1.00 0.00 C ATOM 129 O SER A 12 1.211 13.983 3.643 1.00 0.00 O ATOM 130 CB SER A 12 1.925 14.265 6.722 1.00 0.00 C ATOM 131 OG SER A 12 0.578 14.674 6.558 1.00 0.00 O ATOM 0 H SER A 12 4.141 13.182 6.699 1.00 0.00 H new ATOM 0 HA SER A 12 1.633 12.424 5.654 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.055 13.817 7.707 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.580 15.135 6.679 1.00 0.00 H new ATOM 0 HG SER A 12 0.343 15.314 7.262 1.00 0.00 H new ATOM 137 N LYS A 13 3.413 14.413 3.804 1.00 0.00 N ATOM 138 CA LYS A 13 3.492 15.068 2.503 1.00 0.00 C ATOM 139 C LYS A 13 3.348 14.053 1.373 1.00 0.00 C ATOM 140 O LYS A 13 3.055 14.416 0.234 1.00 0.00 O ATOM 141 CB LYS A 13 4.821 15.815 2.366 1.00 0.00 C ATOM 142 CG LYS A 13 5.016 16.905 3.406 1.00 0.00 C ATOM 143 CD LYS A 13 4.202 18.145 3.073 1.00 0.00 C ATOM 144 CE LYS A 13 3.824 18.917 4.328 1.00 0.00 C ATOM 145 NZ LYS A 13 2.675 19.834 4.090 1.00 0.00 N ATOM 0 H LYS A 13 4.298 14.371 4.309 1.00 0.00 H new ATOM 0 HA LYS A 13 2.671 15.782 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.640 15.100 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.878 16.258 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.724 16.530 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.072 17.167 3.466 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.775 18.790 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.298 17.855 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.570 18.216 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.683 19.493 4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.448 20.342 4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.926 20.519 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.848 19.282 3.786 1.00 0.00 H new ATOM 159 N VAL A 14 3.555 12.781 1.697 1.00 0.00 N ATOM 160 CA VAL A 14 3.446 11.714 0.709 1.00 0.00 C ATOM 161 C VAL A 14 1.991 11.462 0.331 1.00 0.00 C ATOM 162 O VAL A 14 1.105 11.472 1.187 1.00 0.00 O ATOM 163 CB VAL A 14 4.064 10.402 1.229 1.00 0.00 C ATOM 164 CG1 VAL A 14 4.058 9.340 0.141 1.00 0.00 C ATOM 165 CG2 VAL A 14 5.476 10.645 1.741 1.00 0.00 C ATOM 0 H VAL A 14 3.799 12.464 2.635 1.00 0.00 H new ATOM 0 HA VAL A 14 3.996 12.042 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 14 3.458 10.040 2.059 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.498 8.421 0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.032 9.147 -0.173 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.639 9.690 -0.712 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.898 9.708 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.095 11.031 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.448 11.370 2.554 1.00 0.00 H new ATOM 175 N VAL A 15 1.750 11.234 -0.956 1.00 0.00 N ATOM 176 CA VAL A 15 0.402 10.978 -1.448 1.00 0.00 C ATOM 177 C VAL A 15 0.309 9.606 -2.107 1.00 0.00 C ATOM 178 O VAL A 15 1.077 9.289 -3.015 1.00 0.00 O ATOM 179 CB VAL A 15 -0.040 12.052 -2.460 1.00 0.00 C ATOM 180 CG1 VAL A 15 -1.421 11.730 -3.011 1.00 0.00 C ATOM 181 CG2 VAL A 15 -0.023 13.429 -1.815 1.00 0.00 C ATOM 0 H VAL A 15 2.471 11.221 -1.677 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.261 11.009 -0.584 1.00 0.00 H new ATOM 0 HB VAL A 15 0.665 12.056 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.717 12.499 -3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.397 10.762 -3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.141 11.698 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.338 14.176 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.705 13.441 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.986 13.658 -1.473 1.00 0.00 H new ATOM 191 N ALA A 16 -0.637 8.795 -1.643 1.00 0.00 N ATOM 192 CA ALA A 16 -0.832 7.458 -2.189 1.00 0.00 C ATOM 193 C ALA A 16 -2.227 7.306 -2.785 1.00 0.00 C ATOM 194 O ALA A 16 -3.228 7.591 -2.126 1.00 0.00 O ATOM 195 CB ALA A 16 -0.598 6.409 -1.112 1.00 0.00 C ATOM 0 H ALA A 16 -1.280 9.041 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.106 7.310 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.747 5.415 -1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.422 6.495 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.301 6.565 -0.293 1.00 0.00 H new ATOM 201 N SER A 17 -2.287 6.857 -4.034 1.00 0.00 N ATOM 202 CA SER A 17 -3.561 6.672 -4.720 1.00 0.00 C ATOM 203 C SER A 17 -3.477 5.523 -5.720 1.00 0.00 C ATOM 204 O SER A 17 -2.394 5.020 -6.016 1.00 0.00 O ATOM 205 CB SER A 17 -3.969 7.959 -5.438 1.00 0.00 C ATOM 206 OG SER A 17 -4.360 8.958 -4.512 1.00 0.00 O ATOM 0 H SER A 17 -1.468 6.614 -4.592 1.00 0.00 H new ATOM 0 HA SER A 17 -4.316 6.426 -3.973 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.136 8.323 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.791 7.752 -6.123 1.00 0.00 H new ATOM 0 HG SER A 17 -4.614 9.771 -4.996 1.00 0.00 H new ATOM 212 N GLY A 18 -4.631 5.111 -6.237 1.00 0.00 N ATOM 213 CA GLY A 18 -4.668 4.024 -7.198 1.00 0.00 C ATOM 214 C GLY A 18 -5.808 3.059 -6.938 1.00 0.00 C ATOM 215 O GLY A 18 -6.477 3.118 -5.906 1.00 0.00 O ATOM 0 H GLY A 18 -5.541 5.511 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.766 4.435 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.723 3.482 -7.166 1.00 0.00 H new ATOM 219 N PRO A 19 -6.044 2.146 -7.892 1.00 0.00 N ATOM 220 CA PRO A 19 -7.111 1.147 -7.784 1.00 0.00 C ATOM 221 C PRO A 19 -6.820 0.099 -6.715 1.00 0.00 C ATOM 222 O PRO A 19 -7.735 -0.443 -6.098 1.00 0.00 O ATOM 223 CB PRO A 19 -7.135 0.502 -9.173 1.00 0.00 C ATOM 224 CG PRO A 19 -5.759 0.704 -9.707 1.00 0.00 C ATOM 225 CD PRO A 19 -5.286 2.017 -9.148 1.00 0.00 C ATOM 0 HA PRO A 19 -8.060 1.595 -7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.385 -0.557 -9.114 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.882 0.970 -9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.100 -0.109 -9.404 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.762 0.722 -10.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.211 2.014 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.494 2.842 -9.829 1.00 0.00 H new ATOM 233 N GLY A 20 -5.538 -0.180 -6.501 1.00 0.00 N ATOM 234 CA GLY A 20 -5.149 -1.162 -5.505 1.00 0.00 C ATOM 235 C GLY A 20 -5.617 -0.791 -4.112 1.00 0.00 C ATOM 236 O GLY A 20 -5.955 -1.663 -3.310 1.00 0.00 O ATOM 0 H GLY A 20 -4.762 0.256 -6.999 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.561 -2.134 -5.777 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.064 -1.265 -5.505 1.00 0.00 H new ATOM 240 N LEU A 21 -5.635 0.505 -3.821 1.00 0.00 N ATOM 241 CA LEU A 21 -6.064 0.989 -2.514 1.00 0.00 C ATOM 242 C LEU A 21 -7.585 1.035 -2.422 1.00 0.00 C ATOM 243 O LEU A 21 -8.144 1.329 -1.365 1.00 0.00 O ATOM 244 CB LEU A 21 -5.483 2.379 -2.248 1.00 0.00 C ATOM 245 CG LEU A 21 -4.121 2.416 -1.553 1.00 0.00 C ATOM 246 CD1 LEU A 21 -3.336 3.646 -1.981 1.00 0.00 C ATOM 247 CD2 LEU A 21 -4.293 2.390 -0.041 1.00 0.00 C ATOM 0 H LEU A 21 -5.358 1.239 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.694 0.296 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.397 2.903 -3.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.194 2.938 -1.640 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.559 1.531 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.370 3.655 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.182 3.622 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.893 4.544 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.314 2.417 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.875 3.256 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.814 1.478 0.250 1.00 0.00 H new ATOM 259 N GLU A 22 -8.250 0.742 -3.535 1.00 0.00 N ATOM 260 CA GLU A 22 -9.707 0.748 -3.579 1.00 0.00 C ATOM 261 C GLU A 22 -10.259 -0.674 -3.543 1.00 0.00 C ATOM 262 O GLU A 22 -11.283 -0.938 -2.913 1.00 0.00 O ATOM 263 CB GLU A 22 -10.198 1.467 -4.838 1.00 0.00 C ATOM 264 CG GLU A 22 -9.575 2.838 -5.039 1.00 0.00 C ATOM 265 CD GLU A 22 -10.442 3.755 -5.879 1.00 0.00 C ATOM 266 OE1 GLU A 22 -10.442 3.601 -7.118 1.00 0.00 O ATOM 267 OE2 GLU A 22 -11.122 4.626 -5.297 1.00 0.00 O ATOM 0 H GLU A 22 -7.803 0.497 -4.418 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.069 1.281 -2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.980 0.847 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.281 1.574 -4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.400 3.299 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.602 2.724 -5.518 1.00 0.00 H new ATOM 274 N HIS A 23 -9.574 -1.586 -4.225 1.00 0.00 N ATOM 275 CA HIS A 23 -9.995 -2.982 -4.272 1.00 0.00 C ATOM 276 C HIS A 23 -8.843 -3.882 -4.709 1.00 0.00 C ATOM 277 O HIS A 23 -7.782 -3.402 -5.104 1.00 0.00 O ATOM 278 CB HIS A 23 -11.178 -3.148 -5.226 1.00 0.00 C ATOM 279 CG HIS A 23 -12.221 -2.083 -5.078 1.00 0.00 C ATOM 280 ND1 HIS A 23 -13.233 -2.146 -4.145 1.00 0.00 N ATOM 281 CD2 HIS A 23 -12.403 -0.923 -5.751 1.00 0.00 C ATOM 282 CE1 HIS A 23 -13.995 -1.072 -4.251 1.00 0.00 C ATOM 283 NE2 HIS A 23 -13.512 -0.313 -5.218 1.00 0.00 N ATOM 0 H HIS A 23 -8.725 -1.384 -4.753 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.303 -3.277 -3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.810 -3.145 -6.252 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.638 -4.121 -5.056 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -11.790 -0.547 -6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -14.865 -0.852 -3.649 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -13.900 0.581 -5.520 1.00 0.00 H new ATOM 292 N GLY A 24 -9.061 -5.192 -4.634 1.00 0.00 N ATOM 293 CA GLY A 24 -8.032 -6.138 -5.024 1.00 0.00 C ATOM 294 C GLY A 24 -8.607 -7.467 -5.471 1.00 0.00 C ATOM 295 O GLY A 24 -9.744 -7.803 -5.142 1.00 0.00 O ATOM 0 H GLY A 24 -9.931 -5.614 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.438 -5.712 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.356 -6.302 -4.185 1.00 0.00 H new ATOM 299 N LYS A 25 -7.820 -8.226 -6.227 1.00 0.00 N ATOM 300 CA LYS A 25 -8.256 -9.527 -6.722 1.00 0.00 C ATOM 301 C LYS A 25 -7.130 -10.551 -6.624 1.00 0.00 C ATOM 302 O LYS A 25 -5.988 -10.270 -6.985 1.00 0.00 O ATOM 303 CB LYS A 25 -8.730 -9.411 -8.172 1.00 0.00 C ATOM 304 CG LYS A 25 -9.763 -10.453 -8.560 1.00 0.00 C ATOM 305 CD LYS A 25 -10.115 -10.368 -10.035 1.00 0.00 C ATOM 306 CE LYS A 25 -10.553 -11.718 -10.583 1.00 0.00 C ATOM 307 NZ LYS A 25 -9.392 -12.546 -11.011 1.00 0.00 N ATOM 0 H LYS A 25 -6.876 -7.962 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.086 -9.865 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.151 -8.418 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.869 -9.501 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.380 -11.448 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.663 -10.314 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.913 -9.640 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.252 -10.009 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.119 -12.253 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.223 -11.566 -11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.732 -13.458 -11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.866 -12.047 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.766 -12.713 -10.198 1.00 0.00 H new ATOM 321 N VAL A 26 -7.461 -11.742 -6.135 1.00 0.00 N ATOM 322 CA VAL A 26 -6.479 -12.810 -5.992 1.00 0.00 C ATOM 323 C VAL A 26 -5.722 -13.038 -7.296 1.00 0.00 C ATOM 324 O VAL A 26 -6.308 -13.416 -8.308 1.00 0.00 O ATOM 325 CB VAL A 26 -7.144 -14.130 -5.560 1.00 0.00 C ATOM 326 CG1 VAL A 26 -6.153 -15.281 -5.650 1.00 0.00 C ATOM 327 CG2 VAL A 26 -7.704 -14.008 -4.151 1.00 0.00 C ATOM 0 H VAL A 26 -8.402 -11.991 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.779 -12.495 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.971 -14.339 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.640 -16.206 -5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.804 -15.381 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.304 -15.082 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.170 -14.950 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.896 -13.775 -3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.447 -13.211 -4.123 1.00 0.00 H new ATOM 337 N GLY A 27 -4.413 -12.805 -7.262 1.00 0.00 N ATOM 338 CA GLY A 27 -3.596 -12.990 -8.447 1.00 0.00 C ATOM 339 C GLY A 27 -3.334 -11.690 -9.180 1.00 0.00 C ATOM 340 O GLY A 27 -2.325 -11.552 -9.871 1.00 0.00 O ATOM 0 H GLY A 27 -3.904 -12.492 -6.435 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.645 -13.441 -8.162 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.091 -13.690 -9.120 1.00 0.00 H new ATOM 344 N GLU A 28 -4.246 -10.734 -9.031 1.00 0.00 N ATOM 345 CA GLU A 28 -4.108 -9.439 -9.687 1.00 0.00 C ATOM 346 C GLU A 28 -2.992 -8.620 -9.046 1.00 0.00 C ATOM 347 O GLU A 28 -2.301 -9.092 -8.142 1.00 0.00 O ATOM 348 CB GLU A 28 -5.427 -8.665 -9.619 1.00 0.00 C ATOM 349 CG GLU A 28 -6.420 -9.060 -10.698 1.00 0.00 C ATOM 350 CD GLU A 28 -5.950 -8.685 -12.090 1.00 0.00 C ATOM 351 OE1 GLU A 28 -5.802 -7.474 -12.358 1.00 0.00 O ATOM 352 OE2 GLU A 28 -5.730 -9.600 -12.910 1.00 0.00 O ATOM 0 H GLU A 28 -5.087 -10.832 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.851 -9.615 -10.732 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.882 -8.825 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.218 -7.599 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.590 -10.136 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.377 -8.578 -10.500 1.00 0.00 H new ATOM 359 N ALA A 29 -2.820 -7.390 -9.520 1.00 0.00 N ATOM 360 CA ALA A 29 -1.789 -6.505 -8.993 1.00 0.00 C ATOM 361 C ALA A 29 -2.375 -5.153 -8.600 1.00 0.00 C ATOM 362 O ALA A 29 -2.960 -4.455 -9.427 1.00 0.00 O ATOM 363 CB ALA A 29 -0.677 -6.323 -10.016 1.00 0.00 C ATOM 0 H ALA A 29 -3.382 -6.984 -10.268 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.372 -6.965 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.086 -5.660 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.232 -7.291 -10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.088 -5.888 -10.927 1.00 0.00 H new ATOM 369 N GLY A 30 -2.215 -4.790 -7.331 1.00 0.00 N ATOM 370 CA GLY A 30 -2.735 -3.524 -6.850 1.00 0.00 C ATOM 371 C GLY A 30 -1.892 -2.345 -7.295 1.00 0.00 C ATOM 372 O GLY A 30 -0.870 -2.035 -6.680 1.00 0.00 O ATOM 0 H GLY A 30 -1.734 -5.351 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.756 -3.394 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.781 -3.544 -5.761 1.00 0.00 H new ATOM 376 N LEU A 31 -2.318 -1.686 -8.367 1.00 0.00 N ATOM 377 CA LEU A 31 -1.594 -0.535 -8.895 1.00 0.00 C ATOM 378 C LEU A 31 -1.611 0.622 -7.902 1.00 0.00 C ATOM 379 O LEU A 31 -2.669 1.171 -7.589 1.00 0.00 O ATOM 380 CB LEU A 31 -2.206 -0.089 -10.225 1.00 0.00 C ATOM 381 CG LEU A 31 -2.199 -1.127 -11.348 1.00 0.00 C ATOM 382 CD1 LEU A 31 -3.025 -0.641 -12.529 1.00 0.00 C ATOM 383 CD2 LEU A 31 -0.773 -1.433 -11.782 1.00 0.00 C ATOM 0 H LEU A 31 -3.161 -1.929 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.559 -0.833 -9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.237 0.214 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.670 0.795 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.648 -2.046 -10.971 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.008 -1.392 -13.318 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.053 -0.473 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.606 0.291 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.787 -2.174 -12.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.298 -0.520 -12.141 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.211 -1.825 -10.934 1.00 0.00 H new ATOM 395 N LEU A 32 -0.433 0.990 -7.410 1.00 0.00 N ATOM 396 CA LEU A 32 -0.312 2.084 -6.452 1.00 0.00 C ATOM 397 C LEU A 32 0.736 3.094 -6.910 1.00 0.00 C ATOM 398 O LEU A 32 1.838 2.721 -7.312 1.00 0.00 O ATOM 399 CB LEU A 32 0.056 1.540 -5.071 1.00 0.00 C ATOM 400 CG LEU A 32 -0.883 0.480 -4.494 1.00 0.00 C ATOM 401 CD1 LEU A 32 -0.384 0.005 -3.138 1.00 0.00 C ATOM 402 CD2 LEU A 32 -2.299 1.026 -4.383 1.00 0.00 C ATOM 0 H LEU A 32 0.452 0.547 -7.658 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.275 2.590 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.059 1.117 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.100 2.376 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.896 -0.374 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.065 -0.749 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.611 -0.426 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.340 0.850 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.954 0.258 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.303 1.897 -3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.656 1.315 -5.372 1.00 0.00 H new ATOM 414 N SER A 33 0.385 4.374 -6.844 1.00 0.00 N ATOM 415 CA SER A 33 1.294 5.438 -7.252 1.00 0.00 C ATOM 416 C SER A 33 1.516 6.430 -6.115 1.00 0.00 C ATOM 417 O SER A 33 0.567 7.012 -5.589 1.00 0.00 O ATOM 418 CB SER A 33 0.742 6.166 -8.479 1.00 0.00 C ATOM 419 OG SER A 33 1.024 5.449 -9.668 1.00 0.00 O ATOM 0 H SER A 33 -0.523 4.699 -6.512 1.00 0.00 H new ATOM 0 HA SER A 33 2.252 4.985 -7.507 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.335 6.294 -8.375 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.177 7.163 -8.540 1.00 0.00 H new ATOM 0 HG SER A 33 0.659 5.935 -10.437 1.00 0.00 H new ATOM 425 N VAL A 34 2.778 6.617 -5.739 1.00 0.00 N ATOM 426 CA VAL A 34 3.126 7.539 -4.664 1.00 0.00 C ATOM 427 C VAL A 34 3.718 8.830 -5.219 1.00 0.00 C ATOM 428 O VAL A 34 4.601 8.803 -6.075 1.00 0.00 O ATOM 429 CB VAL A 34 4.132 6.905 -3.685 1.00 0.00 C ATOM 430 CG1 VAL A 34 4.412 7.847 -2.524 1.00 0.00 C ATOM 431 CG2 VAL A 34 3.614 5.566 -3.184 1.00 0.00 C ATOM 0 H VAL A 34 3.575 6.143 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 34 2.204 7.766 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 34 5.069 6.731 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.125 7.383 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.829 8.780 -2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.484 8.055 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.337 5.132 -2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.664 5.713 -2.670 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.469 4.893 -4.029 1.00 0.00 H new ATOM 441 N ASP A 35 3.225 9.960 -4.724 1.00 0.00 N ATOM 442 CA ASP A 35 3.706 11.264 -5.168 1.00 0.00 C ATOM 443 C ASP A 35 4.352 12.026 -4.015 1.00 0.00 C ATOM 444 O ASP A 35 3.662 12.553 -3.142 1.00 0.00 O ATOM 445 CB ASP A 35 2.556 12.082 -5.756 1.00 0.00 C ATOM 446 CG ASP A 35 3.044 13.246 -6.596 1.00 0.00 C ATOM 447 OD1 ASP A 35 3.608 12.997 -7.682 1.00 0.00 O ATOM 448 OD2 ASP A 35 2.862 14.405 -6.168 1.00 0.00 O ATOM 0 H ASP A 35 2.493 10.000 -4.015 1.00 0.00 H new ATOM 0 HA ASP A 35 4.458 11.103 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.929 11.434 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.931 12.459 -4.946 1.00 0.00 H new ATOM 453 N CYS A 36 5.680 12.079 -4.019 1.00 0.00 N ATOM 454 CA CYS A 36 6.419 12.776 -2.972 1.00 0.00 C ATOM 455 C CYS A 36 6.836 14.168 -3.435 1.00 0.00 C ATOM 456 O CYS A 36 7.605 14.313 -4.385 1.00 0.00 O ATOM 457 CB CYS A 36 7.654 11.969 -2.569 1.00 0.00 C ATOM 458 SG CYS A 36 8.947 11.917 -3.832 1.00 0.00 S ATOM 0 H CYS A 36 6.266 11.648 -4.734 1.00 0.00 H new ATOM 0 HA CYS A 36 5.764 12.882 -2.107 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.070 12.394 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.348 10.949 -2.335 1.00 0.00 H new ATOM 0 HG CYS A 36 8.833 12.950 -4.613 1.00 0.00 H new ATOM 464 N SER A 37 6.320 15.190 -2.759 1.00 0.00 N ATOM 465 CA SER A 37 6.634 16.571 -3.105 1.00 0.00 C ATOM 466 C SER A 37 7.653 17.157 -2.132 1.00 0.00 C ATOM 467 O SER A 37 8.757 17.532 -2.524 1.00 0.00 O ATOM 468 CB SER A 37 5.362 17.421 -3.102 1.00 0.00 C ATOM 469 OG SER A 37 4.602 17.207 -4.278 1.00 0.00 O ATOM 0 H SER A 37 5.683 15.087 -1.969 1.00 0.00 H new ATOM 0 HA SER A 37 7.066 16.580 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.760 17.177 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.626 18.476 -3.023 1.00 0.00 H new ATOM 0 HG SER A 37 3.794 17.760 -4.250 1.00 0.00 H new ATOM 475 N GLU A 38 7.273 17.231 -0.860 1.00 0.00 N ATOM 476 CA GLU A 38 8.153 17.772 0.170 1.00 0.00 C ATOM 477 C GLU A 38 8.444 16.724 1.241 1.00 0.00 C ATOM 478 O GLU A 38 8.854 17.056 2.352 1.00 0.00 O ATOM 479 CB GLU A 38 7.524 19.011 0.810 1.00 0.00 C ATOM 480 CG GLU A 38 7.743 20.286 0.013 1.00 0.00 C ATOM 481 CD GLU A 38 9.152 20.827 0.156 1.00 0.00 C ATOM 482 OE1 GLU A 38 10.109 20.067 -0.098 1.00 0.00 O ATOM 483 OE2 GLU A 38 9.298 22.013 0.521 1.00 0.00 O ATOM 0 H GLU A 38 6.363 16.923 -0.518 1.00 0.00 H new ATOM 0 HA GLU A 38 9.094 18.055 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.453 18.845 0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.937 19.142 1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.537 20.092 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.032 21.043 0.343 1.00 0.00 H new ATOM 490 N ALA A 39 8.229 15.459 0.897 1.00 0.00 N ATOM 491 CA ALA A 39 8.470 14.363 1.827 1.00 0.00 C ATOM 492 C ALA A 39 9.950 14.256 2.178 1.00 0.00 C ATOM 493 O ALA A 39 10.328 13.539 3.104 1.00 0.00 O ATOM 494 CB ALA A 39 7.969 13.052 1.239 1.00 0.00 C ATOM 0 H ALA A 39 7.888 15.168 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 39 7.920 14.571 2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.155 12.242 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.899 13.125 1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.493 12.848 0.305 1.00 0.00 H new ATOM 500 N GLY A 40 10.784 14.975 1.432 1.00 0.00 N ATOM 501 CA GLY A 40 12.214 14.946 1.681 1.00 0.00 C ATOM 502 C GLY A 40 12.812 13.571 1.461 1.00 0.00 C ATOM 503 O GLY A 40 12.301 12.764 0.684 1.00 0.00 O ATOM 0 H GLY A 40 10.495 15.576 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.709 15.663 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.408 15.264 2.705 1.00 0.00 H new ATOM 507 N PRO A 41 13.925 13.288 2.155 1.00 0.00 N ATOM 508 CA PRO A 41 14.619 12.001 2.048 1.00 0.00 C ATOM 509 C PRO A 41 13.822 10.859 2.670 1.00 0.00 C ATOM 510 O PRO A 41 12.627 10.993 2.931 1.00 0.00 O ATOM 511 CB PRO A 41 15.917 12.232 2.825 1.00 0.00 C ATOM 512 CG PRO A 41 15.592 13.319 3.791 1.00 0.00 C ATOM 513 CD PRO A 41 14.590 14.201 3.099 1.00 0.00 C ATOM 0 HA PRO A 41 14.774 11.707 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.236 11.326 3.341 1.00 0.00 H new ATOM 0 HB3 PRO A 41 16.730 12.523 2.160 1.00 0.00 H new ATOM 0 HG2 PRO A 41 15.181 12.911 4.714 1.00 0.00 H new ATOM 0 HG3 PRO A 41 16.486 13.881 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.882 14.635 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.074 15.030 2.583 1.00 0.00 H new ATOM 521 N GLY A 42 14.492 9.735 2.904 1.00 0.00 N ATOM 522 CA GLY A 42 13.830 8.586 3.494 1.00 0.00 C ATOM 523 C GLY A 42 13.540 7.499 2.478 1.00 0.00 C ATOM 524 O GLY A 42 13.354 7.780 1.294 1.00 0.00 O ATOM 0 H GLY A 42 15.481 9.599 2.696 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.455 8.179 4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.896 8.906 3.956 1.00 0.00 H new ATOM 528 N ALA A 43 13.503 6.253 2.940 1.00 0.00 N ATOM 529 CA ALA A 43 13.233 5.121 2.063 1.00 0.00 C ATOM 530 C ALA A 43 11.773 4.690 2.155 1.00 0.00 C ATOM 531 O ALA A 43 11.183 4.687 3.237 1.00 0.00 O ATOM 532 CB ALA A 43 14.151 3.957 2.406 1.00 0.00 C ATOM 0 H ALA A 43 13.657 6.003 3.917 1.00 0.00 H new ATOM 0 HA ALA A 43 13.428 5.434 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 13.938 3.118 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.190 4.264 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.984 3.654 3.440 1.00 0.00 H new ATOM 538 N LEU A 44 11.194 4.329 1.016 1.00 0.00 N ATOM 539 CA LEU A 44 9.802 3.897 0.968 1.00 0.00 C ATOM 540 C LEU A 44 9.699 2.378 1.059 1.00 0.00 C ATOM 541 O LEU A 44 10.560 1.656 0.558 1.00 0.00 O ATOM 542 CB LEU A 44 9.139 4.387 -0.321 1.00 0.00 C ATOM 543 CG LEU A 44 7.840 3.684 -0.717 1.00 0.00 C ATOM 544 CD1 LEU A 44 6.755 3.946 0.316 1.00 0.00 C ATOM 545 CD2 LEU A 44 7.387 4.139 -2.096 1.00 0.00 C ATOM 0 H LEU A 44 11.667 4.327 0.112 1.00 0.00 H new ATOM 0 HA LEU A 44 9.284 4.330 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.935 5.453 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.852 4.276 -1.138 1.00 0.00 H new ATOM 0 HG LEU A 44 8.026 2.611 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.838 3.438 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.078 3.570 1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.570 5.018 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.461 3.629 -2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.218 5.216 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.157 3.899 -2.829 1.00 0.00 H new ATOM 557 N GLY A 45 8.639 1.899 1.702 1.00 0.00 N ATOM 558 CA GLY A 45 8.442 0.468 1.845 1.00 0.00 C ATOM 559 C GLY A 45 7.007 0.110 2.179 1.00 0.00 C ATOM 560 O GLY A 45 6.383 0.746 3.029 1.00 0.00 O ATOM 0 H GLY A 45 7.913 2.476 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.731 -0.030 0.919 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.099 0.091 2.629 1.00 0.00 H new ATOM 564 N LEU A 46 6.482 -0.908 1.508 1.00 0.00 N ATOM 565 CA LEU A 46 5.110 -1.349 1.736 1.00 0.00 C ATOM 566 C LEU A 46 5.076 -2.795 2.219 1.00 0.00 C ATOM 567 O LEU A 46 5.972 -3.582 1.915 1.00 0.00 O ATOM 568 CB LEU A 46 4.288 -1.208 0.454 1.00 0.00 C ATOM 569 CG LEU A 46 2.830 -1.663 0.538 1.00 0.00 C ATOM 570 CD1 LEU A 46 1.969 -0.581 1.169 1.00 0.00 C ATOM 571 CD2 LEU A 46 2.305 -2.027 -0.843 1.00 0.00 C ATOM 0 H LEU A 46 6.985 -1.444 0.801 1.00 0.00 H new ATOM 0 HA LEU A 46 4.675 -0.717 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.304 -0.162 0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.781 -1.777 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 46 2.782 -2.551 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.935 -0.923 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.331 -0.368 2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.022 0.325 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.266 -2.348 -0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.367 -1.157 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.905 -2.837 -1.259 1.00 0.00 H new ATOM 583 N GLU A 47 4.035 -3.138 2.972 1.00 0.00 N ATOM 584 CA GLU A 47 3.884 -4.491 3.495 1.00 0.00 C ATOM 585 C GLU A 47 2.431 -4.949 3.407 1.00 0.00 C ATOM 586 O GLU A 47 1.564 -4.438 4.115 1.00 0.00 O ATOM 587 CB GLU A 47 4.364 -4.557 4.946 1.00 0.00 C ATOM 588 CG GLU A 47 4.353 -5.960 5.528 1.00 0.00 C ATOM 589 CD GLU A 47 4.881 -6.007 6.949 1.00 0.00 C ATOM 590 OE1 GLU A 47 6.074 -5.695 7.150 1.00 0.00 O ATOM 591 OE2 GLU A 47 4.101 -6.355 7.860 1.00 0.00 O ATOM 0 H GLU A 47 3.285 -2.498 3.233 1.00 0.00 H new ATOM 0 HA GLU A 47 4.495 -5.158 2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.376 -4.157 5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.732 -3.914 5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.335 -6.349 