USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 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 22 THR OG1 : rot -130:sc= -0.45 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0.00182 USER MOD Set 1.3: A 55 GLN : amide:sc= -0.499 X(o=-0.95,f=-0.64) USER MOD Set 2.1: A 18 SER OG : rot -109:sc= 0.465 USER MOD Set 2.2: A 20 CYS SG : rot -177:sc= 0.771 USER MOD Set 3.1: A 3 THR OG1 : rot 47:sc= 1.28 USER MOD Set 3.2: A 35 SER OG : rot -110:sc= 1.05 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 102:sc= 1.26 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.62 K(o=-0.62,f=0) USER MOD Single : A 29 THR OG1 : rot 130:sc= -0.089 USER MOD Single : A 30 GLN : amide:sc= -0.95 X(o=-0.95,f=-0.72) USER MOD Single : A 31 THR OG1 : rot 140:sc= -0.724 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 115:sc= 0.895 USER MOD Single : A 36 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.3!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 38:sc= -0.826 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -160:sc= -0.613 USER MOD Single : A 71 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.59) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0601 USER MOD Single : A 77 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-4.2) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.701 USER MOD Single : A 89 SER OG : rot -45:sc= 0.239 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 25:sc= 0.143 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.726 1.588 -0.525 1.00 43.34 N ATOM 2 CA PRO A 1 2.516 1.423 -1.750 1.00 34.15 C ATOM 3 C PRO A 1 2.182 0.129 -2.484 1.00 51.01 C ATOM 4 O PRO A 1 1.333 -0.646 -2.042 1.00 72.45 O ATOM 5 CB PRO A 1 3.959 1.392 -1.240 1.00 34.53 C ATOM 6 CG PRO A 1 3.853 0.915 0.168 1.00 53.02 C ATOM 7 CD PRO A 1 2.548 1.450 0.689 1.00 34.11 C ATOM 0 H2 PRO A 1 0.978 0.894 -0.508 1.00 43.34 H new ATOM 0 H3 PRO A 1 1.281 2.506 -0.530 1.00 43.34 H new ATOM 0 HA PRO A 1 2.322 2.217 -2.471 1.00 34.15 H new ATOM 0 HB2 PRO A 1 4.576 0.723 -1.839 1.00 34.53 H new ATOM 0 HB3 PRO A 1 4.418 2.379 -1.290 1.00 34.53 H new ATOM 0 HG2 PRO A 1 3.875 -0.174 0.214 1.00 53.02 H new ATOM 0 HG3 PRO A 1 4.690 1.276 0.766 1.00 53.02 H new ATOM 0 HD2 PRO A 1 2.092 0.768 1.407 1.00 34.11 H new ATOM 0 HD3 PRO A 1 2.679 2.406 1.196 1.00 34.11 H new ATOM 15 N LEU A 2 2.855 -0.099 -3.607 1.00 12.05 N ATOM 16 CA LEU A 2 2.630 -1.300 -4.403 1.00 31.52 C ATOM 17 C LEU A 2 3.736 -1.483 -5.437 1.00 22.31 C ATOM 18 O LEU A 2 4.372 -0.517 -5.860 1.00 73.14 O ATOM 19 CB LEU A 2 1.271 -1.227 -5.101 1.00 12.43 C ATOM 20 CG LEU A 2 0.245 -2.282 -4.686 1.00 61.21 C ATOM 21 CD1 LEU A 2 -1.109 -1.639 -4.432 1.00 34.34 C ATOM 22 CD2 LEU A 2 0.133 -3.364 -5.751 1.00 14.42 C ATOM 0 H LEU A 2 3.561 0.532 -3.986 1.00 12.05 H new ATOM 0 HA LEU A 2 2.640 -2.158 -3.731 1.00 31.52 H new ATOM 0 HB2 LEU A 2 0.843 -0.241 -4.917 1.00 12.43 H new ATOM 0 HB3 LEU A 2 1.432 -1.309 -6.176 1.00 12.43 H new ATOM 0 HG LEU A 2 0.583 -2.746 -3.759 1.00 61.21 H new ATOM 0 HD11 LEU A 2 -1.826 -2.405 -4.138 1.00 34.34 H new ATOM 0 HD12 LEU A 2 -1.018 -0.902 -3.634 1.00 34.34 H new ATOM 0 HD13 LEU A 2 -1.455 -1.148 -5.342 1.00 34.34 H new ATOM 0 HD21 LEU A 2 -0.601 -4.107 -5.439 1.00 14.42 H new ATOM 0 HD22 LEU A 2 -0.182 -2.916 -6.693 1.00 14.42 H new ATOM 0 HD23 LEU A 2 1.102 -3.845 -5.884 1.00 14.42 H new ATOM 34 N THR A 3 3.961 -2.730 -5.842 1.00 55.51 N ATOM 35 CA THR A 3 4.989 -3.039 -6.827 1.00 73.44 C ATOM 36 C THR A 3 4.431 -3.906 -7.950 1.00 73.33 C ATOM 37 O THR A 3 3.331 -4.448 -7.841 1.00 14.11 O ATOM 38 CB THR A 3 6.185 -3.763 -6.182 1.00 25.22 C ATOM 39 OG1 THR A 3 7.338 -3.650 -7.023 1.00 45.14 O ATOM 40 CG2 THR A 3 5.866 -5.232 -5.945 1.00 43.42 C ATOM 0 H THR A 3 3.445 -3.541 -5.502 1.00 55.51 H new ATOM 0 HA THR A 3 5.328 -2.088 -7.239 1.00 73.44 H new ATOM 0 HB THR A 3 6.390 -3.293 -5.220 1.00 25.22 H new ATOM 0 HG1 THR A 3 7.436 -2.721 -7.320 1.00 45.14 H new ATOM 0 HG21 THR A 3 6.726 -5.722 -5.489 1.00 43.42 H new ATOM 0 HG22 THR A 3 5.006 -5.315 -5.280 1.00 43.42 H new ATOM 0 HG23 THR A 3 5.637 -5.713 -6.896 1.00 43.42 H new ATOM 48 N ARG A 4 5.196 -4.034 -9.029 1.00 63.11 N ATOM 49 CA ARG A 4 4.777 -4.835 -10.173 1.00 23.43 C ATOM 50 C ARG A 4 5.304 -6.263 -10.059 1.00 3.14 C ATOM 51 O ARG A 4 6.252 -6.544 -9.325 1.00 20.13 O ATOM 52 CB ARG A 4 5.270 -4.201 -11.475 1.00 32.12 C ATOM 53 CG ARG A 4 4.201 -3.407 -12.207 1.00 41.54 C ATOM 54 CD ARG A 4 4.421 -3.432 -13.712 1.00 30.51 C ATOM 55 NE ARG A 4 3.346 -2.757 -14.434 1.00 3.42 N ATOM 56 CZ ARG A 4 3.226 -2.773 -15.757 1.00 34.44 C ATOM 57 NH1 ARG A 4 4.108 -3.429 -16.498 1.00 2.32 N ATOM 58 NH2 ARG A 4 2.220 -2.134 -16.340 1.00 70.24 N ATOM 0 H ARG A 4 6.110 -3.593 -9.135 1.00 63.11 H new ATOM 0 HA ARG A 4 3.688 -4.867 -10.182 1.00 23.43 H new ATOM 0 HB2 ARG A 4 6.111 -3.544 -11.254 1.00 32.12 H new ATOM 0 HB3 ARG A 4 5.643 -4.986 -12.133 1.00 32.12 H new ATOM 0 HG2 ARG A 4 3.218 -3.818 -11.975 1.00 41.54 H new ATOM 0 HG3 ARG A 4 4.207 -2.376 -11.854 1.00 41.54 H new ATOM 0 HD2 ARG A 4 5.372 -2.954 -13.947 1.00 30.51 H new ATOM 0 HD3 ARG A 4 4.492 -4.466 -14.051 1.00 30.51 H new ATOM 0 HE ARG A 4 2.649 -2.245 -13.893 1.00 3.42 H new ATOM 0 HH11 ARG A 4 4.881 -3.923 -16.053 1.00 2.32 H new ATOM 0 HH12 ARG A 4 4.013 -3.440 -17.514 1.00 2.32 H new ATOM 0 HH21 ARG A 4 1.538 -1.630 -15.772 1.00 70.24 H new ATOM 0 HH22 ARG A 4 2.128 -2.146 -17.356 1.00 70.24 H new ATOM 72 N PRO A 5 4.676 -7.187 -10.801 1.00 4.21 N ATOM 73 CA PRO A 5 5.065 -8.600 -10.800 1.00 73.43 C ATOM 74 C PRO A 5 6.412 -8.832 -11.476 1.00 1.31 C ATOM 75 O PRO A 5 6.475 -9.287 -12.618 1.00 73.11 O ATOM 76 CB PRO A 5 3.945 -9.276 -11.595 1.00 72.25 C ATOM 77 CG PRO A 5 3.404 -8.203 -12.476 1.00 2.23 C ATOM 78 CD PRO A 5 3.539 -6.923 -11.698 1.00 42.34 C ATOM 0 HA PRO A 5 5.184 -8.989 -9.789 1.00 73.43 H new ATOM 0 HB2 PRO A 5 4.325 -10.114 -12.179 1.00 72.25 H new ATOM 0 HB3 PRO A 5 3.174 -9.672 -10.934 1.00 72.25 H new ATOM 0 HG2 PRO A 5 3.958 -8.151 -13.413 1.00 2.23 H new ATOM 0 HG3 PRO A 5 2.362 -8.396 -12.732 1.00 2.23 H new ATOM 0 HD2 PRO A 5 3.733 -6.073 -12.353 1.00 42.34 H new ATOM 0 HD3 PRO A 5 2.631 -6.695 -11.140 1.00 42.34 H new ATOM 86 N TYR A 6 7.488 -8.516 -10.763 1.00 53.44 N ATOM 87 CA TYR A 6 8.834 -8.687 -11.295 1.00 63.44 C ATOM 88 C TYR A 6 9.674 -9.570 -10.377 1.00 62.44 C ATOM 89 O TYR A 6 9.508 -9.553 -9.157 1.00 43.10 O ATOM 90 CB TYR A 6 9.512 -7.328 -11.474 1.00 1.23 C ATOM 91 CG TYR A 6 9.696 -6.928 -12.920 1.00 54.23 C ATOM 92 CD1 TYR A 6 8.927 -5.917 -13.485 1.00 2.24 C ATOM 93 CD2 TYR A 6 10.636 -7.561 -13.723 1.00 23.01 C ATOM 94 CE1 TYR A 6 9.091 -5.548 -14.806 1.00 33.31 C ATOM 95 CE2 TYR A 6 10.808 -7.198 -15.045 1.00 33.13 C ATOM 96 CZ TYR A 6 10.033 -6.192 -15.582 1.00 15.53 C ATOM 97 OH TYR A 6 10.199 -5.828 -16.898 1.00 62.14 O ATOM 0 H TYR A 6 7.454 -8.140 -9.815 1.00 53.44 H new ATOM 0 HA TYR A 6 8.754 -9.175 -12.266 1.00 63.44 H new ATOM 0 HB2 TYR A 6 8.919 -6.566 -10.968 1.00 1.23 H new ATOM 0 HB3 TYR A 6 10.486 -7.350 -10.985 1.00 1.23 H new ATOM 0 HD1 TYR A 6 8.189 -5.411 -12.881 1.00 2.24 H new ATOM 0 HD2 TYR A 6 11.243 -8.351 -13.307 1.00 23.01 H new ATOM 0 HE1 TYR A 6 8.486 -4.760 -15.229 1.00 33.31 H new ATOM 0 HE2 TYR A 6 11.545 -7.699 -15.654 1.00 33.13 H new ATOM 0 HH TYR A 6 10.902 -6.377 -17.303 1.00 62.14 H new ATOM 107 N LEU A 7 10.577 -10.342 -10.973 1.00 50.52 N ATOM 108 CA LEU A 7 11.445 -11.232 -10.211 1.00 21.22 C ATOM 109 C LEU A 7 12.903 -10.800 -10.324 1.00 44.32 C ATOM 110 O LEU A 7 13.416 -10.592 -11.423 1.00 3.11 O ATOM 111 CB LEU A 7 11.289 -12.672 -10.702 1.00 33.42 C ATOM 112 CG LEU A 7 11.583 -12.912 -12.183 1.00 73.21 C ATOM 113 CD1 LEU A 7 12.781 -13.834 -12.347 1.00 44.30 C ATOM 114 CD2 LEU A 7 10.362 -13.493 -12.882 1.00 51.40 C ATOM 0 H LEU A 7 10.727 -10.369 -11.982 1.00 