5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.956 -6.615 4.899 1.00 0.00 H new ATOM 598 N ALA A 48 2.174 -5.917 2.533 1.00 0.00 N ATOM 599 CA ALA A 48 0.827 -6.445 2.353 1.00 0.00 C ATOM 600 C ALA A 48 0.638 -7.742 3.134 1.00 0.00 C ATOM 601 O ALA A 48 1.412 -8.687 2.984 1.00 0.00 O ATOM 602 CB ALA A 48 0.541 -6.670 0.876 1.00 0.00 C ATOM 0 H ALA A 48 2.880 -6.351 1.939 1.00 0.00 H new ATOM 0 HA ALA A 48 0.120 -5.711 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.468 -7.064 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.627 -5.724 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.259 -7.383 0.471 1.00 0.00 H new ATOM 608 N VAL A 49 -0.397 -7.779 3.967 1.00 0.00 N ATOM 609 CA VAL A 49 -0.688 -8.960 4.771 1.00 0.00 C ATOM 610 C VAL A 49 -2.190 -9.205 4.864 1.00 0.00 C ATOM 611 O VAL A 49 -2.965 -8.282 5.117 1.00 0.00 O ATOM 612 CB VAL A 49 -0.112 -8.827 6.193 1.00 0.00 C ATOM 613 CG1 VAL A 49 -0.594 -9.970 7.074 1.00 0.00 C ATOM 614 CG2 VAL A 49 1.408 -8.782 6.149 1.00 0.00 C ATOM 0 H VAL A 49 -1.048 -7.005 4.103 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.215 -9.806 4.273 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.469 -7.892 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.177 -9.859 8.075 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.682 -9.952 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.269 -10.919 6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.799 -8.688 7.162 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.786 -9.699 5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.730 -7.926 5.555 1.00 0.00 H new ATOM 624 N SER A 50 -2.595 -10.454 4.659 1.00 0.00 N ATOM 625 CA SER A 50 -4.005 -10.820 4.717 1.00 0.00 C ATOM 626 C SER A 50 -4.472 -10.959 6.163 1.00 0.00 C ATOM 627 O SER A 50 -3.663 -11.136 7.073 1.00 0.00 O ATOM 628 CB SER A 50 -4.245 -12.130 3.964 1.00 0.00 C ATOM 629 OG SER A 50 -5.619 -12.477 3.968 1.00 0.00 O ATOM 0 H SER A 50 -1.966 -11.230 4.451 1.00 0.00 H new ATOM 0 HA SER A 50 -4.581 -10.025 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.895 -12.032 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.664 -12.929 4.424 1.00 0.00 H new ATOM 0 HG SER A 50 -5.746 -13.317 3.479 1.00 0.00 H new ATOM 635 N ASP A 51 -5.782 -10.877 6.365 1.00 0.00 N ATOM 636 CA ASP A 51 -6.359 -10.994 7.699 1.00 0.00 C ATOM 637 C ASP A 51 -5.759 -12.180 8.448 1.00 0.00 C ATOM 638 O ASP A 51 -5.377 -12.063 9.612 1.00 0.00 O ATOM 639 CB ASP A 51 -7.878 -11.146 7.610 1.00 0.00 C ATOM 640 CG ASP A 51 -8.303 -12.581 7.368 1.00 0.00 C ATOM 641 OD1 ASP A 51 -7.855 -13.170 6.362 1.00 0.00 O ATOM 642 OD2 ASP A 51 -9.084 -13.114 8.184 1.00 0.00 O ATOM 0 H ASP A 51 -6.465 -10.730 5.622 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.125 -10.083 8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.331 -10.787 8.534 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.257 -10.517 6.804 1.00 0.00 H new ATOM 647 N SER A 52 -5.682 -13.322 7.772 1.00 0.00 N ATOM 648 CA SER A 52 -5.134 -14.531 8.375 1.00 0.00 C ATOM 649 C SER A 52 -3.632 -14.392 8.604 1.00 0.00 C ATOM 650 O SER A 52 -3.064 -15.037 9.485 1.00 0.00 O ATOM 651 CB SER A 52 -5.415 -15.743 7.484 1.00 0.00 C ATOM 652 OG SER A 52 -5.542 -16.925 8.256 1.00 0.00 O ATOM 0 H SER A 52 -5.992 -13.435 6.807 1.00 0.00 H new ATOM 0 HA SER A 52 -5.619 -14.677 9.340 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.330 -15.576 6.916 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.608 -15.862 6.761 1.00 0.00 H new ATOM 0 HG SER A 52 -5.723 -17.685 7.664 1.00 0.00 H new ATOM 658 N GLY A 53 -2.994 -13.543 7.804 1.00 0.00 N ATOM 659 CA GLY A 53 -1.564 -13.333 7.934 1.00 0.00 C ATOM 660 C GLY A 53 -0.788 -13.874 6.750 1.00 0.00 C ATOM 661 O GLY A 53 0.152 -14.651 6.916 1.00 0.00 O ATOM 0 H GLY A 53 -3.442 -12.997 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.365 -12.266 8.038 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.211 -13.814 8.846 1.00 0.00 H new ATOM 665 N THR A 54 -1.183 -13.464 5.548 1.00 0.00 N ATOM 666 CA THR A 54 -0.521 -13.914 4.331 1.00 0.00 C ATOM 667 C THR A 54 0.258 -12.779 3.677 1.00 0.00 C ATOM 668 O THR A 54 -0.321 -11.781 3.247 1.00 0.00 O ATOM 669 CB THR A 54 -1.533 -14.479 3.317 1.00 0.00 C ATOM 670 OG1 THR A 54 -2.304 -15.522 3.923 1.00 0.00 O ATOM 671 CG2 THR A 54 -0.821 -15.018 2.085 1.00 0.00 C ATOM 0 H THR A 54 -1.959 -12.820 5.392 1.00 0.00 H new ATOM 0 HA THR A 54 0.171 -14.705 4.621 1.00 0.00 H new ATOM 0 HB THR A 54 -2.196 -13.670 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.705 -16.081 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.556 -15.412 1.383 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.259 -14.215 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.137 -15.814 2.379 1.00 0.00 H new ATOM 679 N LYS A 55 1.575 -12.937 3.603 1.00 0.00 N ATOM 680 CA LYS A 55 2.435 -11.926 2.998 1.00 0.00 C ATOM 681 C LYS A 55 2.380 -12.004 1.476 1.00 0.00 C ATOM 682 O LYS A 55 2.882 -12.953 0.875 1.00 0.00 O ATOM 683 CB LYS A 55 3.878 -12.102 3.477 1.00 0.00 C ATOM 684 CG LYS A 55 4.057 -11.872 4.967 1.00 0.00 C ATOM 685 CD LYS A 55 5.393 -12.406 5.457 1.00 0.00 C ATOM 686 CE LYS A 55 5.524 -12.277 6.967 1.00 0.00 C ATOM 687 NZ LYS A 55 4.914 -13.435 7.678 1.00 0.00 N ATOM 0 H LYS A 55 2.071 -13.756 3.955 1.00 0.00 H new ATOM 0 HA LYS A 55 2.073 -10.945 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.213 -13.109 3.231 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.520 -11.410 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.989 -10.806 5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.248 -12.359 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.495 -13.452 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.204 -11.862 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.578 -12.201 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.044 -11.355 7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.024 -13.309 8.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.903 -13.493 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.389 -14.312 7.384 1.00 0.00 H new ATOM 701 N ALA A 56 1.767 -11.000 0.858 1.00 0.00 N ATOM 702 CA ALA A 56 1.649 -10.954 -0.594 1.00 0.00 C ATOM 703 C ALA A 56 2.941 -10.457 -1.233 1.00 0.00 C ATOM 704 O ALA A 56 3.851 -10.002 -0.542 1.00 0.00 O ATOM 705 CB ALA A 56 0.482 -10.068 -1.001 1.00 0.00 C ATOM 0 H ALA A 56 1.344 -10.207 1.341 1.00 0.00 H new ATOM 0 HA ALA A 56 1.463 -11.967 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.406 -10.043 -2.088 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.442 -10.467 -0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.644 -9.058 -0.625 1.00 0.00 H new ATOM 711 N GLU A 57 3.014 -10.548 -2.558 1.00 0.00 N ATOM 712 CA GLU A 57 4.196 -10.109 -3.289 1.00 0.00 C ATOM 713 C GLU A 57 4.152 -8.604 -3.541 1.00 0.00 C ATOM 714 O GLU A 57 3.294 -8.110 -4.272 1.00 0.00 O ATOM 715 CB GLU A 57 4.307 -10.856 -4.620 1.00 0.00 C ATOM 716 CG GLU A 57 5.271 -10.212 -5.602 1.00 0.00 C ATOM 717 CD GLU A 57 5.907 -11.218 -6.541 1.00 0.00 C ATOM 718 OE1 GLU A 57 6.707 -12.051 -6.065 1.00 0.00 O ATOM 719 OE2 GLU A 57 5.604 -11.173 -7.752 1.00 0.00 O ATOM 0 H GLU A 57 2.269 -10.922 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 57 5.072 -10.333 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.629 -11.879 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.320 -10.913 -5.078 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.740 -9.460 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.053 -9.692 -5.049 1.00 0.00 H new ATOM 726 N VAL A 58 5.084 -7.881 -2.928 1.00 0.00 N ATOM 727 CA VAL A 58 5.154 -6.433 -3.085 1.00 0.00 C ATOM 728 C VAL A 58 6.439 -6.017 -3.791 1.00 0.00 C ATOM 729 O VAL A 58 7.494 -6.618 -3.586 1.00 0.00 O ATOM 730 CB VAL A 58 5.074 -5.716 -1.724 1.00 0.00 C ATOM 731 CG1 VAL A 58 5.189 -4.210 -1.905 1.00 0.00 C ATOM 732 CG2 VAL A 58 3.782 -6.078 -1.007 1.00 0.00 C ATOM 0 H VAL A 58 5.801 -8.274 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 58 4.298 -6.140 -3.693 1.00 0.00 H new ATOM 0 HB VAL A 58 5.910 -6.048 -1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.130 -3.721 -0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.144 -3.972 -2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.375 -3.856 -2.538 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.742 -5.563 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.931 -5.776 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.747 -7.155 -0.842 1.00 0.00 H new ATOM 742 N SER A 59 6.344 -4.986 -4.624 1.00 0.00 N ATOM 743 CA SER A 59 7.499 -4.491 -5.364 1.00 0.00 C ATOM 744 C SER A 59 7.425 -2.977 -5.539 1.00 0.00 C ATOM 745 O SER A 59 6.411 -2.443 -5.990 1.00 0.00 O ATOM 746 CB SER A 59 7.584 -5.170 -6.732 1.00 0.00 C ATOM 747 OG SER A 59 8.832 -4.913 -7.353 1.00 0.00 O ATOM 0 H SER A 59 5.479 -4.477 -4.804 1.00 0.00 H new ATOM 0 HA SER A 59 8.395 -4.729 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.446 -6.245 -6.617 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.776 -4.812 -7.370 