50.52 H new ATOM 0 HA LEU A 7 11.149 -11.177 -9.163 1.00 21.22 H new ATOM 0 HB2 LEU A 7 11.949 -13.309 -10.113 1.00 33.42 H new ATOM 0 HB3 LEU A 7 10.268 -12.996 -10.498 1.00 33.42 H new ATOM 0 HG LEU A 7 11.821 -11.954 -12.646 1.00 73.21 H new ATOM 0 HD11 LEU A 7 12.975 -13.993 -13.408 1.00 44.30 H new ATOM 0 HD12 LEU A 7 13.656 -13.380 -11.882 1.00 44.30 H new ATOM 0 HD13 LEU A 7 12.572 -14.791 -11.869 1.00 44.30 H new ATOM 0 HD21 LEU A 7 10.590 -13.657 -13.935 1.00 51.40 H new ATOM 0 HD22 LEU A 7 10.093 -14.441 -12.417 1.00 51.40 H new ATOM 0 HD23 LEU A 7 9.528 -12.797 -12.795 1.00 51.40 H new ATOM 126 N GLY A 8 13.567 -10.668 -9.180 1.00 2.14 N ATOM 127 CA GLY A 8 14.961 -10.263 -9.173 1.00 32.14 C ATOM 128 C GLY A 8 15.837 -11.216 -8.385 1.00 25.32 C ATOM 129 O GLY A 8 16.818 -10.802 -7.766 1.00 40.02 O ATOM 0 H GLY A 8 13.165 -10.834 -8.258 1.00 2.14 H new ATOM 0 HA2 GLY A 8 15.324 -10.204 -10.199 1.00 32.14 H new ATOM 0 HA3 GLY A 8 15.044 -9.263 -8.748 1.00 32.14 H new ATOM 133 N PHE A 9 15.484 -12.497 -8.405 1.00 73.13 N ATOM 134 CA PHE A 9 16.244 -13.512 -7.685 1.00 40.22 C ATOM 135 C PHE A 9 15.708 -14.909 -7.986 1.00 43.53 C ATOM 136 O PHE A 9 14.637 -15.061 -8.574 1.00 1.34 O ATOM 137 CB PHE A 9 16.190 -13.247 -6.179 1.00 43.52 C ATOM 138 CG PHE A 9 14.850 -13.538 -5.567 1.00 23.14 C ATOM 139 CD1 PHE A 9 13.799 -12.648 -5.713 1.00 35.13 C ATOM 140 CD2 PHE A 9 14.643 -14.702 -4.844 1.00 13.00 C ATOM 141 CE1 PHE A 9 12.564 -12.913 -5.151 1.00 30.45 C ATOM 142 CE2 PHE A 9 13.410 -14.973 -4.280 1.00 3.10 C ATOM 143 CZ PHE A 9 12.370 -14.077 -4.432 1.00 61.03 C ATOM 0 H PHE A 9 14.676 -12.857 -8.912 1.00 73.13 H new ATOM 0 HA PHE A 9 17.280 -13.459 -8.020 1.00 40.22 H new ATOM 0 HB2 PHE A 9 16.947 -13.856 -5.684 1.00 43.52 H new ATOM 0 HB3 PHE A 9 16.447 -12.204 -5.992 1.00 43.52 H new ATOM 0 HD1 PHE A 9 13.946 -11.736 -6.273 1.00 35.13 H new ATOM 0 HD2 PHE A 9 15.453 -15.405 -4.720 1.00 13.00 H new ATOM 0 HE1 PHE A 9 11.752 -12.211 -5.274 1.00 30.45 H new ATOM 0 HE2 PHE A 9 13.260 -15.885 -3.721 1.00 3.10 H new ATOM 0 HZ PHE A 9 11.407 -14.286 -3.990 1.00 61.03 H new ATOM 153 N ARG A 10 16.462 -15.925 -7.580 1.00 70.03 N ATOM 154 CA ARG A 10 16.065 -17.309 -7.808 1.00 32.22 C ATOM 155 C ARG A 10 15.776 -18.016 -6.487 1.00 15.03 C ATOM 156 O ARG A 10 16.381 -17.707 -5.460 1.00 35.41 O ATOM 157 CB ARG A 10 17.160 -18.058 -8.570 1.00 11.32 C ATOM 158 CG ARG A 10 16.984 -18.023 -10.079 1.00 43.11 C ATOM 159 CD ARG A 10 16.792 -19.419 -10.650 1.00 34.21 C ATOM 160 NE ARG A 10 16.230 -19.387 -11.998 1.00 3.22 N ATOM 161 CZ ARG A 10 15.918 -20.477 -12.690 1.00 43.43 C ATOM 162 NH1 ARG A 10 16.111 -21.678 -12.164 1.00 65.23 N ATOM 163 NH2 ARG A 10 15.411 -20.366 -13.911 1.00 43.45 N ATOM 0 H ARG A 10 17.351 -15.816 -7.092 1.00 70.03 H new ATOM 0 HA ARG A 10 15.154 -17.305 -8.406 1.00 32.22 H new ATOM 0 HB2 ARG A 10 18.128 -17.627 -8.315 1.00 11.32 H new ATOM 0 HB3 ARG A 10 17.176 -19.096 -8.239 1.00 11.32 H new ATOM 0 HG2 ARG A 10 16.123 -17.404 -10.332 1.00 43.11 H new ATOM 0 HG3 ARG A 10 17.857 -17.558 -10.538 1.00 43.11 H new ATOM 0 HD2 ARG A 10 17.750 -19.938 -10.669 1.00 34.21 H new ATOM 0 HD3 ARG A 10 16.133 -19.991 -9.996 1.00 34.21 H new ATOM 0 HE ARG A 10 16.068 -18.478 -12.432 1.00 3.22 H new ATOM 0 HH11 ARG A 10 16.500 -21.767 -11.225 1.00 65.23 H new ATOM 0 HH12 ARG A 10 15.870 -22.513 -12.698 1.00 65.23 H new ATOM 0 HH21 ARG A 10 15.261 -19.443 -14.319 1.00 43.45 H new ATOM 0 HH22 ARG A 10 15.172 -21.203 -14.442 1.00 43.45 H new ATOM 177 N VAL A 11 14.846 -18.966 -6.521 1.00 0.34 N ATOM 178 CA VAL A 11 14.477 -19.717 -5.327 1.00 15.21 C ATOM 179 C VAL A 11 14.375 -21.208 -5.626 1.00 31.34 C ATOM 180 O VAL A 11 13.680 -21.620 -6.554 1.00 41.32 O ATOM 181 CB VAL A 11 13.135 -19.228 -4.749 1.00 3.43 C ATOM 182 CG1 VAL A 11 12.025 -19.372 -5.779 1.00 4.43 C ATOM 183 CG2 VAL A 11 12.795 -19.989 -3.476 1.00 40.42 C ATOM 0 H VAL A 11 14.335 -19.233 -7.362 1.00 0.34 H new ATOM 0 HA VAL A 11 15.264 -19.549 -4.592 1.00 15.21 H new ATOM 0 HB VAL A 11 13.230 -18.171 -4.499 1.00 3.43 H new ATOM 0 HG11 VAL A 11 11.085 -19.022 -5.352 1.00 4.43 H new ATOM 0 HG12 VAL A 11 12.267 -18.778 -6.660 1.00 4.43 H new ATOM 0 HG13 VAL A 11 11.926 -20.420 -6.063 1.00 4.43 H new ATOM 0 HG21 VAL A 11 11.844 -19.631 -3.081 1.00 40.42 H new ATOM 0 HG22 VAL A 11 12.718 -21.053 -3.698 1.00 40.42 H new ATOM 0 HG23 VAL A 11 13.579 -19.828 -2.736 1.00 40.42 H new ATOM 193 N ALA A 12 15.072 -22.014 -4.831 1.00 62.14 N ATOM 194 CA ALA A 12 15.059 -23.461 -5.009 1.00 14.20 C ATOM 195 C ALA A 12 14.505 -24.160 -3.772 1.00 63.52 C ATOM 196 O ALA A 12 15.034 -24.007 -2.671 1.00 13.31 O ATOM 197 CB ALA A 12 16.459 -23.967 -5.322 1.00 72.23 C ATOM 0 H ALA A 12 15.653 -21.689 -4.058 1.00 62.14 H new ATOM 0 HA ALA A 12 14.405 -23.694 -5.849 1.00 14.20 H new ATOM 0 HB1 ALA A 12 16.434 -25.049 -5.452 1.00 72.23 H new ATOM 0 HB2 ALA A 12 16.818 -23.499 -6.239 1.00 72.23 H new ATOM 0 HB3 ALA A 12 17.129 -23.716 -4.500 1.00 72.23 H new ATOM 203 N VAL A 13 13.438 -24.929 -3.961 1.00 35.41 N ATOM 204 CA VAL A 13 12.813 -25.653 -2.860 1.00 74.33 C ATOM 205 C VAL A 13 13.578 -26.932 -2.539 1.00 74.32 C ATOM 206 O VAL A 13 13.847 -27.745 -3.422 1.00 63.24 O ATOM 207 CB VAL A 13 11.349 -26.010 -3.183 1.00 24.54 C ATOM 208 CG1 VAL A 13 11.264 -26.787 -4.488 1.00 1.12 C ATOM 209 CG2 VAL A 13 10.731 -26.802 -2.040 1.00 73.03 C ATOM 0 H VAL A 13 12.988 -25.067 -4.866 1.00 35.41 H new ATOM 0 HA VAL A 13 12.836 -24.993 -1.993 1.00 74.33 H new ATOM 0 HB VAL A 13 10.785 -25.085 -3.302 1.00 24.54 H new ATOM 0 HG11 VAL A 13 10.223 -27.030 -4.699 1.00 1.12 H new ATOM 0 HG12 VAL A 13 11.667 -26.181 -5.299 1.00 1.12 H new ATOM 0 HG13 VAL A 13 11.841 -27.708 -4.402 1.00 1.12 H new ATOM 0 HG21 VAL A 13 9.697 -27.046 -2.284 1.00 73.03 H new ATOM 0 HG22 VAL A 13 11.295 -27.722 -1.888 1.00 73.03 H new ATOM 0 HG23 VAL A 13 10.758 -26.206 -1.128 1.00 73.03 H new ATOM 219 N GLY A 14 13.925 -27.105 -1.267 1.00 54.52 N ATOM 220 CA GLY A 14 14.655 -28.287 -0.851 1.00 62.42 C ATOM 221 C GLY A 14 14.426 -28.627 0.608 1.00 33.30 C ATOM 222 O GLY A 14 13.439 -28.197 1.205 1.00 53.32 O ATOM 0 H GLY A 14 13.713 -26.447 -0.517 1.00 54.52 H new ATOM 0 HA2 GLY A 14 14.354 -29.133 -1.469 1.00 62.42 H new ATOM 0 HA3 GLY A 14 15.720 -28.131 -1.022 1.00 62.42 H new ATOM 226 N ARG A 15 15.338 -29.403 1.184 1.00 61.21 N ATOM 227 CA ARG A 15 15.229 -29.803 2.582 1.00 73.24 C ATOM 228 C ARG A 15 16.557 -29.610 3.308 1.00 54.10 C ATOM 229 O ARG A 15 17.619 -29.934 2.777 1.00 40.11 O ATOM 230 CB ARG A 15 14.788 -31.265 2.683 1.00 13.50 C ATOM 231 CG ARG A 15 13.319 -31.434 3.036 1.00 22.44 C ATOM 232 CD ARG A 15 12.434 -31.333 1.804 1.00 43.21 C ATOM 233 NE ARG A 15 11.457 -32.417 1.741 1.00 44.43 N ATOM 234 CZ ARG A 15 11.760 -33.659 1.380 1.00 1.22 C ATOM 235 NH1 ARG A 15 13.006 -33.973 1.053 1.00 40.42 N ATOM 236 NH2 ARG A 15 10.816 -34.590 1.347 1.00 34.21 N ATOM 0 H ARG A 15 16.161 -29.767 0.704 1.00 61.21 H new ATOM 0 HA ARG A 15 14.480 -29.170 3.058 1.00 73.24 H new ATOM 0 HB2 ARG A 15 14.984 -31.762 1.733 1.00 13.50 H new ATOM 0 HB3 ARG A 15 15.394 -31.768 3.437 1.00 13.50 H new ATOM 0 HG2 ARG A 15 13.168 -32.401 3.515 1.00 22.44 H new ATOM 0 HG3 ARG A 15 13.027 -30.671 3.758 1.00 22.44 H new ATOM 0 HD2 ARG A 15 11.913 -30.376 1.809 1.00 43.21 H new ATOM 0 HD3 ARG A 15 13.055 -31.353 0.909 1.00 43.21 H new ATOM 0 HE ARG A 15 10.489 -32.209 1.988 1.00 44.43 H new ATOM 0 HH11 ARG A 15 13.735 -33.260 1.078 1.00 40.42 H new ATOM 0 HH12 ARG A 15 13.236 -34.928 0.776 1.00 40.42 H new ATOM 0 HH21 ARG A 15 9.857 -34.353 1.599 1.00 34.21 H new ATOM 0 HH22 ARG A 15 11.049 -35.543 1.070 1.00 34.21 H new ATOM 250 N ASP A 16 16.488 -29.080 4.524 1.00 11.30 N ATOM 251 CA ASP A 16 17.684 -28.843 5.324 1.00 63.42 C ATOM 252 C ASP A 16 17.887 -29.961 6.342 1.00 71.42 C