1.00 0.00 H new ATOM 0 HG SER A 59 8.862 -5.359 -8.225 1.00 0.00 H new ATOM 753 N ILE A 60 8.505 -2.293 -5.179 1.00 0.00 N ATOM 754 CA ILE A 60 8.563 -0.841 -5.297 1.00 0.00 C ATOM 755 C ILE A 60 9.566 -0.416 -6.364 1.00 0.00 C ATOM 756 O ILE A 60 10.698 -0.899 -6.394 1.00 0.00 O ATOM 757 CB ILE A 60 8.945 -0.182 -3.959 1.00 0.00 C ATOM 758 CG1 ILE A 60 7.956 -0.589 -2.865 1.00 0.00 C ATOM 759 CG2 ILE A 60 8.988 1.331 -4.106 1.00 0.00 C ATOM 760 CD1 ILE A 60 8.536 -0.522 -1.470 1.00 0.00 C ATOM 0 H ILE A 60 9.352 -2.720 -4.803 1.00 0.00 H new ATOM 0 HA ILE A 60 7.566 -0.508 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 60 9.938 -0.527 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.082 0.060 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.611 -1.605 -3.058 1.00 0.00 H new ATOM 0 HG21 ILE A 60 9.259 1.782 -3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.728 1.603 -4.859 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.007 1.695 -4.413 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.779 -0.824 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.393 -1.192 -1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.855 0.498 -1.257 1.00 0.00 H new ATOM 772 N GLN A 61 9.144 0.492 -7.238 1.00 0.00 N ATOM 773 CA GLN A 61 10.006 0.983 -8.306 1.00 0.00 C ATOM 774 C GLN A 61 10.052 2.507 -8.312 1.00 0.00 C ATOM 775 O GLN A 61 9.116 3.168 -7.862 1.00 0.00 O ATOM 776 CB GLN A 61 9.516 0.471 -9.662 1.00 0.00 C ATOM 777 CG GLN A 61 10.612 0.385 -10.712 1.00 0.00 C ATOM 778 CD GLN A 61 11.912 -0.160 -10.155 1.00 0.00 C ATOM 779 OE1 GLN A 61 11.914 -1.090 -9.348 1.00 0.00 O ATOM 780 NE2 GLN A 61 13.028 0.418 -10.584 1.00 0.00 N ATOM 0 H GLN A 61 8.210 0.902 -7.227 1.00 0.00 H new ATOM 0 HA GLN A 61 11.014 0.608 -8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.073 -0.516 -9.530 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.727 1.129 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.277 -0.252 -11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.788 1.376 -11.131 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.980 1.186 -11.253 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.933 0.094 -10.244 1.00 0.00 H new ATOM 858 N THR A 67 8.112 9.704 -8.461 1.00 0.00 N ATOM 859 CA THR A 67 7.061 8.881 -7.878 1.00 0.00 C ATOM 860 C THR A 67 7.522 7.437 -7.711 1.00 0.00 C ATOM 861 O THR A 67 8.511 7.018 -8.314 1.00 0.00 O ATOM 862 CB THR A 67 5.785 8.904 -8.741 1.00 0.00 C ATOM 863 OG1 THR A 67 6.106 8.579 -10.098 1.00 0.00 O ATOM 864 CG2 THR A 67 5.119 10.270 -8.685 1.00 0.00 C ATOM 0 HA THR A 67 6.836 9.303 -6.899 1.00 0.00 H new ATOM 0 HB THR A 67 5.091 8.163 -8.345 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.050 8.781 -10.268 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.220 10.262 -9.302 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.850 10.502 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.809 11.027 -9.059 1.00 0.00 H new ATOM 872 N TYR A 68 6.800 6.681 -6.892 1.00 0.00 N ATOM 873 CA TYR A 68 7.137 5.284 -6.645 1.00 0.00 C ATOM 874 C TYR A 68 6.006 4.364 -7.093 1.00 0.00 C ATOM 875 O TYR A 68 4.849 4.556 -6.720 1.00 0.00 O ATOM 876 CB TYR A 68 7.431 5.063 -5.161 1.00 0.00 C ATOM 877 CG TYR A 68 8.633 5.832 -4.660 1.00 0.00 C ATOM 878 CD1 TYR A 68 8.502 7.130 -4.181 1.00 0.00 C ATOM 879 CD2 TYR A 68 9.900 5.261 -4.667 1.00 0.00 C ATOM 880 CE1 TYR A 68 9.597 7.836 -3.724 1.00 0.00 C ATOM 881 CE2 TYR A 68 11.000 5.960 -4.210 1.00 0.00 C ATOM 882 CZ TYR A 68 10.844 7.247 -3.740 1.00 0.00 C ATOM 883 OH TYR A 68 11.937 7.948 -3.284 1.00 0.00 O ATOM 0 H TYR A 68 5.977 7.012 -6.388 1.00 0.00 H new ATOM 0 HA TYR A 68 8.028 5.044 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.556 5.353 -4.579 1.00 0.00 H new ATOM 0 HB3 TYR A 68 7.592 3.999 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.527 7.594 -4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.027 4.254 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 68 9.478 8.844 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.978 5.501 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 68 12.739 7.390 -3.362 1.00 0.00 H new ATOM 893 N ALA A 69 6.350 3.362 -7.896 1.00 0.00 N ATOM 894 CA ALA A 69 5.365 2.409 -8.394 1.00 0.00 C ATOM 895 C ALA A 69 5.245 1.208 -7.463 1.00 0.00 C ATOM 896 O ALA A 69 6.007 0.247 -7.571 1.00 0.00 O ATOM 897 CB ALA A 69 5.733 1.956 -9.799 1.00 0.00 C ATOM 0 H ALA A 69 7.303 3.189 -8.215 1.00 0.00 H new ATOM 0 HA ALA A 69 4.397 2.908 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.989 1.245 -10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.761 2.819 -10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.713 1.479 -9.783 1.00 0.00 H new ATOM 903 N VAL A 70 4.283 1.268 -6.548 1.00 0.00 N ATOM 904 CA VAL A 70 4.062 0.184 -5.598 1.00 0.00 C ATOM 905 C VAL A 70 2.957 -0.751 -6.077 1.00 0.00 C ATOM 906 O VAL A 70 1.923 -0.305 -6.575 1.00 0.00 O ATOM 907 CB VAL A 70 3.692 0.726 -4.204 1.00 0.00 C ATOM 908 CG1 VAL A 70 3.152 -0.390 -3.324 1.00 0.00 C ATOM 909 CG2 VAL A 70 4.896 1.392 -3.556 1.00 0.00 C ATOM 0 H VAL A 70 3.644 2.056 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 70 4.998 -0.370 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 70 2.909 1.476 -4.320 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.896 0.011 -2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.262 -0.818 -3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.911 -1.165 -3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.617 1.769 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.701 0.665 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.233 2.220 -4.180 1.00 0.00 H new ATOM 919 N THR A 71 3.183 -2.052 -5.924 1.00 0.00 N ATOM 920 CA THR A 71 2.207 -3.051 -6.342 1.00 0.00 C ATOM 921 C THR A 71 2.162 -4.218 -5.363 1.00 0.00 C ATOM 922 O THR A 71 3.137 -4.492 -4.662 1.00 0.00 O ATOM 923 CB THR A 71 2.522 -3.589 -7.750 1.00 0.00 C ATOM 924 OG1 THR A 71 3.147 -2.568 -8.536 1.00 0.00 O ATOM 925 CG2 THR A 71 1.254 -4.064 -8.444 1.00 0.00 C ATOM 0 H THR A 71 4.033 -2.438 -5.514 1.00 0.00 H new ATOM 0 HA THR A 71 1.236 -2.557 -6.359 1.00 0.00 H new ATOM 0 HB THR A 71 3.201 -4.436 -7.648 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.346 -2.918 -9.429 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.502 -4.440 -9.437 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.795 -4.861 -7.858 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.555 -3.232 -8.535 1.00 0.00 H new ATOM 933 N TYR A 72 1.026 -4.905 -5.320 1.00 0.00 N ATOM 934 CA TYR A 72 0.853 -6.043 -4.424 1.00 0.00 C ATOM 935 C TYR A 72 -0.028 -7.111 -5.065 1.00 0.00 C ATOM 936 O TYR A 72 -1.107 -6.817 -5.577 1.00 0.00 O ATOM 937 CB TYR A 72 0.241 -5.588 -3.099 1.00 0.00 C ATOM 938 CG TYR A 72 -1.234 -5.265 -3.193 1.00 0.00 C ATOM 939 CD1 TYR A 72 -2.191 -6.270 -3.120 1.00 0.00 C ATOM 940 CD2 TYR A 72 -1.669 -3.955 -3.353 1.00 0.00 C ATOM 941 CE1 TYR A 72 -3.539 -5.979 -3.206 1.00 0.00 C ATOM 942 CE2 TYR A 72 -3.015 -3.656 -3.438 1.00 0.00 C ATOM 943 CZ TYR A 72 -3.946 -4.671 -3.365 1.00 0.00 C ATOM 944 OH TYR A 72 -5.288 -4.378 -3.449 1.00 0.00 O ATOM 0 H TYR A 72 0.211 -4.694 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 72 1.835 -6.475 -4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.386 -6.370 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.776 -4.707 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.876 -7.295 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.943 -3.158 -3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.270 -6.772 -3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.337 -2.632 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.415 -3.408 -3.390 1.00 0.00 H new ATOM 954 N VAL A 73 0.442 -8.354 -5.031 1.00 0.00 N ATOM 955 CA VAL A 73 -0.303 -9.468 -5.605 1.00 0.00 C ATOM 956 C VAL A 73 -0.833 -10.394 -4.517 1.00 0.00 C ATOM 957 O VAL A 73 -0.112 -11.231 -3.973 1.00 0.00 O ATOM 958 CB VAL A 73 0.570 -10.284 -6.578 1.00 0.00 C ATOM 959 CG1 VAL A 73 -0.228 -11.433 -7.175 1.00 0.00 C ATOM 960 CG2 VAL A 73 1.130 -9.387 -7.671 1.00 0.00 C ATOM 0 H VAL A 73 1.335 -8.615 -4.612 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.142 -9.039 -6.153 1.00 0.00 H new ATOM 0 HB VAL A 73 1.408 -10.706 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.404 -11.998 -7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.575 -12.089 -6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.086 -11.037 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.744 -9.980 -8.349 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.309 -8.935 -8.227 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.739 -8.603 -7.222 1.00 0.00 H new ATOM 970 N PRO A 74 -2.125 -10.244 -4.190 1.00 0.00 N ATOM 971 CA PRO A 74 -2.783 -11.058 -3.164 1.00 0.00 C ATOM 972 C PRO A 74 -2.962 -12.508 -3.602 1.00 0.00 C ATOM 973 O PRO A 74 -3.569 -12.784 -4.637 1.00 0.00 O ATOM 974 CB PRO A 74 -4.144 -10.380 -2.991 1.00 0.00 C ATOM 975 CG PRO A 74 -4.393 -9.694 -4.289 1.00 0.00 C ATOM 976 CD PRO A 74 -3.044 -9.266 -4.797 1.00 0.00 C ATOM 0 HA PRO A 74 -2.197 -11.108 -2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.924 -11.109 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.130 -9.670 -2.164 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.882 -10.364 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.051 -8.835 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.998 -9.293 -5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.805 -8.247 -4.493 1.00 0.00 H new ATOM 984 N LEU A 75 -2.430 -13.431 -2.808 1.00 0.00 N ATOM 985 CA LEU A 75 -2.531 -14.854 -3.113 1.00 0.00 C ATOM 986 C LEU A 75 -3.876 -15.413 -2.662 1.00 0.00 C ATOM 987 O LEU A 75 -4.501 -16.206 -3.368 1.00 0.00 O ATOM 988 CB LEU A 75 -1.394 -15.623 -2.438 1.00 0.00 C ATOM 989 CG LEU A 75 0.023 -15.152 -2.768 1.00 0.00 C ATOM 990 CD1 LEU A 75 1.021 -15.728 -1.775 1.00 0.00 C ATOM 991 CD2 LEU A 75 0.397 -15.541 -4.190 1.00 0.00 C ATOM 0 H LEU A 75 -1.924 -13.219 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.452 -14.975 -4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.533 -15.564 -1.358 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.479 -16.674 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 75 0.051 -14.065 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.024 -15.382 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.764 -15.398 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.991 -16.817 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.408 -15.198 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.351 -16.625 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.301 -15.079 -4.889 1.00 0.00 H new ATOM 1003 N THR A 76 -4.320 -14.993 -1.481 1.00 0.00 N ATOM 1004 CA THR A 76 -5.592 -15.451 -0.936 1.00 0.00 C ATOM 1005 C THR A 76 -6.572 -14.294 -0.782 1.00 0.00 C ATOM 1006 O THR A 76 -6.242 -13.262 -0.198 1.00 0.00 O ATOM 1007 CB THR A 76 -5.403 -16.135 0.432 1.00 0.00 C ATOM 1008 OG1 THR A 76 -6.661 -16.618 0.915 1.00 0.00 O ATOM 1009 CG2 THR A 76 -4.803 -15.168 1.442 1.00 0.00 C ATOM 0 H THR A 76 -3.817 -14.336 -0.884 1.00 0.00 H new ATOM 0 HA THR A 76 -5.997 -16.175 -1.643 1.00 0.00 H new ATOM 0 HB THR A 76 -4.718 -16.973 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.533 -17.053 1.784 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.679 -15.673 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.832 -14.824 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.467 -14.313 1.566 1.00 0.00 H new ATOM 1017 N ALA A 77 -7.779 -14.473 -1.309 1.00 0.00 N ATOM 1018 CA ALA A 77 -8.808 -13.444 -1.227 1.00 0.00 C ATOM 1019 C ALA A 77 -9.203 -13.176 0.221 1.00 0.00 C ATOM 1020 O ALA A 77 -9.145 -14.069 1.066 1.00 0.00 O ATOM 1021 CB ALA A 77 -10.027 -13.851 -2.042 1.00 0.00 C ATOM 0 H ALA A 77 -8.068 -15.321 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.399 -12.522 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.788 -13.073 -1.972 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.739 -13.984 -3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.428 -14.787 -1.654 1.00 0.00 H new ATOM 1027 N GLY A 78 -9.605 -11.940 0.502 1.00 0.00 N ATOM 1028 CA GLY A 78 -10.002 -11.577 1.850 1.00 0.00 C ATOM 1029 C GLY A 78 -9.607 -10.159 2.209 1.00 0.00 C ATOM 1030 O GLY A 78 -9.153 -9.399 1.354 1.00 0.00 O ATOM 0 H GLY A 78 -9.663 -11.184 -0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.082 -11.686 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.546 -12.268 2.558 1.00 0.00 H new ATOM 1034 N MET A 79 -9.782 -9.800 3.476 1.00 0.00 N ATOM 1035 CA MET A 79 -9.440 -8.462 3.946 1.00 0.00 C ATOM 1036 C MET A 79 -7.931 -8.311 4.105 1.00 0.00 C ATOM 1037 O MET A 79 -7.321 -8.946 4.966 1.00 0.00 O ATOM 1038 CB MET A 79 -10.137 -8.172 5.276 1.00 0.00 C ATOM 1039 CG MET A 79 -11.507 -7.533 5.118 1.00 0.00 C ATOM 1040 SD MET A 79 -11.433 -5.731 5.090 1.00 0.00 S ATOM 1041 CE MET A 79 -10.210 -5.462 3.810 1.00 0.00 C ATOM 0 H MET A 79 -10.159 -10.416 4.196 1.00 0.00 H new ATOM 0 HA MET A 79 -9.782 -7.744 3.201 1.00 0.00 H new ATOM 0 HB2 MET A 79 -10.242 -9.103 5.832 1.00 0.00 H new ATOM 0 HB3 MET A 79 -9.505 -7.514 5.872 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.965 -7.888 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.150 -7.854 5.937 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.194 -4.407 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.227 -5.757 4.178 1.00 0.00 H new ATOM 0 HE3 MET A 79 -10.463 -6.059 2.934 1.00 0.00 H new ATOM 1051 N TYR A 80 -7.334 -7.468 3.271 1.00 0.00 N ATOM 1052 CA TYR A 80 -5.895 -7.236 3.318 1.00 0.00 C ATOM 1053 C TYR A 80 -5.571 -5.986 4.132 1.00 0.00 C ATOM 1054 O TYR A 80 -6.398 -5.084 4.264 1.00 0.00 O ATOM 1055 CB TYR A 80 -5.333 -7.095 1.903 1.00 0.00 C ATOM 1056 CG TYR A 80 -4.908 -8.409 1.287 1.00 0.00 C ATOM 1057 CD1 TYR A 80 -5.828 -9.227 0.642 1.00 0.00 C ATOM 1058 CD2 TYR A 80 -3.586 -8.833 1.350 1.00 0.00 C ATOM 1059 CE1 TYR A 80 -5.444 -10.429 0.079 1.00 0.00 C ATOM 1060 CE2 TYR A 80 -3.193 -10.032 0.788 1.00 0.00 C ATOM 1061 CZ TYR A 80 -4.125 -10.827 0.155 1.00 0.00 C ATOM 1062 OH TYR A 80 -3.739 -12.023 -0.406 1.00 0.00 O ATOM 0 H TYR A 80 -7.824 -6.933 2.554 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.430 -8.095 3.803 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.087 -6.632 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -4.477 -6.421 1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.861 -8.918 0.580 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.853 -8.214 1.847 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.172 -11.053 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.161 -10.345 0.844 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.511 -12.624 -0.459 1.00 0.00 H new ATOM 1072 N THR A 81 -4.359 -5.941 4.677 1.00 0.00 N ATOM 1073 CA THR A 81 -3.924 -4.804 5.479 1.00 0.00 C ATOM 1074 C THR A 81 -2.676 -4.160 4.886 1.00 0.00 C ATOM 1075 O THR A 81 -1.553 -4.570 5.182 1.00 0.00 O ATOM 1076 CB THR A 81 -3.632 -5.221 6.933 1.00 0.00 C ATOM 1077 OG1 THR A 81 -4.803 -5.796 7.522 1.00 0.00 O ATOM 1078 CG2 THR A 81 -3.177 -4.026 7.757 1.00 0.00 C ATOM 0 H THR A 81 -3.662 -6.679 4.578 1.00 0.00 H new ATOM 0 HA THR A 81 -4.740 -4.082 5.474 1.00 0.00 H new ATOM 0 HB THR A 81 -2.831 -5.961 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.609 -6.060 8.446 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.977 -4.345 8.780 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.269 -3.609 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.959 -3.267 7.760 1.00 0.00 H new ATOM 1086 N LEU A 82 -2.879 -3.148 4.049 1.00 0.00 N ATOM 1087 CA LEU A 82 -1.768 -2.445 3.416 1.00 0.00 C ATOM 1088 C LEU A 82 -1.056 -1.540 4.415 1.00 0.00 C ATOM 1089 O LEU A 82 -1.685 -0.727 5.093 1.00 0.00 O ATOM 1090 CB LEU A 82 -2.272 -1.619 2.231 1.00 0.00 C ATOM 1091 CG LEU A 82 -3.323 -2.289 1.344 1.00 0.00 C ATOM 1092 CD1 LEU A 82 -4.058 -1.251 0.511 1.00 0.00 C ATOM 1093 CD2 LEU A 82 -2.677 -3.335 0.448 1.00 0.00 C ATOM 0 H LEU A 82 -3.802 -2.796 3.793 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.056 -3.189 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.689 -0.688 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.417 -1.353 1.609 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.048 -2.789 1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.802 -1.746 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.554 -0.540 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.346 -0.722 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.440 -3.801 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.930 -2.859 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.198 -4.096 1.064 1.00 0.00 H new ATOM 1105 N THR A 83 0.263 -1.684 4.500 1.00 0.00 N ATOM 1106 CA THR A 83 1.062 -0.879 5.415 1.00 0.00 C ATOM 1107 C THR A 83 2.306 -0.332 4.723 1.00 0.00 C ATOM 1108 O THR A 83 3.191 -1.090 4.328 1.00 0.00 O ATOM 1109 CB THR A 83 1.492 -1.692 6.651 1.00 0.00 C ATOM 1110 OG1 THR A 83 0.348 -2.307 7.254 1.00 0.00 O ATOM 1111 CG2 THR A 83 2.191 -0.803 7.668 1.00 0.00 C ATOM 0 H THR A 83 0.800 -2.351 3.946 1.00 0.00 H new ATOM 0 HA THR A 83 0.433 -0.049 5.737 1.00 0.00 H new ATOM 0 HB THR A 83 2.191 -2.463 6.326 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.629 -2.823 8.038 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.485 -1.400 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.077 -0.359 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.512 -0.012 7.988 1.00 0.00 H new ATOM 1119 N MET A 84 2.367 0.988 4.582 1.00 0.00 N ATOM 1120 CA MET A 84 3.504 1.636 3.939 1.00 0.00 C ATOM 1121 C MET A 84 4.150 2.654 4.874 1.00 0.00 C ATOM 1122 O MET A 84 3.468 3.495 5.460 1.00 0.00 O ATOM 1123 CB MET A 84 3.063 2.323 2.645 1.00 0.00 C ATOM 1124 CG MET A 84 4.221 2.836 1.805 1.00 0.00 C ATOM 1125 SD MET A 84 3.872 2.784 0.036 1.00 0.00 S ATOM 1126 CE MET A 84 2.266 3.575 -0.015 1.00 0.00 C ATOM 0 H MET A 84 1.643 1.630 4.904 1.00 0.00 H new ATOM 0 HA MET A 84 4.240 0.868 3.701 1.00 0.00 H new ATOM 0 HB2 MET A 84 2.477 1.621 2.052 