ATOM 253 O ASP A 16 17.079 -30.886 6.433 1.00 50.34 O ATOM 254 CB ASP A 16 17.587 -27.496 6.040 1.00 13.25 C ATOM 255 CG ASP A 16 16.295 -27.347 6.820 1.00 51.21 C ATOM 256 OD1 ASP A 16 15.983 -26.213 7.241 1.00 1.02 O ATOM 257 OD2 ASP A 16 15.595 -28.364 7.008 1.00 42.42 O ATOM 0 H ASP A 16 15.616 -28.806 4.978 1.00 11.30 H new ATOM 0 HA ASP A 16 18.542 -28.827 4.652 1.00 63.42 H new ATOM 0 HB2 ASP A 16 18.433 -27.387 6.719 1.00 13.25 H new ATOM 0 HB3 ASP A 16 17.661 -26.692 5.307 1.00 13.25 H new ATOM 262 N SER A 17 18.971 -29.871 7.105 1.00 44.40 N ATOM 263 CA SER A 17 19.283 -30.877 8.113 1.00 0.12 C ATOM 264 C SER A 17 18.117 -31.055 9.081 1.00 25.04 C ATOM 265 O SER A 17 17.942 -32.122 9.669 1.00 31.23 O ATOM 266 CB SER A 17 20.545 -30.484 8.883 1.00 1.14 C ATOM 267 OG SER A 17 21.490 -29.862 8.030 1.00 25.32 O ATOM 0 H SER A 17 19.649 -29.111 7.044 1.00 44.40 H new ATOM 0 HA SER A 17 19.458 -31.825 7.604 1.00 0.12 H new ATOM 0 HB2 SER A 17 20.283 -29.807 9.696 1.00 1.14 H new ATOM 0 HB3 SER A 17 20.988 -31.370 9.337 1.00 1.14 H new ATOM 0 HG SER A 17 21.463 -28.892 8.164 1.00 25.32 H new ATOM 273 N SER A 18 17.323 -30.001 9.242 1.00 63.32 N ATOM 274 CA SER A 18 16.176 -30.039 10.141 1.00 2.52 C ATOM 275 C SER A 18 15.039 -30.857 9.538 1.00 61.42 C ATOM 276 O SER A 18 14.395 -31.648 10.226 1.00 22.11 O ATOM 277 CB SER A 18 15.693 -28.619 10.444 1.00 34.02 C ATOM 278 OG SER A 18 14.327 -28.616 10.824 1.00 43.40 O ATOM 0 H SER A 18 17.453 -29.111 8.762 1.00 63.32 H new ATOM 0 HA SER A 18 16.489 -30.516 11.070 1.00 2.52 H new ATOM 0 HB2 SER A 18 16.297 -28.189 11.243 1.00 34.02 H new ATOM 0 HB3 SER A 18 15.831 -27.989 9.565 1.00 34.02 H new ATOM 0 HG SER A 18 13.789 -28.217 10.109 1.00 43.40 H new ATOM 284 N GLY A 19 14.798 -30.661 8.245 1.00 70.20 N ATOM 285 CA GLY A 19 13.739 -31.388 7.569 1.00 12.43 C ATOM 286 C GLY A 19 12.407 -30.667 7.637 1.00 31.02 C ATOM 287 O GLY A 19 11.371 -31.285 7.887 1.00 62.12 O ATOM 0 H GLY A 19 15.317 -30.012 7.654 1.00 70.20 H new ATOM 0 HA2 GLY A 19 14.015 -31.538 6.525 1.00 12.43 H new ATOM 0 HA3 GLY A 19 13.637 -32.376 8.017 1.00 12.43 H new ATOM 291 N CYS A 20 12.433 -29.357 7.417 1.00 72.45 N ATOM 292 CA CYS A 20 11.218 -28.551 7.456 1.00 31.24 C ATOM 293 C CYS A 20 10.893 -27.990 6.076 1.00 15.42 C ATOM 294 O CYS A 20 10.032 -27.120 5.934 1.00 34.50 O ATOM 295 CB CYS A 20 11.372 -27.409 8.462 1.00 52.03 C ATOM 296 SG CYS A 20 11.370 -27.941 10.190 1.00 70.33 S ATOM 0 H CYS A 20 13.282 -28.831 7.210 1.00 72.45 H new ATOM 0 HA CYS A 20 10.395 -29.193 7.769 1.00 31.24 H new ATOM 0 HB2 CYS A 20 12.304 -26.882 8.257 1.00 52.03 H new ATOM 0 HB3 CYS A 20 10.562 -26.695 8.312 1.00 52.03 H new ATOM 0 HG CYS A 20 11.446 -26.900 10.965 1.00 70.33 H new ATOM 302 N THR A 21 11.588 -28.491 5.060 1.00 40.20 N ATOM 303 CA THR A 21 11.376 -28.038 3.691 1.00 14.32 C ATOM 304 C THR A 21 11.490 -26.521 3.590 1.00 2.01 C ATOM 305 O THR A 21 10.497 -25.803 3.712 1.00 41.20 O ATOM 306 CB THR A 21 9.996 -28.473 3.163 1.00 33.20 C ATOM 307 OG1 THR A 21 9.681 -29.786 3.640 1.00 71.35 O ATOM 308 CG2 THR A 21 9.970 -28.460 1.642 1.00 32.40 C ATOM 0 H THR A 21 12.303 -29.211 5.160 1.00 40.20 H new ATOM 0 HA THR A 21 12.153 -28.500 3.082 1.00 14.32 H new ATOM 0 HB THR A 21 9.252 -27.766 3.529 1.00 33.20 H new ATOM 0 HG1 THR A 21 8.801 -30.055 3.301 1.00 71.35 H new ATOM 0 HG21 THR A 21 8.986 -28.771 1.292 1.00 32.40 H new ATOM 0 HG22 THR A 21 10.181 -27.453 1.283 1.00 32.40 H new ATOM 0 HG23 THR A 21 10.725 -29.147 1.259 1.00 32.40 H new ATOM 316 N THR A 22 12.708 -26.038 3.366 1.00 42.43 N ATOM 317 CA THR A 22 12.953 -24.606 3.249 1.00 53.35 C ATOM 318 C THR A 22 13.425 -24.242 1.846 1.00 43.43 C ATOM 319 O THR A 22 13.716 -25.118 1.030 1.00 3.15 O ATOM 320 CB THR A 22 14.002 -24.129 4.271 1.00 35.31 C ATOM 321 OG1 THR A 22 15.320 -24.381 3.774 1.00 64.14 O ATOM 322 CG2 THR A 22 13.815 -24.834 5.606 1.00 14.03 C ATOM 0 H THR A 22 13.541 -26.618 3.262 1.00 42.43 H new ATOM 0 HA THR A 22 12.006 -24.106 3.452 1.00 53.35 H new ATOM 0 HB THR A 22 13.870 -23.058 4.421 1.00 35.31 H new ATOM 0 HG1 THR A 22 15.846 -24.842 4.461 1.00 64.14 H new ATOM 0 HG21 THR A 22 14.567 -24.481 6.312 1.00 14.03 H new ATOM 0 HG22 THR A 22 12.821 -24.617 5.996 1.00 14.03 H new ATOM 0 HG23 THR A 22 13.923 -25.910 5.468 1.00 14.03 H new ATOM 330 N LEU A 23 13.500 -22.944 1.570 1.00 24.31 N ATOM 331 CA LEU A 23 13.939 -22.464 0.264 1.00 1.44 C ATOM 332 C LEU A 23 15.149 -21.544 0.401 1.00 75.21 C ATOM 333 O LEU A 23 15.093 -20.527 1.092 1.00 54.13 O ATOM 334 CB LEU A 23 12.799 -21.725 -0.438 1.00 40.34 C ATOM 335 CG LEU A 23 11.815 -22.596 -1.219 1.00 60.35 C ATOM 336 CD1 LEU A 23 11.237 -23.682 -0.325 1.00 24.10 C ATOM 337 CD2 LEU A 23 10.703 -21.744 -1.813 1.00 72.23 C ATOM 0 H LEU A 23 13.263 -22.206 2.233 1.00 24.31 H new ATOM 0 HA LEU A 23 14.228 -23.327 -0.336 1.00 1.44 H new ATOM 0 HB2 LEU A 23 12.241 -21.164 0.311 1.00 40.34 H new ATOM 0 HB3 LEU A 23 13.233 -20.997 -1.124 1.00 40.34 H new ATOM 0 HG LEU A 23 12.354 -23.075 -2.036 1.00 60.35 H new ATOM 0 HD11 LEU A 23 10.539 -24.292 -0.898 1.00 24.10 H new ATOM 0 HD12 LEU A 23 12.044 -24.311 0.051 1.00 24.10 H new ATOM 0 HD13 LEU A 23 10.714 -23.223 0.514 1.00 24.10 H new ATOM 0 HD21 LEU A 23 10.012 -22.381 -2.365 1.00 72.23 H new ATOM 0 HD22 LEU A 23 10.166 -21.236 -1.012 1.00 72.23 H new ATOM 0 HD23 LEU A 23 11.133 -21.004 -2.488 1.00 72.23 H new ATOM 349 N SER A 24 16.240 -21.908 -0.264 1.00 63.32 N ATOM 350 CA SER A 24 17.464 -21.117 -0.216 1.00 2.00 C ATOM 351 C SER A 24 17.516 -20.125 -1.374 1.00 73.11 C ATOM 352 O SER A 24 17.149 -20.453 -2.503 1.00 13.21 O ATOM 353 CB SER A 24 18.690 -22.032 -0.258 1.00 11.50 C ATOM 354 OG SER A 24 18.352 -23.355 0.119 1.00 12.03 O ATOM 0 H SER A 24 16.302 -22.746 -0.843 1.00 63.32 H new ATOM 0 HA SER A 24 17.469 -20.557 0.719 1.00 2.00 H new ATOM 0 HB2 SER A 24 19.112 -22.034 -1.263 1.00 11.50 H new ATOM 0 HB3 SER A 24 19.459 -21.645 0.410 1.00 11.50 H new ATOM 0 HG SER A 24 19.152 -23.920 0.083 1.00 12.03 H new ATOM 360 N ILE A 25 17.974 -18.912 -1.085 1.00 54.34 N ATOM 361 CA ILE A 25 18.075 -17.872 -2.102 1.00 55.00 C ATOM 362 C ILE A 25 19.476 -17.823 -2.701 1.00 0.21 C ATOM 363 O ILE A 25 20.470 -17.795 -1.976 1.00 1.31 O ATOM 364 CB ILE A 25 17.725 -16.487 -1.527 1.00 42.40 C ATOM 365 CG1 ILE A 25 16.436 -16.561 -0.707 1.00 31.15 C ATOM 366 CG2 ILE A 25 17.588 -15.467 -2.648 1.00 30.20 C ATOM 367 CD1 ILE A 25 15.249 -17.075 -1.491 1.00 62.21 C ATOM 0 H ILE A 25 18.281 -18.625 -0.156 1.00 54.34 H new ATOM 0 HA ILE A 25 17.358 -18.124 -2.883 1.00 55.00 H new ATOM 0 HB ILE A 25 18.534 -16.169 -0.869 1.00 42.40 H new ATOM 0 HG12 ILE A 25 16.600 -17.208 0.154 1.00 31.15 H new ATOM 0 HG13 ILE A 25 16.204 -15.569 -0.320 1.00 31.15 H new ATOM 0 HG21 ILE A 25 17.340 -14.493 -2.226 1.00 30.20 H new ATOM 0 HG22 ILE A 25 18.529 -15.397 -3.194 1.00 30.20 H new ATOM 0 HG23 ILE A 25 16.796 -15.779 -3.329 1.00 30.20 H new ATOM 0 HD11 ILE A 25 14.371 -17.101 -0.846 1.00 62.21 H new ATOM 0 HD12 ILE A 25 15.059 -16.415 -2.337 1.00 62.21 H new ATOM 0 HD13 ILE A 25 15.461 -18.080 -1.855 1.00 62.21 H new ATOM 379 N GLN A 26 19.546 -17.811 -4.028 1.00 44.01 N ATOM 380 CA GLN A 26 20.827 -17.764 -4.724 1.00 52.22 C ATOM 381 C GLN A 26 21.190 -16.331 -5.099 1.00 4.34 C ATOM 382 O GLN A 26 22.367 -15.983 -5.189 1.00 62.12 O ATOM 383 CB GLN A 26 20.781 -18.636 -5.980 1.00 53.43 C ATOM 384 CG GLN A 26 20.670 -20.123 -5.685 1.00 54.30 C ATOM 385 CD GLN A 26 19.341 -20.707 -6.122 1.00 14.32 C ATOM 386 OE1 GLN A 26 19.275 -21.487 -7.072 1.00 54.23 O ATOM 387 NE2 GLN A 26 18.272 -20.332 -5.428 1.00 42.31 N ATOM 0 H GLN A 26 18.732 -17.833 -4.642 1.00 44.01 H new ATOM 0 HA GLN A 26 21.592 -18.149 -4.050 1.00 52.22 H new ATOM 0 HB2 GLN A 26 19.933 -18.331 -6.593 1.00 53.43 H new ATOM 0 HB3 GLN A 26 21.680 -18.457 -6.569 1.00 53.43 H new ATOM 0 HG2 GLN A 26 21.478 -20.651 -6.191 1.00 54.30 H new ATOM 0 HG3 GLN A 26 20.801 -20.288 -4.616 1.00 54.30 H new ATOM 0 HE21 GLN A 26 18.373 -19.683 -4.647 1.00 42.31 H new ATOM 0 HE22 GLN A 26 17.351 -20.693 -5.676 1.00 42.31 H new ATOM 396 N GLU A 27 20.172 -15.504 -5.315 1.00 71.32 N ATOM 397 CA GLU A 27 20.386 -14.109 -5.681 1.00 73.02 C ATOM 398 C GLU A 27 19.949 -13.178 -4.554 1.00 55.21 C ATOM 399 O GLU A 27 19.670 -13.621 -3.440 1.00 31.40 O ATOM 400 CB GLU A 27 19.620 -13.772 -6.962 1.00 42.53 C ATOM 401 CG GLU A 27 20.488 -13.153 -8.045 1.00 43.01 C ATOM 402 CD GLU A 27 20.825 -14.132 -9.153 1.00 52.11 C ATOM 403 OE1 GLU A 27 21.060 -15.319 -8.844 1.00 52.00 O ATOM 404 OE2 GLU A 27 20.854 -13.712 -10.329 1.00 14.55 O ATOM 0 H GLU A 27 19.192 -15.776 -5.243 1.00 71.32 H new ATOM 0 HA GLU A 27 21.452 -13.965 -5.855 1.00 73.02 H new ATOM 0 HB2 GLU A 27 19.161 -14.681 -7.351 1.00 42.53 H new ATOM 0 HB3 GLU A 27 18.809 -13.084 -6.720 1.00 42.53 H new ATOM 0 HG2 GLU A 27 19.973 -12.292 -8.470 1.00 43.01 H new ATOM 0 HG3 GLU A 27 21.411 -12.783 -7.599 1.00 43.01 H new ATOM 411 N VAL A 28 19.891 -11.884 -4.852 1.00 44.42 N ATOM 412 CA VAL A 28 19.488 -10.889 -3.865 1.00 50.15 C ATOM 413 C VAL A 28 18.256 -10.122 -4.331 1.00 14.41 C ATOM 414 O VAL A 28 18.171 -9.702 -5.486 1.00 14.45 O ATOM 415 CB VAL A 28 20.624 -9.889 -3.580 1.00 21.04 C ATOM 416 CG1 VAL A 28 20.273 -9.008 -2.390 1.00 44.35 C ATOM 417 CG2 VAL A 28 21.934 -10.625 -3.340 1.00 74.32 C ATOM 0 H VAL A 28 20.118 -11.500 -5.769 1.00 44.42 H new ATOM 0 HA VAL A 28 19.252 -11.429 -2.948 1.00 50.15 H new ATOM 0 HB VAL A 28 20.748 -9.248 -4.453 1.00 21.04 H new ATOM 0 HG11 VAL A 28 21.087 -8.308 -2.203 1.00 44.35 H new ATOM 0 HG12 VAL A 28 19.359 -8.454 -2.605 1.00 44.35 H new ATOM 0 HG13 VAL A 28 20.121 -9.631 -1.509 1.00 44.35 H new ATOM 0 HG21 VAL A 28 22.726 -9.903 -3.140 1.00 74.32 H new ATOM 0 HG22 VAL A 28 21.826 -11.291 -2.484 1.00 74.32 H new ATOM 0 HG23 VAL A 28 22.190 -11.209 -4.224 1.00 74.32 H new ATOM 427 N THR A 29 17.300 -9.941 -3.424 1.00 43.41 N ATOM 428 CA THR A 29 16.071 -9.224 -3.741 1.00 64.21 C ATOM 429 C THR A 29 16.005 -7.892 -3.003 1.00 23.35 C ATOM 430 O THR A 29 15.289 -6.980 -3.413 1.00 72.14 O ATOM 431 CB THR A 29 14.827 -10.059 -3.384 1.00 53.52 C ATOM 432 OG1 THR A 29 13.643 -9.274 -3.566 1.00 34.13 O ATOM 433 CG2 THR A 29 14.899 -10.551 -1.947 1.00 24.13 C ATOM 0 H THR A 29 17.354 -10.281 -2.464 1.00 43.41 H new ATOM 0 HA THR A 29 16.080 -9.040 -4.815 1.00 64.21 H new ATOM 0 HB THR A 29 14.795 -10.925 -4.046 1.00 53.52 H new ATOM 0 HG1 THR A 29 12.997 -9.776 -4.106 1.00 34.13 H new ATOM 0 HG21 THR A 29 14.010 -11.138 -1.718 1.00 24.13 H new ATOM 0 HG22 THR A 29 15.786 -11.171 -1.819 1.00 24.13 H new ATOM 0 HG23 THR A 29 14.953 -9.697 -1.272 1.00 24.13 H new ATOM 441 N GLN A 30 16.757 -7.788 -1.912 1.00 2.04 N ATOM 442 CA GLN A 30 16.783 -6.566 -1.116 1.00 60.22 C ATOM 443 C GLN A 30 17.578 -5.473 -1.823 1.00 24.33 C ATOM 444 O GLN A 30 17.603 -4.324 -1.381 1.00 50.13 O ATOM 445 CB GLN A 30 17.386 -6.842 0.262 1.00 23.41 C ATOM 446 CG GLN A 30 16.741 -6.040 1.380 1.00 4.24 C ATOM 447 CD GLN A 30 15.682 -6.826 2.127 1.00 11.00 C ATOM 448 OE1 GLN A 30 14.739 -7.343 1.528 1.00 74.03 O ATOM 449 NE2 GLN A 30 15.832 -6.921 3.443 1.00 11.40 N ATOM 0 H GLN A 30 17.356 -8.534 -1.559 1.00 2.04 H new ATOM 0 HA GLN A 30 15.756 -6.221 -0.992 1.00 60.22 H new ATOM 0 HB2 GLN A 30 17.289 -7.904 0.486 1.00 23.41 H new ATOM 0 HB3 GLN A 30 18.452 -6.618 0.234 1.00 23.41 H new ATOM 0 HG2 GLN A 30 17.511 -5.718 2.081 1.00 4.24 H new ATOM 0 HG3 GLN A 30 16.292 -5.139 0.963 1.00 4.24 H new ATOM 0 HE21 GLN A 30 16.629 -6.477 3.899 1.00 11.40 H new ATOM 0 HE22 GLN A 30 15.150 -7.438 3.998 1.00 11.40 H new ATOM 458 N THR A 31 18.229 -5.839 -2.923 1.00 10.00 N ATOM 459 CA THR A 31 19.027 -4.891 -3.690 1.00 13.41 C ATOM 460 C THR A 31 18.257 -4.378 -4.901 1.00 53.24 C ATOM 461 O THR A 31 18.844 -3.836 -5.838 1.00 54.33 O ATOM 462 CB THR A 31 20.348 -5.523 -4.166 1.00 31.51 C ATOM 463 OG1 THR A 31 20.164 -6.924 -4.401 1.00 55.10 O ATOM 464 CG2 THR A 31 21.448 -5.318 -3.136 1.00 4.30 C ATOM 0 H THR A 31 18.219 -6.786 -3.303 1.00 10.00 H new ATOM 0 HA THR A 31 19.251 -4.057 -3.025 1.00 13.41 H new ATOM 0 HB THR A 31 20.645 -5.035 -5.094 1.00 31.51 H new ATOM 0 HG1 THR A 31 20.651 -7.187 -5.210 1.00 55.10 H new ATOM 0 HG21 THR A 31 22.371 -5.773 -3.494 1.00 4.30 H new ATOM 0 HG22 THR A 31 21.606 -4.251 -2.980 1.00 4.30 H new ATOM 0 HG23 THR A 31 21.156 -5.783 -2.194 1.00 4.30 H new ATOM 472 N TYR A 32 16.940 -4.551 -4.876 1.00 60.55 N ATOM 473 CA TYR A 32 16.090 -4.107 -5.974 1.00 74.44 C ATOM 474 C TYR A 32 15.040 -3.114 -5.484 1.00 24.55 C ATOM 475 O TYR A 32 14.542 -3.222 -4.363 1.00 33.04 O ATOM 476 CB TYR A 32 15.405 -5.306 -6.634 1.00 13.33 C ATOM 477 CG TYR A 32 15.655 -5.403 -8.122 1.00 13.23 C ATOM 478 CD1 TYR A 32 14.608 -5.300 -9.030 1.00 1.31 C ATOM 479 CD2 TYR A 32 16.937 -5.599 -8.620 1.00 11.44 C ATOM 480 CE1 TYR A 32 14.831 -5.388 -10.390 1.00 64.53 C ATOM 481 CE2 TYR A 32 17.170 -5.687 -9.978 1.00 72.13 C ATOM 482 CZ TYR A 32 16.114 -5.582 -10.860 1.00 10.34 C ATOM 483 OH TYR A 32 16.342 -5.671 -12.214 1.00 14.32 O ATOM 0 H TYR A 32 16.438 -4.996 -4.107 1.00 60.55 H new ATOM 0 HA TYR A 32 16.721 -3.607 -6.709 1.00 74.44 H new ATOM 0 HB2 TYR A 32 15.753 -6.221 -6.155 1.00 13.33 H new ATOM 0 HB3 TYR A 32 14.331 -5.243 -6.458 1.00 13.33 H new ATOM 0 HD1 TYR A 32 13.603 -5.149 -8.666 1.00 1.31 H new ATOM 0 HD2 TYR A 32 17.766 -5.684 -7.933 1.00 11.44 H new ATOM 0 HE1 TYR A 32 14.006 -5.305 -11.082 1.00 64.53 H new ATOM 0 HE2 TYR A 32 18.173 -5.837 -10.348 1.00 72.13 H new ATOM 0 HH TYR A 32 17.299 -5.806 -12.376 1.00 14.32 H new ATOM 493 N THR A 33 14.709 -2.146 -6.332 1.00 74.21 N ATOM 494 CA THR A 33 13.720 -1.133 -5.987 1.00 13.13 C ATOM 495 C THR A 33 13.192 -0.432 -7.233 1.00 61.03 C ATOM 496 O THR A 33 13.801 -0.500 -8.300 1.00 41.11 O ATOM 497 CB THR A 33 14.306 -0.079 -5.028 1.00 62.15 C ATOM 498 OG1 THR A 33 15.597 -0.497 -4.571 1.00 31.52 O ATOM 499 CG2 THR A 33 13.386 0.140 -3.837 1.00 5.13 C ATOM 0 H THR A 33 15.112 -2.042 -7.263 1.00 74.21 H new ATOM 0 HA THR A 33 12.899 -1.650 -5.490 1.00 13.13 H new ATOM 0 HB THR A 33 14.401 0.862 -5.571 1.00 62.15 H new ATOM 0 HG1 THR A 33 16.278 0.127 -4.898 1.00 31.52 H new ATOM 0 HG21 THR A 33 13.821 0.888 -3.174 1.00 5.13 H new ATOM 0 HG22 THR A 33 12.414 0.487 -4.187 1.00 5.13 H new ATOM 0 HG23 THR A 33 13.263 -0.798 -3.295 1.00 5.13 H new ATOM 507 N GLY A 34 12.055 0.243 -7.091 1.00 61.42 N ATOM 508 CA GLY A 34 11.465 0.947 -8.214 1.00 42.14 C ATOM 509 C GLY A 34 10.068 1.452 -7.913 1.00 71.52 C ATOM 510 O GLY A 34 9.614 2.432 -8.503 1.00 3.45 O ATOM 0 H GLY A 34 11.532 0.315 -6.218 1.00 61.42 H new ATOM 0 HA2 GLY A 34 12.102 1.789 -8.486 1.00 42.14 H new ATOM 0 HA3 GLY A 34 11.430 0.282 -9.077 1.00 42.14 H new ATOM 514 N SER A 35 9.383 0.779 -6.994 1.00 72.32 N ATOM 515 CA SER A 35 8.026 1.161 -6.620 1.00 3.12 C ATOM 516 C SER A 35 8.000 1.771 -5.222 1.00 3.42 C ATOM 517 O SER A 35 8.433 1.149 -4.253 1.00 0.01 O ATOM 518 CB SER A 35 7.098 -0.053 -6.676 1.00 34.32 C ATOM 519 OG SER A 35 7.649 -1.080 -7.482 1.00 31.22 O ATOM 0 H SER A 35 9.745 -0.033 -6.495 1.00 72.32 H new ATOM 0 HA SER A 35 7.676 1.909 -7.331 1.00 3.12 H new ATOM 0 HB2 SER A 35 6.927 -0.430 -5.668 1.00 34.32 H new ATOM 0 HB3 SER A 35 6.128 0.245 -7.074 1.00 34.32 H new ATOM 0 HG SER A 35 7.127 -1.164 -8.307 1.00 31.22 H new ATOM 525 N ASN A 36 7.489 2.995 -5.126 1.00 61.44 N ATOM 526 CA ASN A 36 7.406 3.691 -3.848 1.00 25.14 C ATOM 527 C ASN A 36 8.750 3.663 -3.125 1.00 41.13 C ATOM 528 O ASN A 36 8.809 3.488 -1.909 1.00 64.21 O ATOM 529 CB ASN A 36 6.328 3.057 -2.967 1.00 21.23 C ATOM 530 CG ASN A 36 4.954 3.108 -3.607 1.00 65.03 C ATOM 531 OD1 ASN A 36 4.496 2.130 -4.198 1.00 32.13 O ATOM 532 ND2 ASN A 36 4.291 4.253 -3.493 1.00 60.33 N ATOM 0 H ASN A 36 7.126 3.525 -5.919 1.00 61.44 H new ATOM 0 HA ASN A 36 7.140 4.730 -4.045 1.00 25.14 H new ATOM 0 HB2 ASN A 36 6.593 2.019 -2.764 1.00 21.23 H new ATOM 0 HB3 ASN A 36 6.298 3.572 -2.007 1.00 21.23 H new ATOM 0 HD21 ASN A 36 3.363 4.348 -3.905 1.00 60.33 H new ATOM 0 HD22 ASN A 36 4.710 5.038 -2.994 1.00 60.33 H new ATOM 539 N GLY A 37 9.828 3.838 -3.884 1.00 52.23 N ATOM 540 CA GLY A 37 11.156 3.830 -3.300 1.00 0.43 C ATOM 541 C GLY A 37 12.158 4.612 -4.126 1.00 71.44 C ATOM 542 O GLY A 37 12.539 5.724 -3.765 1.00 11.05 O ATOM 0 H GLY A 37 9.805 3.985 -4.893 1.00 52.23 H new ATOM 0 HA2 GLY A 37 11.110 4.251 -2.296 1.00 0.43 H new ATOM 0 HA3 GLY A 37 11.499 2.800 -3.198 1.00 0.43 H new ATOM 546 N GLY A 38 12.588 4.027 -5.241 1.00 13.03 N ATOM 547 CA GLY A 38 13.549 4.689 -6.103 1.00 2.44 C ATOM 548 C GLY A 38 13.990 3.815 -7.260 1.00 34.24 C ATOM 549 O GLY A 38 13.474 3.937 -8.370 1.00 42.53 O ATOM 0 H GLY A 38 12.287 3.107 -5.562 1.00 13.03 H new ATOM 0 HA2 GLY A 38 13.110 5.608 -6.493 1.00 2.44 H new ATOM 0 HA3 GLY A 38 14.421 4.976 -5.516 1.00 2.44 H new ATOM 553 N ALA A 39 14.947 2.930 -7.000 1.00 11.31 N ATOM 554 CA ALA A 39 15.456 2.032 -8.028 1.00 63.23 C ATOM 555 C ALA A 39 16.364 0.965 -7.425 1.00 40.30 C ATOM 556 O ALA A 39 16.764 1.061 -6.265 1.00 3.23 O ATOM 557 CB ALA A 39 16.201 2.820 -9.096 1.00 24.44 C ATOM 0 H ALA A 39 15.385 2.816 -6.086 1.00 11.31 H new ATOM 0 HA ALA A 39 14.606 1.530 -8.490 1.00 63.23 H new ATOM 0 HB1 ALA A 39 16.576 2.136 -9.858 1.00 24.44 H new ATOM 0 HB2 ALA A 39 15.524 3.540 -9.556 1.00 24.44 H new ATOM 0 HB3 ALA A 39 17.038 3.349 -8.640 1.00 24.44 H new ATOM 563 N ASP A 40 16.684 -0.050 -8.219 1.00 64.31 N ATOM 564 CA ASP A 40 17.546 -1.135 -7.763 1.00 74.31 C ATOM 565 C ASP A 40 18.973 -0.643 -7.549 1.00 44.54 C ATOM 566 O ASP A 40 19.545 0.030 -8.409 1.00 14.33 O ATOM 567 CB ASP A 40 17.535 -2.283 -8.774 1.00 51.23 C ATOM 568 CG ASP A 40 18.041 -1.857 -10.139 1.00 33.04 C ATOM 569 OD1 ASP A 40 19.263 -1.958 -10.377 1.00 14.12 O ATOM 570 OD2 ASP A 40 17.214 -1.424 -10.968 1.00 45.24 O ATOM 0 H ASP A 40 16.360 -0.145 -9.181 1.00 64.31 H new ATOM 0 HA ASP A 40 17.159 -1.496 -6.810 1.00 74.31 H new ATOM 0 HB2 ASP A 40 18.152 -3.099 -8.399 1.00 51.23 H new ATOM 0 HB3 ASP A 40 16.520 -2.669 -8.870 1.00 51.23 H new ATOM 575 N LEU A 41 19.544 -0.981 -6.399 1.00 3.45 N ATOM 576 CA LEU A 41 20.906 -0.572 -6.071 1.00 12.24 C ATOM 577 C LEU A 41 21.414 -1.311 -4.837 1.00 12.54 C ATOM 578 O LEU A 41 20.782 -2.254 -4.362 1.00 63.34 O ATOM 579 CB LEU A 41 20.963 0.938 -5.835 1.00 10.44 C ATOM 580 CG LEU A 41 22.157 1.669 -6.450 1.00 1.25 C ATOM 581 CD1 LEU A 41 21.728 2.452 -7.681 1.00 34.22 C ATOM 582 CD2 LEU A 41 22.802 2.593 -5.426 1.00 72.23 C ATOM 0 H LEU A 41 19.086 -1.537 -5.677 1.00 3.45 H new ATOM 0 HA LEU A 41 21.549 -0.826 -6.914 1.00 12.24 H new ATOM 0 HB2 LEU A 41 20.049 1.382 -6.229 1.00 10.44 H new ATOM 0 HB3 LEU A 41 20.967 1.118 -4.760 1.00 10.44 H new ATOM 0 HG LEU A 41 22.894 0.927 -6.756 1.00 1.25 H new ATOM 0 HD11 LEU A 41 22.591 2.965 -8.105 1.00 34.22 H new ATOM 0 HD12 LEU A 41 21.313 1.768 -8.421 1.00 34.22 H new ATOM 0 HD13 LEU A 41 20.971 3.185 -7.401 1.00 34.22 H new ATOM 0 HD21 LEU A 41 23.650 3.105 -5.881 1.00 72.23 H new ATOM 0 HD22 LEU A 41 22.072 3.329 -5.089 1.00 72.23 H new ATOM 0 HD23 LEU A 41 23.147 2.007 -4.574 1.00 72.23 H new ATOM 594 N MET A 42 22.558 -0.873 -4.321 1.00 14.25 N ATOM 595 CA MET A 42 23.148 -1.491 -3.139 1.00 45.21 C ATOM 596 C MET A 42 23.163 -0.517 -1.965 1.00 55.55 C ATOM 597 O MET A 42 23.608 0.623 -2.097 1.00 71.33 O ATOM 598 CB MET A 42 24.572 -1.963 -3.442 1.00 52.01 C ATOM 599 CG MET A 42 24.632 -3.113 -4.434 1.00 42.13 C ATOM 600 SD MET A 42 25.833 -2.833 -5.750 1.00 54.52 S ATOM 601 CE MET A 42 25.359 -4.106 -6.917 1.00 63.13 C ATOM 0 H MET A 42 23.094 -0.094 -4.702 1.00 14.25 H new ATOM 0 HA MET A 42 22.537 -2.351 -2.866 1.00 45.21 H new ATOM 0 HB2 MET A 42 25.148 -1.125 -3.834 1.00 52.01 H new ATOM 0 HB3 MET A 42 25.050 -2.271 -2.512 1.00 52.01 H new ATOM 0 HG2 MET A 42 24.886 -4.031 -3.905 1.00 42.13 H new ATOM 0 HG3 MET A 42 23.645 -3.261 -4.873 1.00 42.13 H new ATOM 0 HE1 MET A 42 26.012 -4.062 -7.789 1.00 63.13 H new ATOM 0 HE2 MET A 42 25.450 -5.084 -6.445 1.00 63.13 H new ATOM 0 HE3 MET A 42 24.326 -3.948 -7.228 1.00 63.13 H new ATOM 611 N GLY A 43 22.671 -0.973 -0.817 1.00 43.31 N ATOM 612 CA GLY A 43 22.637 -0.128 0.363 1.00 74.25 C ATOM 613 C GLY A 43 21.848 -0.750 1.498 1.00 54.13 C ATOM 614 O GLY A 43 22.403 -1.157 2.518 1.00 0.13 O ATOM 0 H GLY A 43 22.296 -1.912 -0.683 1.00 43.31 H new ATOM 0 HA2 GLY A 43 23.656 0.066 0.697 1.00 74.25 H new ATOM 0 HA3 GLY A 43 22.197 0.835 0.104 1.00 74.25 H new ATOM 618 N PRO A 44 20.519 -0.828 1.327 1.00 65.31 N ATOM 619 CA PRO A 44 19.624 -1.403 2.336 1.00 42.43 C ATOM 620 C PRO A 44 19.795 -2.912 2.470 1.00 14.12 C ATOM 621 O PRO A 44 19.522 -3.485 3.524 1.00 21.24 O ATOM 622 CB PRO A 44 18.229 -1.067 1.804 1.00 73.35 C ATOM 623 CG PRO A 44 18.409 -0.925 0.332 1.00 53.05 C ATOM 624 CD PRO A 44 19.790 -0.363 0.136 1.00 54.13 C ATOM 0 HA PRO A 44 19.822 -1.006 3.332 1.00 42.43 H new ATOM 0 HB2 PRO A 44 17.514 -1.855 2.041 1.00 73.35 H new ATOM 0 HB3 PRO A 44 17.847 -0.147 2.247 1.00 73.35 H new ATOM 0 HG2 PRO A 44 18.305 -1.888 -0.169 1.00 53.05 H new ATOM 0 HG3 PRO A 44 17.654 -0.262 -0.091 1.00 53.05 H new ATOM 0 HD2 PRO A 44 20.246 -0.730 -0.783 1.00 54.13 H new ATOM 0 HD3 PRO A 44 19.776 0.725 0.073 1.00 54.13 H new ATOM 632 N ALA A 45 20.247 -3.550 1.396 1.00 44.43 N ATOM 633 CA ALA A 45 20.456 -4.992 1.395 1.00 25.22 C ATOM 634 C ALA A 45 21.547 -5.389 2.384 1.00 30.24 C ATOM 635 O ALA A 45 21.379 -6.326 3.165 1.00 25.23 O ATOM 636 CB ALA A 45 20.810 -5.474 -0.004 1.00 51.32 C ATOM 0 H ALA A 45 20.476 -3.090 0.515 1.00 44.43 H new ATOM 0 HA ALA A 45 19.527 -5.468 1.707 1.00 25.22 H new ATOM 0 HB1 ALA A 45 20.963 -6.553 0.011 1.00 51.32 H new ATOM 0 HB2 ALA A 45 19.997 -5.232 -0.689 1.00 51.32 H new ATOM 0 HB3 ALA A 45 21.724 -4.982 -0.338 1.00 51.32 H new ATOM 642 N PHE A 46 22.665 -4.671 2.346 1.00 75.23 N ATOM 643 CA PHE A 46 23.784 -4.950 3.238 1.00 73.00 C ATOM 644 C PHE A 46 23.533 -4.365 4.625 1.00 54.44 C ATOM 645 O PHE A 46 24.197 -4.730 5.594 1.00 43.33 O ATOM 646 CB PHE A 46 25.080 -4.380 2.658 1.00 11.14 C ATOM 647 CG PHE A 46 25.886 -5.387 1.888 1.00 10.45 C ATOM 648 CD1 PHE A 46 26.164 -5.190 0.546 1.00 44.05 C ATOM 649 CD2 PHE A 46 26.365 -6.530 2.508 1.00 52.03 C ATOM 650 CE1 PHE A 46 26.906 -6.114 -0.166 1.00 22.21 C ATOM 651 CE2 PHE A 46 27.107 -7.457 1.802 1.00 65.44 C ATOM 652 CZ PHE A 46 27.377 -7.250 0.463 1.00 44.10 C ATOM 0 H PHE A 46 22.820 -3.891 1.707 1.00 75.23 H new ATOM 0 HA PHE A 46 23.881 -6.032 3.332 1.00 73.00 H new ATOM 0 HB2 PHE A 46 24.838 -3.543 2.003 1.00 11.14 H new ATOM 0 HB3 PHE A 46 25.689 -3.984 3.471 1.00 11.14 H new ATOM 0 HD1 PHE A 46 25.797 -4.304 0.050 1.00 44.05 H new ATOM 0 HD2 PHE A 46 26.156 -6.698 3.554 1.00 52.03 H new ATOM 0 HE1 PHE A 46 27.117 -5.948 -1.212 1.00 22.21 H new ATOM 0 HE2 PHE A 46 27.476 -8.343 2.297 1.00 65.44 H new ATOM 0 HZ PHE A 46 27.955 -7.975 -0.091 1.00 44.10 H new ATOM 662 N ALA A 47 22.569 -3.454 4.710 1.00 12.40 N ATOM 663 CA ALA A 47 22.228 -2.818 5.977 1.00 63.31 C ATOM 664 C ALA A 47 21.684 -3.837 6.973 1.00 4.31 C ATOM 665 O ALA A 47 21.965 -3.761 8.169 1.00 43.52 O ATOM 666 CB ALA A 47 21.217 -1.704 5.753 1.00 0.34 C ATOM 0 H ALA A 47 22.010 -3.140 3.917 1.00 12.40 H new ATOM 0 HA ALA A 47 23.138 -2.388 6.397 1.00 63.31 H new ATOM 0 HB1 ALA A 47 20.972 -1.238 6.707 1.00 0.34 H new ATOM 0 HB2 ALA A 47 21.642 -0.957 5.083 1.00 0.34 H new ATOM 0 HB3 ALA A 47 20.312 -2.118 5.308 1.00 0.34 H new ATOM 672 N ALA A 48 20.904 -4.789 6.472 1.00 1.24 N ATOM 673 CA