1.00 0.00 H new ATOM 0 HB3 MET A 84 2.406 3.157 2.892 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.450 3.861 2.096 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.109 2.239 2.014 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.495 2.822 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.082 4.086 0.930 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.243 4.299 -0.829 1.00 0.00 H new ATOM 1136 N LYS A 85 5.469 2.571 5.011 1.00 0.00 N ATOM 1137 CA LYS A 85 6.208 3.485 5.874 1.00 0.00 C ATOM 1138 C LYS A 85 7.267 4.245 5.082 1.00 0.00 C ATOM 1139 O LYS A 85 8.135 3.641 4.450 1.00 0.00 O ATOM 1140 CB LYS A 85 6.867 2.715 7.020 1.00 0.00 C ATOM 1141 CG LYS A 85 5.993 2.599 8.257 1.00 0.00 C ATOM 1142 CD LYS A 85 6.828 2.471 9.520 1.00 0.00 C ATOM 1143 CE LYS A 85 7.157 1.018 9.826 1.00 0.00 C ATOM 1144 NZ LYS A 85 7.954 0.388 8.737 1.00 0.00 N ATOM 0 H LYS A 85 6.049 1.880 4.535 1.00 0.00 H new ATOM 0 HA LYS A 85 5.503 4.206 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.125 1.715 6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.800 3.210 7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.350 3.476 8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.340 1.731 8.162 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.752 3.038 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.288 2.908 10.360 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.712 0.961 10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.232 0.459 9.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.506 -0.404 9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.313 0.035 7.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.600 1.093 8.328 1.00 0.00 H new ATOM 1158 N TYR A 86 7.192 5.570 5.122 1.00 0.00 N ATOM 1159 CA TYR A 86 8.144 6.412 4.407 1.00 0.00 C ATOM 1160 C TYR A 86 9.144 7.044 5.371 1.00 0.00 C ATOM 1161 O TYR A 86 8.804 7.952 6.128 1.00 0.00 O ATOM 1162 CB TYR A 86 7.408 7.504 3.630 1.00 0.00 C ATOM 1163 CG TYR A 86 8.245 8.144 2.545 1.00 0.00 C ATOM 1164 CD1 TYR A 86 9.077 9.220 2.827 1.00 0.00 C ATOM 1165 CD2 TYR A 86 8.202 7.673 1.239 1.00 0.00 C ATOM 1166 CE1 TYR A 86 9.843 9.808 1.839 1.00 0.00 C ATOM 1167 CE2 TYR A 86 8.966 8.254 0.245 1.00 0.00 C ATOM 1168 CZ TYR A 86 9.784 9.321 0.550 1.00 0.00 C ATOM 1169 OH TYR A 86 10.545 9.904 -0.438 1.00 0.00 O ATOM 0 H TYR A 86 6.482 6.085 5.642 1.00 0.00 H new ATOM 0 HA TYR A 86 8.691 5.782 3.705 1.00 0.00 H new ATOM 0 HB2 TYR A 86 6.511 7.077 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 86 7.080 8.275 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.126 9.603 3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.561 6.839 0.996 1.00 0.00 H new ATOM 0 HE1 TYR A 86 10.484 10.644 2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 86 8.923 7.874 -0.765 1.00 0.00 H new ATOM 0 HH TYR A 86 10.388 9.441 -1.288 1.00 0.00 H new ATOM 1179 N GLY A 87 10.380 6.555 5.336 1.00 0.00 N ATOM 1180 CA GLY A 87 11.411 7.083 6.210 1.00 0.00 C ATOM 1181 C GLY A 87 11.214 6.670 7.655 1.00 0.00 C ATOM 1182 O GLY A 87 11.606 7.389 8.573 1.00 0.00 O ATOM 0 H GLY A 87 10.685 5.803 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.386 6.738 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 87 11.417 8.171 6.144 1.00 0.00 H new ATOM 1186 N GLY A 88 10.602 5.507 7.859 1.00 0.00 N ATOM 1187 CA GLY A 88 10.362 5.021 9.205 1.00 0.00 C ATOM 1188 C GLY A 88 9.076 5.562 9.797 1.00 0.00 C ATOM 1189 O GLY A 88 8.713 5.223 10.922 1.00 0.00 O ATOM 0 H GLY A 88 10.268 4.893 7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.322 3.932 9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.199 5.302 9.844 1.00 0.00 H new ATOM 1193 N GLU A 89 8.387 6.409 9.037 1.00 0.00 N ATOM 1194 CA GLU A 89 7.136 7.000 9.496 1.00 0.00 C ATOM 1195 C GLU A 89 5.977 6.593 8.589 1.00 0.00 C ATOM 1196 O GLU A 89 6.050 6.736 7.368 1.00 0.00 O ATOM 1197 CB GLU A 89 7.252 8.525 9.539 1.00 0.00 C ATOM 1198 CG GLU A 89 8.447 9.022 10.336 1.00 0.00 C ATOM 1199 CD GLU A 89 8.202 10.377 10.971 1.00 0.00 C ATOM 1200 OE1 GLU A 89 7.023 10.737 11.166 1.00 0.00 O ATOM 1201 OE2 GLU A 89 9.191 11.077 11.273 1.00 0.00 O ATOM 0 H GLU A 89 8.674 6.700 8.103 1.00 0.00 H new ATOM 0 HA GLU A 89 6.936 6.629 10.501 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.322 8.905 8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.341 8.938 9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.686 8.298 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.316 9.084 9.681 1.00 0.00 H new ATOM 1208 N LEU A 90 4.910 6.085 9.195 1.00 0.00 N ATOM 1209 CA LEU A 90 3.735 5.656 8.444 1.00 0.00 C ATOM 1210 C LEU A 90 3.151 6.813 7.640 1.00 0.00 C ATOM 1211 O LEU A 90 3.272 7.976 8.027 1.00 0.00 O ATOM 1212 CB LEU A 90 2.676 5.094 9.394 1.00 0.00 C ATOM 1213 CG LEU A 90 2.747 3.591 9.664 1.00 0.00 C ATOM 1214 CD1 LEU A 90 1.831 3.212 10.818 1.00 0.00 C ATOM 1215 CD2 LEU A 90 2.383 2.806 8.412 1.00 0.00 C ATOM 0 H LEU A 90 4.834 5.960 10.204 1.00 0.00 H new ATOM 0 HA LEU A 90 4.043 4.874 7.750 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.756 5.618 10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.692 5.323 8.986 1.00 0.00 H new ATOM 0 HG LEU A 90 3.771 3.339 9.942 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.895 2.138 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.137 3.747 11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.804 3.478 10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.439 1.738 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.369 3.062 8.104 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.080 3.055 7.611 1.00 0.00 H new ATOM 1227 N VAL A 91 2.516 6.487 6.519 1.00 0.00 N ATOM 1228 CA VAL A 91 1.910 7.498 5.661 1.00 0.00 C ATOM 1229 C VAL A 91 0.444 7.717 6.020 1.00 0.00 C ATOM 1230 O VAL A 91 -0.196 6.879 6.655 1.00 0.00 O ATOM 1231 CB VAL A 91 2.010 7.107 4.175 1.00 0.00 C ATOM 1232 CG1 VAL A 91 3.278 7.676 3.557 1.00 0.00 C ATOM 1233 CG2 VAL A 91 1.963 5.595 4.018 1.00 0.00 C ATOM 0 H VAL A 91 2.408 5.530 6.184 1.00 0.00 H new ATOM 0 HA VAL A 91 2.463 8.423 5.823 1.00 0.00 H new ATOM 0 HB VAL A 91 1.156 7.531 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.331 7.389 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.265 8.763 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.148 7.284 4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.035 5.336 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.797 5.147 4.559 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.024 5.216 4.421 1.00 0.00 H new ATOM 1243 N PRO A 92 -0.101 8.870 5.605 1.00 0.00 N ATOM 1244 CA PRO A 92 -1.498 9.225 5.871 1.00 0.00 C ATOM 1245 C PRO A 92 -2.476 8.364 5.079 1.00 0.00 C ATOM 1246 O PRO A 92 -3.688 8.576 5.131 1.00 0.00 O ATOM 1247 CB PRO A 92 -1.585 10.685 5.418 1.00 0.00 C ATOM 1248 CG PRO A 92 -0.503 10.832 4.404 1.00 0.00 C ATOM 1249 CD PRO A 92 0.604 9.914 4.843 1.00 0.00 C ATOM 0 HA PRO A 92 -1.765 9.071 6.916 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.562 10.909 4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.439 11.368 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.861 10.564 3.410 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.156 11.864 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.141 9.496 3.991 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.338 10.435 5.459 1.00 0.00 H new ATOM 1257 N HIS A 93 -1.943 7.390 4.348 1.00 0.00 N ATOM 1258 CA HIS A 93 -2.769 6.495 3.546 1.00 0.00 C ATOM 1259 C HIS A 93 -2.623 5.052 4.018 1.00 0.00 C ATOM 1260 O HIS A 93 -3.050 4.119 3.337 1.00 0.00 O ATOM 1261 CB HIS A 93 -2.390 6.603 2.069 1.00 0.00 C ATOM 1262 CG HIS A 93 -2.320 8.013 1.569 1.00 0.00 C ATOM 1263 ND1 HIS A 93 -3.277 8.569 0.747 1.00 0.00 N ATOM 1264 CD2 HIS A 93 -1.399 8.982 1.782 1.00 0.00 C ATOM 1265 CE1 HIS A 93 -2.947 9.819 0.474 1.00 0.00 C ATOM 1266 NE2 HIS A 93 -1.812 10.094 1.090 1.00 0.00 N ATOM 0 H HIS A 93 -0.942 7.201 4.295 1.00 0.00 H new ATOM 0 HA HIS A 93 -3.810 6.794 3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -1.423 6.123 1.915 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.118 6.051 1.474 1.00 0.00 H new ATOM 0 HD1 HIS A 93 -4.110 8.090 0.403 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.506 8.897 2.384 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -3.510 10.500 -0.147 1.00 0.00 H new ATOM 1275 N PHE A 94 -2.016 4.875 5.187 1.00 0.00 N ATOM 1276 CA PHE A 94 -1.811 3.545 5.748 1.00 0.00 C ATOM 1277 C PHE A 94 -1.755 3.601 7.272 1.00 0.00 C ATOM 1278 O PHE A 94 -1.376 4.609 7.868 1.00 0.00 O ATOM 1279 CB PHE A 94 -0.521 2.930 5.202 1.00 0.00 C ATOM 1280 CG PHE A 94 -0.506 2.801 3.705 1.00 0.00 C ATOM 1281 CD1 PHE A 94 -0.394 3.924 2.901 1.00 0.00 C ATOM 1282 CD2 PHE A 94 -0.602 1.557 3.103 1.00 0.00 C ATOM 1283 CE1 PHE A 94 -0.380 3.808 1.524 1.00 0.00 C ATOM 1284 CE2 PHE A 94 -0.589 1.435 1.726 1.00 0.00 C ATOM 1285 CZ PHE A 94 -0.477 2.562 0.936 1.00 0.00 C ATOM 0 H PHE A 94 -1.658 5.636 5.764 1.00 0.00 H new ATOM 0 HA PHE A 94 -2.655 2.921 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 