ALA A 48 20.322 -5.823 7.319 1.00 70.14 C ATOM 674 C ALA A 48 21.157 -7.099 7.280 1.00 52.53 C ATOM 675 O ALA A 48 21.094 -7.921 8.192 1.00 21.22 O ATOM 676 CB ALA A 48 18.891 -6.113 6.889 1.00 24.03 C ATOM 0 H ALA A 48 20.661 -4.866 5.484 1.00 1.24 H new ATOM 0 HA ALA A 48 20.315 -5.456 8.345 1.00 70.14 H new ATOM 0 HB1 ALA A 48 18.468 -6.887 7.530 1.00 24.03 H new ATOM 0 HB2 ALA A 48 18.294 -5.205 6.975 1.00 24.03 H new ATOM 0 HB3 ALA A 48 18.884 -6.455 5.854 1.00 24.03 H new ATOM 682 N GLY A 49 21.938 -7.257 6.216 1.00 45.33 N ATOM 683 CA GLY A 49 22.774 -8.435 6.078 1.00 60.24 C ATOM 684 C GLY A 49 22.269 -9.382 5.007 1.00 41.44 C ATOM 685 O GLY A 49 22.683 -10.540 4.946 1.00 34.42 O ATOM 0 H GLY A 49 22.007 -6.590 5.447 1.00 45.33 H new ATOM 0 HA2 GLY A 49 23.792 -8.128 5.837 1.00 60.24 H new ATOM 0 HA3 GLY A 49 22.817 -8.960 7.032 1.00 60.24 H new ATOM 689 N LEU A 50 21.372 -8.889 4.160 1.00 72.42 N ATOM 690 CA LEU A 50 20.808 -9.700 3.086 1.00 71.00 C ATOM 691 C LEU A 50 21.862 -10.014 2.030 1.00 64.34 C ATOM 692 O LEU A 50 22.325 -9.124 1.316 1.00 71.10 O ATOM 693 CB LEU A 50 19.624 -8.976 2.442 1.00 61.32 C ATOM 694 CG LEU A 50 18.245 -9.303 3.015 1.00 31.13 C ATOM 695 CD1 LEU A 50 17.832 -10.718 2.640 1.00 50.35 C ATOM 696 CD2 LEU A 50 18.241 -9.128 4.527 1.00 73.20 C ATOM 0 H LEU A 50 21.020 -7.932 4.196 1.00 72.42 H new ATOM 0 HA LEU A 50 20.461 -10.639 3.517 1.00 71.00 H new ATOM 0 HB2 LEU A 50 19.788 -7.902 2.533 1.00 61.32 H new ATOM 0 HB3 LEU A 50 19.617 -9.209 1.377 1.00 61.32 H new ATOM 0 HG LEU A 50 17.521 -8.610 2.586 1.00 31.13 H new ATOM 0 HD11 LEU A 50 16.848 -10.932 3.057 1.00 50.35 H new ATOM 0 HD12 LEU A 50 17.794 -10.810 1.555 1.00 50.35 H new ATOM 0 HD13 LEU A 50 18.557 -11.427 3.040 1.00 50.35 H new ATOM 0 HD21 LEU A 50 17.252 -9.365 4.918 1.00 73.20 H new ATOM 0 HD22 LEU A 50 18.977 -9.797 4.973 1.00 73.20 H new ATOM 0 HD23 LEU A 50 18.491 -8.096 4.775 1.00 73.20 H new ATOM 708 N ARG A 51 22.236 -11.286 1.934 1.00 5.04 N ATOM 709 CA ARG A 51 23.236 -11.718 0.964 1.00 15.14 C ATOM 710 C ARG A 51 22.878 -13.084 0.387 1.00 31.44 C ATOM 711 O ARG A 51 22.045 -13.804 0.939 1.00 61.23 O ATOM 712 CB ARG A 51 24.619 -11.773 1.615 1.00 32.45 C ATOM 713 CG ARG A 51 25.510 -10.596 1.254 1.00 72.31 C ATOM 714 CD ARG A 51 26.373 -10.903 0.040 1.00 22.33 C ATOM 715 NE ARG A 51 25.864 -10.263 -1.170 1.00 22.04 N ATOM 716 CZ ARG A 51 26.406 -10.427 -2.371 1.00 72.24 C ATOM 717 NH1 ARG A 51 27.467 -11.207 -2.523 1.00 21.31 N ATOM 718 NH2 ARG A 51 25.885 -9.811 -3.425 1.00 4.42 N ATOM 0 H ARG A 51 21.862 -12.035 2.516 1.00 5.04 H new ATOM 0 HA ARG A 51 23.254 -10.993 0.151 1.00 15.14 H new ATOM 0 HB2 ARG A 51 24.500 -11.809 2.698 1.00 32.45 H new ATOM 0 HB3 ARG A 51 25.114 -12.697 1.318 1.00 32.45 H new ATOM 0 HG2 ARG A 51 24.894 -9.720 1.052 1.00 72.31 H new ATOM 0 HG3 ARG A 51 26.148 -10.348 2.102 1.00 72.31 H new ATOM 0 HD2 ARG A 51 27.393 -10.567 0.226 1.00 22.33 H new ATOM 0 HD3 ARG A 51 26.415 -11.982 -0.111 1.00 22.33 H new ATOM 0 HE ARG A 51 25.048 -9.657 -1.088 1.00 22.04 H new ATOM 0 HH11 ARG A 51 27.870 -11.683 -1.716 1.00 21.31 H new ATOM 0 HH12 ARG A 51 27.881 -11.331 -3.447 1.00 21.31 H new ATOM 0 HH21 ARG A 51 25.068 -9.211 -3.313 1.00 4.42 H new ATOM 0 HH22 ARG A 51 26.302 -9.937 -4.347 1.00 4.42 H new ATOM 732 N VAL A 52 23.513 -13.435 -0.726 1.00 71.44 N ATOM 733 CA VAL A 52 23.263 -14.715 -1.378 1.00 75.42 C ATOM 734 C VAL A 52 23.888 -15.863 -0.594 1.00 33.24 C ATOM 735 O VAL A 52 25.056 -15.805 -0.213 1.00 62.23 O ATOM 736 CB VAL A 52 23.814 -14.730 -2.816 1.00 64.41 C ATOM 737 CG1 VAL A 52 23.153 -13.646 -3.653 1.00 61.34 C ATOM 738 CG2 VAL A 52 25.326 -14.561 -2.808 1.00 22.51 C ATOM 0 H VAL A 52 24.205 -12.851 -1.196 1.00 71.44 H new ATOM 0 HA VAL A 52 22.182 -14.847 -1.410 1.00 75.42 H new ATOM 0 HB VAL A 52 23.581 -15.695 -3.266 1.00 64.41 H new ATOM 0 HG11 VAL A 52 23.555 -13.672 -4.666 1.00 61.34 H new ATOM 0 HG12 VAL A 52 22.077 -13.817 -3.685 1.00 61.34 H new ATOM 0 HG13 VAL A 52 23.352 -12.671 -3.209 1.00 61.34 H new ATOM 0 HG21 VAL A 52 25.699 -14.574 -3.832 1.00 22.51 H new ATOM 0 HG22 VAL A 52 25.583 -13.611 -2.340 1.00 22.51 H new ATOM 0 HG23 VAL A 52 25.780 -15.377 -2.246 1.00 22.51 H new ATOM 748 N GLY A 53 23.100 -16.908 -0.355 1.00 3.23 N ATOM 749 CA GLY A 53 23.594 -18.056 0.383 1.00 1.54 C ATOM 750 C GLY A 53 22.666 -18.463 1.511 1.00 44.31 C ATOM 751 O GLY A 53 22.392 -19.648 1.701 1.00 51.33 O ATOM 0 H GLY A 53 22.129 -16.980 -0.659 1.00 3.23 H new ATOM 0 HA2 GLY A 53 23.721 -18.896 -0.300 1.00 1.54 H new ATOM 0 HA3 GLY A 53 24.578 -17.826 0.791 1.00 1.54 H new ATOM 755 N ASP A 54 22.184 -17.479 2.262 1.00 75.11 N ATOM 756 CA ASP A 54 21.282 -17.741 3.377 1.00 15.05 C ATOM 757 C ASP A 54 19.873 -18.046 2.877 1.00 21.33 C ATOM 758 O ASP A 54 19.484 -17.617 1.792 1.00 53.03 O ATOM 759 CB ASP A 54 21.250 -16.543 4.328 1.00 62.02 C ATOM 760 CG ASP A 54 22.633 -16.148 4.807 1.00 42.42 C ATOM 761 OD1 ASP A 54 23.063 -15.014 4.508 1.00 44.23 O ATOM 762 OD2 ASP A 54 23.285 -16.972 5.481 1.00 0.34 O ATOM 0 H ASP A 54 22.403 -16.493 2.119 1.00 75.11 H new ATOM 0 HA ASP A 54 21.654 -18.613 3.915 1.00 15.05 H new ATOM 0 HB2 ASP A 54 20.787 -15.695 3.824 1.00 62.02 H new ATOM 0 HB3 ASP A 54 20.625 -16.782 5.188 1.00 62.02 H new ATOM 767 N GLN A 55 19.115 -18.791 3.676 1.00 4.21 N ATOM 768 CA GLN A 55 17.751 -19.155 3.313 1.00 51.21 C ATOM 769 C GLN A 55 16.754 -18.135 3.852 1.00 54.40 C ATOM 770 O GLN A 55 16.875 -17.671 4.987 1.00 65.13 O ATOM 771 CB GLN A 55 17.413 -20.548 3.847 1.00 12.30 C ATOM 772 CG GLN A 55 18.065 -21.675 3.063 1.00 51.23 C ATOM 773 CD GLN A 55 18.317 -22.906 3.910 1.00 34.24 C ATOM 774 OE1 GLN A 55 18.774 -22.807 5.049 1.00 31.04 O ATOM 775 NE2 GLN A 55 18.018 -24.076 3.358 1.00 24.43 N ATOM 0 H GLN A 55 19.423 -19.154 4.578 1.00 4.21 H new ATOM 0 HA GLN A 55 17.681 -19.164 2.225 1.00 51.21 H new ATOM 0 HB2 GLN A 55 17.725 -20.614 4.889 1.00 12.30 H new ATOM 0 HB3 GLN A 55 16.331 -20.682 3.829 1.00 12.30 H new ATOM 0 HG2 GLN A 55 17.427 -21.943 2.221 1.00 51.23 H new ATOM 0 HG3 GLN A 55 19.010 -21.324 2.648 1.00 51.23 H new ATOM 0 HE21 GLN A 55 17.641 -24.112 2.411 1.00 24.43 H new ATOM 0 HE22 GLN A 55 18.165 -24.939 3.881 1.00 24.43 H new ATOM 784 N LEU A 56 15.768 -17.788 3.032 1.00 74.32 N ATOM 785 CA LEU A 56 14.748 -16.822 3.426 1.00 3.10 C ATOM 786 C LEU A 56 13.360 -17.454 3.403 1.00 65.34 C ATOM 787 O LEU A 56 12.876 -17.874 2.352 1.00 74.22 O ATOM 788 CB LEU A 56 14.783 -15.607 2.498 1.00 43.24 C ATOM 789 CG LEU A 56 13.542 -14.714 2.513 1.00 73.41 C ATOM 790 CD1 LEU A 56 13.934 -13.252 2.370 1.00 54.00 C ATOM 791 CD2 LEU A 56 12.579 -15.121 1.407 1.00 60.13 C ATOM 0 H LEU A 56 15.653 -18.161 2.090 1.00 74.32 H new ATOM 0 HA LEU A 56 14.963 -16.500 4.445 1.00 3.10 H new ATOM 0 HB2 LEU A 56 15.647 -14.998 2.763 1.00 43.24 H new ATOM 0 HB3 LEU A 56 14.941 -15.958 1.478 1.00 43.24 H new ATOM 0 HG LEU A 56 13.038 -14.841 3.471 1.00 73.41 H new ATOM 0 HD11 LEU A 56 13.038 -12.632 2.383 1.00 54.00 H new ATOM 0 HD12 LEU A 56 14.584 -12.967 3.197 1.00 54.00 H new ATOM 0 HD13 LEU A 56 14.462 -13.107 1.427 1.00 54.00 H new ATOM 0 HD21 LEU A 56 11.702 -14.475 1.433 1.00 60.13 H new ATOM 0 HD22 LEU A 56 13.073 -15.024 0.440 1.00 60.13 H new ATOM 0 HD23 LEU A 56 12.272 -16.156 1.555 1.00 60.13 H new ATOM 803 N VAL A 57 12.725 -17.517 4.568 1.00 34.23 N ATOM 804 CA VAL A 57 11.391 -18.095 4.681 1.00 32.04 C ATOM 805 C VAL A 57 10.382 -17.058 5.163 1.00 71.42 C ATOM 806 O VAL A 57 9.263 -16.984 4.655 1.00 32.01 O ATOM 807 CB VAL A 57 11.379 -19.294 5.648 1.00 72.43 C ATOM 808 CG1 VAL A 57 12.095 -20.486 5.030 1.00 51.54 C ATOM 809 CG2 VAL A 57 12.011 -18.913 6.978 1.00 43.04 C ATOM 0 H VAL A 57 13.112 -17.175 5.447 1.00 34.23 H new ATOM 0 HA VAL A 57 11.109 -18.437 3.685 1.00 32.04 H new ATOM 0 HB VAL A 57 10.343 -19.579 5.833 1.00 72.43 H new ATOM 0 HG11 VAL A 57 12.076 -21.323 5.728 1.00 51.54 H new ATOM 0 HG12 VAL A 57 11.593 -20.773 4.106 1.00 51.54 H new ATOM 0 HG13 VAL A 57 13.129 -20.217 4.813 1.00 51.54 H new ATOM 0 HG21 VAL A 57 11.994 -19.772 7.648 1.00 43.04 H new ATOM 0 HG22 VAL A 57 13.043 -18.601 6.815 1.00 43.04 H new ATOM 0 HG23 VAL A 57 11.450 -18.092 7.425 1.00 43.04 H new ATOM 819 N ARG A 58 10.786 -16.259 6.145 1.00 34.51 N ATOM 820 CA ARG A 58 9.916 -15.227 6.696 1.00 4.21 C ATOM 821 C ARG A 58 8.562 -15.809 7.089 1.00 31.02 C ATOM 822 O ARG A 58 7.542 -15.121 7.045 1.00 0.30 O ATOM 823 CB ARG A 58 9.723 -14.098 5.682 1.00 64.13 C ATOM 824 CG ARG A 58 9.338 -12.770 6.314 1.00 62.54 C ATOM 825 CD ARG A 58 8.045 -12.228 5.725 1.00 1.15 C ATOM 826 NE ARG A 58 7.465 -11.177 6.556 1.00 13.55 N ATOM 827 CZ ARG A 58 6.815 -11.411 7.691 1.00 74.21 C ATOM 828 NH1 ARG A 58 6.663 -12.654 8.127 1.00 23.12 N ATOM 829 NH2 ARG A 58 6.315 -10.401 8.392 1.00 73.43 N ATOM 0 H ARG A 58 11.710 -16.306 6.575 1.00 34.51 H new ATOM 0 HA ARG A 58 10.392 -14.826 7.590 1.00 4.21 H new ATOM 0 HB2 ARG A 58 10.646 -13.968 5.116 1.00 64.13 H new ATOM 0 HB3 ARG A 58 8.951 -14.389 4.970 1.00 64.13 H new ATOM 0 HG2 ARG A 58 9.224 -12.897 7.390 1.00 62.54 H new ATOM 0 HG3 ARG A 58 10.140 -12.047 6.162 1.00 62.54 H new ATOM 0 HD2 ARG A 58 8.238 -11.836 4.726 1.00 1.15 H new ATOM 0 HD3 ARG A 58 7.327 -13.041 5.615 1.00 1.15 H new ATOM 0 HE ARG A 58 7.564 -10.210 6.248 1.00 13.55 H new ATOM 0 HH11 ARG A 58 7.045 -13.433 7.591 1.00 23.12 H new ATOM 0 HH12 ARG A 58 6.164 -12.831 8.999 1.00 23.12 H new ATOM 0 HH21 ARG A 58 6.429 -9.443 8.060 1.00 73.43 H new ATOM 0 HH22 ARG A 58 5.816 -10.582 9.263 1.00 73.43 H new ATOM 843 N PHE A 59 8.559 -17.081 7.473 1.00 25.31 N ATOM 844 CA PHE A 59 7.330 -17.757 7.872 1.00 5.05 C ATOM 845 C PHE A 59 7.584 -18.699 9.045 1.00 25.44 C ATOM 846 O PHE A 59 8.655 -19.296 9.156 1.00 42.25 O ATOM 847 CB PHE A 59 6.746 -18.538 6.693 1.00 3.14 C ATOM 848 CG PHE A 59 6.179 -17.660 5.615 1.00 12.31 C ATOM 849 CD1 PHE A 59 5.318 -16.621 5.931 1.00 44.42 C ATOM 850 CD2 PHE A 59 6.505 -17.874 4.286 1.00 42.13 C ATOM 851 CE1 PHE A 59 4.795 -15.810 4.941 1.00 74.40 C ATOM 852 CE2 PHE A 59 5.985 -17.067 3.292 1.00 51.33 C ATOM 853 CZ PHE A 59 5.128 -16.035 3.620 1.00 54.44 C ATOM 0 H PHE A 59 9.394 -17.665 7.516 1.00 25.31 H new ATOM 0 HA PHE A 59 6.613 -16.998 8.186 1.00 5.05 H new ATOM 0 HB2 PHE A 59 7.524 -19.169 6.264 1.00 3.14 H new ATOM 0 HB3 PHE A 59 5.963 -19.202 7.059 1.00 3.14 H new ATOM 0 HD1 PHE A 59 5.053 -16.443 6.963 1.00 44.42 H new ATOM 0 HD2 PHE A 59 7.173 -18.681 4.024 1.00 42.13 H new ATOM 0 HE1 PHE A 59 4.127 -15.002 5.200 1.00 74.40 H new ATOM 0 HE2 PHE A 59 6.249 -17.243 2.260 1.00 51.33 H new ATOM 0 HZ PHE A 59 4.719 -15.405 2.844 1.00 54.44 H new ATOM 863 N ALA A 60 6.592 -18.827 9.920 1.00 74.45 N ATOM 864 CA ALA A 60 6.706 -19.698 11.083 1.00 11.43 C ATOM 865 C ALA A 60 6.569 -21.164 10.688 1.00 43.01 C ATOM 866 O ALA A 60 5.471 -21.641 10.403 1.00 4.52 O ATOM 867 CB ALA A 60 5.658 -19.329 12.123 1.00 75.33 C ATOM 0 H ALA A 60 5.700 -18.338 9.845 1.00 74.45 H new ATOM 0 HA ALA A 60 7.697 -19.557 11.515 1.00 11.43 H new ATOM 0 HB1 ALA A 60 5.754 -19.987 12.986 1.00 75.33 H new ATOM 0 HB2 ALA A 60 5.805 -18.295 12.437 1.00 75.33 H new ATOM 0 HB3 ALA A 60 4.663 -19.439 11.692 1.00 75.33 H new ATOM 873 N GLY A 61 7.693 -21.875 10.672 1.00 74.21 N ATOM 874 CA GLY A 61 7.676 -23.280 10.309 1.00 70.20 C ATOM 875 C GLY A 61 8.755 -23.632 9.304 1.00 31.32 C ATOM 876 O GLY A 61 8.893 -24.791 8.911 1.00 31.15 O ATOM 0 H GLY A 61 8.614 -21.503 10.904 1.00 74.21 H new ATOM 0 HA2 GLY A 61 7.808 -23.885 11.206 1.00 70.20 H new ATOM 0 HA3 GLY A 61 6.700 -23.533 9.894 1.00 70.20 H new ATOM 880 N TYR A 62 9.521 -22.631 8.886 1.00 54.14 N ATOM 881 CA TYR A 62 10.590 -22.840 7.917 1.00 41.21 C ATOM 882 C TYR A 62 10.038 -23.390 6.605 1.00 14.25 C ATOM 883 O TYR A 62 10.652 -24.247 5.969 1.00 51.30 O ATOM 884 CB TYR A 62 11.639 -23.798 8.483 1.00 64.11 C ATOM 885 CG TYR A 62 11.879 -23.627 9.966 1.00 52.50 C ATOM 886 CD1 TYR A 62 11.278 -24.474 10.889 1.00 42.00 C ATOM 887 CD2 TYR A 62 12.704 -22.617 10.444 1.00 4.33 C ATOM 888 CE1 TYR A 62 11.493 -24.321 12.245 1.00 44.30 C ATOM 889 CE2 TYR A 62 12.926 -22.457 11.798 1.00 4.14 C ATOM 890 CZ TYR A 62 12.319 -23.311 12.695 1.00 74.23 C ATOM 891 OH TYR A 62 12.536 -23.154 14.044 1.00 21.44 O ATOM 0 H TYR A 62 9.422 -21.667 9.203 1.00 54.14 H new ATOM 0 HA TYR A 62 11.058 -21.876 7.717 1.00 41.21 H new ATOM 0 HB2 TYR A 62 11.324 -24.823 8.291 1.00 64.11 H new ATOM 0 HB3 TYR A 62 12.579 -23.649 7.952 1.00 64.11 H new ATOM 0 HD1 TYR A 62 10.632 -25.266 10.540 1.00 42.00 H new ATOM 0 HD2 TYR A 62 13.180 -21.945 9.745 1.00 4.33 H new ATOM 0 HE1 TYR A 62 11.017 -24.988 12.949 1.00 44.30 H new ATOM 0 HE2 TYR A 62 13.572 -21.667 12.152 1.00 4.14 H new ATOM 0 HH TYR A 62 12.596 -24.034 14.470 1.00 21.44 H new ATOM 901 N THR A 63 8.872 -22.890 6.206 1.00 42.01 N ATOM 902 CA THR A 63 8.235 -23.330 4.971 1.00 11.03 C ATOM 903 C THR A 63 8.078 -22.173 3.991 1.00 60.30 C ATOM 904 O THR A 63 7.905 -21.023 4.395 1.00 63.14 O ATOM 905 CB THR A 63 6.851 -23.949 5.243 1.00 13.23 C ATOM 906 OG1 THR A 63 6.181 -24.215 4.006 1.00 65.23 O ATOM 907 CG2 THR A 63 6.000 -23.019 6.096 1.00 63.04 C ATOM 0 H THR A 63 8.350 -22.180 6.720 1.00 42.01 H new ATOM 0 HA THR A 63 8.884 -24.088 4.533 1.00 11.03 H new ATOM 0 HB THR A 63 6.996 -24.883 5.785 1.00 13.23 H new ATOM 0 HG1 THR A 63 5.303 -24.610 4.188 1.00 65.23 H new ATOM 0 HG21 THR A 63 5.027 -23.477 6.275 1.00 63.04 H new ATOM 0 HG22 THR A 63 6.498 -22.842 7.049 1.00 63.04 H new ATOM 0 HG23 THR A 63 5.864 -22.071 5.576 1.00 63.04 H new ATOM 915 N VAL A 64 8.139 -22.485 2.700 1.00 34.22 N ATOM 916 CA VAL A 64 8.001 -21.471 1.661 1.00 23.35 C ATOM 917 C VAL A 64 7.273 -22.028 0.443 1.00 2.21 C ATOM 918 O VAL A 64 7.285 -23.234 0.195 1.00 22.15 O ATOM 919 CB VAL A 64 9.374 -20.929 1.222 1.00 42.31 C ATOM 920 CG1 VAL A 64 9.206 -19.703 0.337 1.00 74.11 C ATOM 921 CG2 VAL A 64 10.233 -20.606 2.436 1.00 74.14 C ATOM 0 H VAL A 64 8.283 -23.432 2.349 1.00 34.22 H new ATOM 0 HA VAL A 64 7.416 -20.656 2.088 1.00 23.35 H new ATOM 0 HB VAL A 64 9.881 -21.700 0.642 1.00 42.31 H new ATOM 0 HG11 VAL A 64 10.187 -19.334 0.037 1.00 74.11 H new ATOM 0 HG12 VAL A 64 8.632 -19.970 -0.550 1.00 74.11 H new ATOM 0 HG13 VAL A 64 8.679 -18.925 0.889 1.00 74.11 H new ATOM 0 HG21 VAL A 64 11.199 -20.224 2.107 1.00 74.14 H new ATOM 0 HG22 VAL A 64 9.734 -19.852 3.045 1.00 74.14 H new ATOM 0 HG23 VAL A 64 10.382 -21.510 3.027 1.00 74.14 H new ATOM 931 N THR A 65 6.639 -21.140 -0.317 1.00 70.40 N ATOM 932 CA THR A 65 5.904 -21.542 -1.510 1.00 24.21 C ATOM 933 C THR A 65 6.763 -21.391 -2.761 1.00 35.32 C ATOM 934 O THR A 65 7.149 -22.381 -3.381 1.00 45.25 O ATOM 935 CB THR A 65 4.616 -20.715 -1.682 1.00 5.12 C ATOM 936 OG1 THR A 65 4.492 -19.774 -0.609 1.00 73.35 O ATOM 937 CG2 THR A 65 3.393 -21.619 -1.715 1.00 43.34 C ATOM 0 H THR A 65 6.620 -20.138 -0.127 1.00 70.40 H new ATOM 0 HA THR A 65 5.638 -22.591 -1.379 1.00 24.21 H new ATOM 0 HB THR A 65 4.677 -20.179 -2.629 1.00 5.12 H new ATOM 0 HG1 THR A 65 3.559 -19.483 -0.535 1.00 73.35 H new ATOM 0 HG21 THR A 65 2.496 -21.013 -1.837 1.00 43.34 H new ATOM 0 HG22 THR A 65 3.477 -22.315 -2.550 1.00 43.34 H new ATOM 0 HG23 THR A 65 3.329 -22.178 -0.782 1.00 43.34 H new ATOM 945 N GLU A 66 7.057 -20.147 -3.125 1.00 14.13 N ATOM 946 CA GLU A 66 7.870 -19.868 -4.303 1.00 34.24 C ATOM 947 C GLU A 66 8.056 -18.365 -4.492 1.00 21.52 C ATOM 948 O GLU A 66 7.568 -17.563 -3.696 1.00 15.44 O ATOM 949 CB GLU A 66 7.224 -20.474 -5.550 1.00 72.15 C ATOM 950 CG GLU A 66 5.745 -20.154 -5.687 1.00 34.45 C ATOM 951 CD GLU A 66 5.255 -20.258 -7.118 1.00 34.23 C ATOM 952 OE1 GLU A 66 4.104 -20.701 -7.320 1.00 2.34 