94 0.325 3.542 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -0.382 1.944 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -0.317 4.901 3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -0.688 0.672 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -0.293 4.691 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.666 0.460 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.465 2.469 -0.140 1.00 0.00 H new ATOM 1295 N PRO A 95 -2.143 2.492 7.919 1.00 0.00 N ATOM 1296 CA PRO A 95 -2.597 1.286 7.221 1.00 0.00 C ATOM 1297 C PRO A 95 -3.949 1.482 6.544 1.00 0.00 C ATOM 1298 O PRO A 95 -4.781 2.260 7.012 1.00 0.00 O ATOM 1299 CB PRO A 95 -2.704 0.247 8.339 1.00 0.00 C ATOM 1300 CG PRO A 95 -2.925 1.045 9.578 1.00 0.00 C ATOM 1301 CD PRO A 95 -2.168 2.330 9.383 1.00 0.00 C ATOM 0 HA PRO A 95 -1.917 1.000 6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.528 -0.443 8.160 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.796 -0.352 8.411 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.986 1.237 9.734 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.565 0.509 10.457 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.666 3.168 9.872 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.162 2.271 9.798 1.00 0.00 H new ATOM 1309 N ALA A 96 -4.163 0.772 5.442 1.00 0.00 N ATOM 1310 CA ALA A 96 -5.416 0.867 4.703 1.00 0.00 C ATOM 1311 C ALA A 96 -5.990 -0.516 4.415 1.00 0.00 C ATOM 1312 O ALA A 96 -5.282 -1.406 3.941 1.00 0.00 O ATOM 1313 CB ALA A 96 -5.207 1.634 3.406 1.00 0.00 C ATOM 0 H ALA A 96 -3.485 0.124 5.041 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.133 1.408 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.151 1.697 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.850 2.639 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.470 1.116 2.792 1.00 0.00 H new ATOM 1319 N ARG A 97 -7.275 -0.691 4.705 1.00 0.00 N ATOM 1320 CA ARG A 97 -7.943 -1.967 4.479 1.00 0.00 C ATOM 1321 C ARG A 97 -8.635 -1.985 3.120 1.00 0.00 C ATOM 1322 O ARG A 97 -9.308 -1.026 2.741 1.00 0.00 O ATOM 1323 CB ARG A 97 -8.962 -2.237 5.587 1.00 0.00 C ATOM 1324 CG ARG A 97 -10.153 -1.292 5.562 1.00 0.00 C ATOM 1325 CD ARG A 97 -11.313 -1.878 4.772 1.00 0.00 C ATOM 1326 NE ARG A 97 -12.589 -1.275 5.145 1.00 0.00 N ATOM 1327 CZ ARG A 97 -13.767 -1.837 4.899 1.00 0.00 C ATOM 1328 NH1 ARG A 97 -13.831 -3.009 4.284 1.00 0.00 N ATOM 1329 NH2 ARG A 97 -14.886 -1.225 5.269 1.00 0.00 N ATOM 0 H ARG A 97 -7.875 0.035 5.097 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.187 -2.752 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -9.321 -3.262 5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.465 -2.156 6.554 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -10.475 -1.083 6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -9.855 -0.341 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -11.139 -1.728 3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.358 -2.954 4.939 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.575 -0.373 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.974 -3.482 3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.737 -3.438 4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.841 -0.323 5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.790 -1.657 5.080 1.00 0.00 H new ATOM 1343 N VAL A 98 -8.466 -3.082 2.389 1.00 0.00 N ATOM 1344 CA VAL A 98 -9.075 -3.225 1.072 1.00 0.00 C ATOM 1345 C VAL A 98 -9.654 -4.623 0.883 1.00 0.00 C ATOM 1346 O VAL A 98 -8.950 -5.623 1.023 1.00 0.00 O ATOM 1347 CB VAL A 98 -8.058 -2.947 -0.050 1.00 0.00 C ATOM 1348 CG1 VAL A 98 -8.717 -3.082 -1.414 1.00 0.00 C ATOM 1349 CG2 VAL A 98 -7.443 -1.566 0.119 1.00 0.00 C ATOM 0 H VAL A 98 -7.912 -3.885 2.687 1.00 0.00 H new ATOM 0 HA VAL A 98 -9.879 -2.491 1.014 1.00 0.00 H new ATOM 0 HB VAL A 98 -7.260 -3.686 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.983 -2.882 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.105 -4.094 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.536 -2.367 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -6.727 -1.386 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -8.228 -0.811 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.933 -1.510 1.081 1.00 0.00 H new ATOM 1359 N LYS A 99 -10.942 -4.686 0.564 1.00 0.00 N ATOM 1360 CA LYS A 99 -11.618 -5.961 0.354 1.00 0.00 C ATOM 1361 C LYS A 99 -11.237 -6.562 -0.996 1.00 0.00 C ATOM 1362 O LYS A 99 -11.516 -5.983 -2.046 1.00 0.00 O ATOM 1363 CB LYS A 99 -13.135 -5.777 0.432 1.00 0.00 C ATOM 1364 CG LYS A 99 -13.911 -7.079 0.338 1.00 0.00 C ATOM 1365 CD LYS A 99 -15.411 -6.837 0.361 1.00 0.00 C ATOM 1366 CE LYS A 99 -15.906 -6.537 1.767 1.00 0.00 C ATOM 1367 NZ LYS A 99 -15.703 -5.107 2.133 1.00 0.00 N ATOM 0 H LYS A 99 -11.540 -3.868 0.445 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.301 -6.646 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -13.385 -5.282 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.454 -5.115 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.640 -7.600 -0.580 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.634 -7.730 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.656 -6.004 -0.298 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -15.928 -7.714 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -16.965 -6.784 1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.381 -7.173 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.959 -5.036 2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.418 -4.570 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -16.590 -4.716 2.510 1.00 0.00 H new ATOM 1381 N VAL A 100 -10.599 -7.728 -0.961 1.00 0.00 N ATOM 1382 CA VAL A 100 -10.183 -8.409 -2.181 1.00 0.00 C ATOM 1383 C VAL A 100 -11.125 -9.560 -2.517 1.00 0.00 C ATOM 1384 O VAL A 100 -11.492 -10.347 -1.646 1.00 0.00 O ATOM 1385 CB VAL A 100 -8.748 -8.954 -2.058 1.00 0.00 C ATOM 1386 CG1 VAL A 100 -8.441 -9.913 -3.197 1.00 0.00 C ATOM 1387 CG2 VAL A 100 -7.745 -7.811 -2.028 1.00 0.00 C ATOM 0 H VAL A 100 -10.359 -8.220 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.216 -7.671 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.666 -9.504 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.423 -10.288 -3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.140 -10.749 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.540 -9.391 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.736 -8.214 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.826 -7.232 -2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -7.953 -7.167 -1.174 1.00 0.00 H new ATOM 1397 N GLU A 101 -11.511 -9.650 -3.785 1.00 0.00 N ATOM 1398 CA GLU A 101 -12.411 -10.705 -4.236 1.00 0.00 C ATOM 1399 C GLU A 101 -11.627 -11.869 -4.836 1.00 0.00 C ATOM 1400 O GLU A 101 -10.505 -11.712 -5.317 1.00 0.00 O ATOM 1401 CB GLU A 101 -13.400 -10.157 -5.266 1.00 0.00 C ATOM 1402 CG GLU A 101 -14.600 -9.460 -4.647 1.00 0.00 C ATOM 1403 CD GLU A 101 -15.684 -9.153 -5.662 1.00 0.00 C ATOM 1404 OE1 GLU A 101 -16.070 -10.072 -6.414 1.00 0.00 O ATOM 1405 OE2 GLU A 101 -16.146 -7.993 -5.705 1.00 0.00 O ATOM 0 H GLU A 101 -11.215 -9.006 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.964 -11.070 -3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.880 -9.456 -5.919 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.750 -10.977 -5.893 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -15.014 -10.088 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.274 -8.532 -4.177 1.00 0.00 H new ATOM 1412 N PRO A 102 -12.232 -13.066 -4.808 1.00 0.00 N ATOM 1413 CA PRO A 102 -11.610 -14.280 -5.345 1.00 0.00 C ATOM 1414 C PRO A 102 -11.511 -14.257 -6.866 1.00 0.00 C ATOM 1415 O PRO A 102 -12.260 -13.546 -7.536 1.00 0.00 O ATOM 1416 CB PRO A 102 -12.554 -15.394 -4.888 1.00 0.00 C ATOM 1417 CG PRO A 102 -13.873 -14.725 -4.712 1.00 0.00 C ATOM 1418 CD PRO A 102 -13.570 -13.326 -4.251 1.00 0.00 C ATOM 0 HA PRO A 102 -10.585 -14.401 -4.996 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.611 -16.193 -5.628 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.212 -15.846 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -14.433 -14.715 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -14.484 -15.253 -3.980 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -14.306 -12.612 -4.622 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.574 -13.251 -3.164 1.00 0.00 H new ATOM 1426 N ALA A 103 -10.581 -15.038 -7.406 1.00 0.00 N ATOM 1427 CA ALA A 103 -10.386 -15.108 -8.849 1.00 0.00 C ATOM 1428 C ALA A 103 -11.383 -16.067 -9.492 1.00 0.00 C ATOM 1429 O ALA A 103 -11.008 -16.921 -10.296 1.00 0.00 O ATOM 1430 CB ALA A 103 -8.960 -15.533 -9.169 1.00 0.00 C ATOM 0 H ALA A 103 -9.951 -15.631 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.559 -14.115 -9.263 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.829 -15.581 -10.250 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.262 -14.808 -8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.767 -16.515 -8.736 1.00 0.00 H new