O ATOM 953 OE2 GLU A 66 6.021 -19.898 -8.035 1.00 53.44 O ATOM 0 H GLU A 66 6.745 -19.317 -2.622 1.00 14.13 H new ATOM 0 HA GLU A 66 8.850 -20.322 -4.153 1.00 34.24 H new ATOM 0 HB2 GLU A 66 7.749 -20.111 -6.434 1.00 72.15 H new ATOM 0 HB3 GLU A 66 7.352 -21.556 -5.526 1.00 72.15 H new ATOM 0 HG2 GLU A 66 5.170 -20.835 -5.060 1.00 34.45 H new ATOM 0 HG3 GLU A 66 5.559 -19.146 -5.316 1.00 34.45 H new ATOM 960 N LEU A 67 8.766 -17.992 -5.551 1.00 23.35 N ATOM 961 CA LEU A 67 9.019 -16.586 -5.845 1.00 72.05 C ATOM 962 C LEU A 67 7.712 -15.802 -5.920 1.00 64.32 C ATOM 963 O LEU A 67 7.684 -14.599 -5.664 1.00 54.14 O ATOM 964 CB LEU A 67 9.784 -16.450 -7.163 1.00 24.32 C ATOM 965 CG LEU A 67 9.138 -17.104 -8.385 1.00 3.10 C ATOM 966 CD1 LEU A 67 8.177 -16.139 -9.061 1.00 13.34 C ATOM 967 CD2 LEU A 67 10.204 -17.572 -9.365 1.00 51.23 C ATOM 0 H LEU A 67 9.177 -18.643 -6.220 1.00 23.35 H new ATOM 0 HA LEU A 67 9.623 -16.174 -5.037 1.00 72.05 H new ATOM 0 HB2 LEU A 67 9.920 -15.389 -7.373 1.00 24.32 H new ATOM 0 HB3 LEU A 67 10.777 -16.878 -7.029 1.00 24.32 H new ATOM 0 HG LEU A 67 8.572 -17.974 -8.051 1.00 3.10 H new ATOM 0 HD11 LEU A 67 7.727 -16.622 -9.928 1.00 13.34 H new ATOM 0 HD12 LEU A 67 7.395 -15.853 -8.358 1.00 13.34 H new ATOM 0 HD13 LEU A 67 8.720 -15.250 -9.382 1.00 13.34 H new ATOM 0 HD21 LEU A 67 9.726 -18.035 -10.229 1.00 51.23 H new ATOM 0 HD22 LEU A 67 10.797 -16.718 -9.693 1.00 51.23 H new ATOM 0 HD23 LEU A 67 10.853 -18.299 -8.877 1.00 51.23 H new ATOM 979 N ALA A 68 6.633 -16.494 -6.270 1.00 52.45 N ATOM 980 CA ALA A 68 5.323 -15.863 -6.375 1.00 34.45 C ATOM 981 C ALA A 68 4.824 -15.405 -5.008 1.00 71.03 C ATOM 982 O ALA A 68 4.241 -14.329 -4.879 1.00 4.21 O ATOM 983 CB ALA A 68 4.325 -16.821 -7.009 1.00 30.55 C ATOM 0 H ALA A 68 6.640 -17.491 -6.486 1.00 52.45 H new ATOM 0 HA ALA A 68 5.420 -14.983 -7.011 1.00 34.45 H new ATOM 0 HB1 ALA A 68 3.351 -16.337 -7.081 1.00 30.55 H new ATOM 0 HB2 ALA A 68 4.668 -17.096 -8.006 1.00 30.55 H new ATOM 0 HB3 ALA A 68 4.240 -17.717 -6.394 1.00 30.55 H new ATOM 989 N ALA A 69 5.056 -16.229 -3.992 1.00 32.12 N ATOM 990 CA ALA A 69 4.631 -15.907 -2.635 1.00 61.22 C ATOM 991 C ALA A 69 5.417 -14.724 -2.080 1.00 21.31 C ATOM 992 O ALA A 69 4.885 -13.914 -1.321 1.00 40.32 O ATOM 993 CB ALA A 69 4.790 -17.120 -1.731 1.00 31.25 C ATOM 0 H ALA A 69 5.536 -17.125 -4.083 1.00 32.12 H new ATOM 0 HA ALA A 69 3.578 -15.627 -2.667 1.00 61.22 H new ATOM 0 HB1 ALA A 69 4.469 -16.866 -0.721 1.00 31.25 H new ATOM 0 HB2 ALA A 69 4.179 -17.939 -2.110 1.00 31.25 H new ATOM 0 HB3 ALA A 69 5.836 -17.426 -1.713 1.00 31.25 H new ATOM 999 N PHE A 70 6.686 -14.632 -2.462 1.00 45.41 N ATOM 1000 CA PHE A 70 7.547 -13.548 -2.001 1.00 34.22 C ATOM 1001 C PHE A 70 7.291 -12.273 -2.799 1.00 71.21 C ATOM 1002 O PHE A 70 7.421 -11.166 -2.279 1.00 64.01 O ATOM 1003 CB PHE A 70 9.018 -13.951 -2.119 1.00 50.02 C ATOM 1004 CG PHE A 70 9.962 -12.964 -1.494 1.00 32.13 C ATOM 1005 CD1 PHE A 70 10.002 -12.800 -0.119 1.00 1.34 C ATOM 1006 CD2 PHE A 70 10.808 -12.200 -2.281 1.00 65.51 C ATOM 1007 CE1 PHE A 70 10.870 -11.893 0.460 1.00 13.33 C ATOM 1008 CE2 PHE A 70 11.678 -11.292 -1.708 1.00 25.31 C ATOM 1009 CZ PHE A 70 11.708 -11.137 -0.336 1.00 23.33 C ATOM 0 H PHE A 70 7.142 -15.295 -3.090 1.00 45.41 H new ATOM 0 HA PHE A 70 7.314 -13.353 -0.954 1.00 34.22 H new ATOM 0 HB2 PHE A 70 9.159 -14.924 -1.649 1.00 50.02 H new ATOM 0 HB3 PHE A 70 9.271 -14.067 -3.173 1.00 50.02 H new ATOM 0 HD1 PHE A 70 9.348 -13.387 0.508 1.00 1.34 H new ATOM 0 HD2 PHE A 70 10.787 -12.315 -3.355 1.00 65.51 H new ATOM 0 HE1 PHE A 70 10.893 -11.776 1.533 1.00 13.33 H new ATOM 0 HE2 PHE A 70 12.334 -10.704 -2.333 1.00 25.31 H new ATOM 0 HZ PHE A 70 12.385 -10.426 0.114 1.00 23.33 H new ATOM 1019 N ASN A 71 6.926 -12.439 -4.066 1.00 42.24 N ATOM 1020 CA ASN A 71 6.653 -11.302 -4.938 1.00 41.20 C ATOM 1021 C ASN A 71 5.516 -10.451 -4.381 1.00 52.45 C ATOM 1022 O ASN A 71 5.600 -9.222 -4.353 1.00 64.33 O ATOM 1023 CB ASN A 71 6.301 -11.785 -6.346 1.00 62.24 C ATOM 1024 CG ASN A 71 5.908 -10.646 -7.267 1.00 71.21 C ATOM 1025 OD1 ASN A 71 4.768 -10.182 -7.246 1.00 40.32 O ATOM 1026 ND2 ASN A 71 6.853 -10.191 -8.082 1.00 13.13 N ATOM 0 H ASN A 71 6.812 -13.349 -4.512 1.00 42.24 H new ATOM 0 HA ASN A 71 7.553 -10.689 -4.986 1.00 41.20 H new ATOM 0 HB2 ASN A 71 7.155 -12.313 -6.770 1.00 62.24 H new ATOM 0 HB3 ASN A 71 5.481 -12.501 -6.287 1.00 62.24 H new ATOM 0 HD21 ASN A 71 6.647 -9.426 -8.725 1.00 13.13 H new ATOM 0 HD22 ASN A 71 7.785 -10.606 -8.065 1.00 13.13 H new ATOM 1033 N THR A 72 4.451 -11.112 -3.938 1.00 40.12 N ATOM 1034 CA THR A 72 3.296 -10.417 -3.383 1.00 25.22 C ATOM 1035 C THR A 72 3.641 -9.753 -2.055 1.00 1.41 C ATOM 1036 O THR A 72 3.141 -8.672 -1.741 1.00 74.45 O ATOM 1037 CB THR A 72 2.111 -11.378 -3.171 1.00 3.03 C ATOM 1038 OG1 THR A 72 2.429 -12.671 -3.697 1.00 74.25 O ATOM 1039 CG2 THR A 72 0.855 -10.845 -3.844 1.00 4.15 C ATOM 0 H THR A 72 4.364 -12.128 -3.953 1.00 40.12 H new ATOM 0 HA THR A 72 3.009 -9.652 -4.105 1.00 25.22 H new ATOM 0 HB THR A 72 1.924 -11.458 -2.100 1.00 3.03 H new ATOM 0 HG1 THR A 72 1.671 -13.277 -3.557 1.00 74.25 H new ATOM 0 HG21 THR A 72 0.032 -11.540 -3.681 1.00 4.15 H new ATOM 0 HG22 THR A 72 0.599 -9.874 -3.420 1.00 4.15 H new ATOM 0 HG23 THR A 72 1.033 -10.738 -4.914 1.00 4.15 H new ATOM 1047 N VAL A 73 4.500 -10.405 -1.277 1.00 51.54 N ATOM 1048 CA VAL A 73 4.913 -9.875 0.017 1.00 61.32 C ATOM 1049 C VAL A 73 5.798 -8.645 -0.150 1.00 21.24 C ATOM 1050 O VAL A 73 5.668 -7.669 0.589 1.00 23.02 O ATOM 1051 CB VAL A 73 5.673 -10.933 0.839 1.00 32.21 C ATOM 1052 CG1 VAL A 73 6.171 -10.337 2.146 1.00 4.34 C ATOM 1053 CG2 VAL A 73 4.787 -12.142 1.099 1.00 61.52 C ATOM 0 H VAL A 73 4.923 -11.301 -1.521 1.00 51.54 H new ATOM 0 HA VAL A 73 4.004 -9.595 0.550 1.00 61.32 H new ATOM 0 HB VAL A 73 6.539 -11.262 0.264 1.00 32.21 H new ATOM 0 HG11 VAL A 73 6.705 -11.099 2.713 1.00 4.34 H new ATOM 0 HG12 VAL A 73 6.842 -9.505 1.934 1.00 4.34 H new ATOM 0 HG13 VAL A 73 5.323 -9.979 2.729 1.00 4.34 H new ATOM 0 HG21 VAL A 73 5.340 -12.880 1.681 1.00 61.52 H new ATOM 0 HG22 VAL A 73 3.902 -11.832 1.654 1.00 61.52 H new ATOM 0 HG23 VAL A 73 4.484 -12.582 0.149 1.00 61.52 H new ATOM 1063 N VAL A 74 6.699 -8.698 -1.126 1.00 34.40 N ATOM 1064 CA VAL A 74 7.605 -7.588 -1.391 1.00 40.34 C ATOM 1065 C VAL A 74 6.833 -6.308 -1.694 1.00 32.43 C ATOM 1066 O VAL A 74 7.240 -5.217 -1.296 1.00 74.22 O ATOM 1067 CB VAL A 74 8.543 -7.899 -2.572 1.00 45.04 C ATOM 1068 CG1 VAL A 74 9.384 -6.681 -2.922 1.00 42.41 C ATOM 1069 CG2 VAL A 74 9.429 -9.093 -2.248 1.00 52.25 C ATOM 0 H VAL A 74 6.820 -9.499 -1.746 1.00 34.40 H new ATOM 0 HA VAL A 74 8.201 -7.445 -0.490 1.00 40.34 H new ATOM 0 HB VAL A 74 7.934 -8.152 -3.440 1.00 45.04 H new ATOM 0 HG11 VAL A 74 10.040 -6.920 -3.759 1.00 42.41 H new ATOM 0 HG12 VAL A 74 8.730 -5.854 -3.199 1.00 42.41 H new ATOM 0 HG13 VAL A 74 9.986 -6.394 -2.059 1.00 42.41 H new ATOM 0 HG21 VAL A 74 10.086 -9.299 -3.093 1.00 52.25 H new ATOM 0 HG22 VAL A 74 10.031 -8.871 -1.367 1.00 52.25 H new ATOM 0 HG23 VAL A 74 8.806 -9.966 -2.051 1.00 52.25 H new ATOM 1079 N ALA A 75 5.716 -6.451 -2.399 1.00 53.24 N ATOM 1080 CA ALA A 75 4.884 -5.307 -2.753 1.00 45.10 C ATOM 1081 C ALA A 75 4.353 -4.608 -1.506 1.00 44.22 C ATOM 1082 O ALA A 75 4.362 -3.380 -1.420 1.00 44.33 O ATOM 1083 CB ALA A 75 3.733 -5.747 -3.645 1.00 12.14 C ATOM 0 H ALA A 75 5.366 -7.348 -2.736 1.00 53.24 H new ATOM 0 HA ALA A 75 5.502 -4.596 -3.301 1.00 45.10 H new ATOM 0 HB1 ALA A 75 3.120 -4.883 -3.901 1.00 12.14 H new ATOM 0 HB2 ALA A 75 4.130 -6.194 -4.557 1.00 12.14 H new ATOM 0 HB3 ALA A 75 3.123 -6.480 -3.117 1.00 12.14 H new ATOM 1089 N ARG A 76 3.891 -5.397 -0.542 1.00 71.44 N ATOM 1090 CA ARG A 76 3.354 -4.853 0.699 1.00 30.41 C ATOM 1091 C ARG A 76 4.479 -4.454 1.649 1.00 22.43 C ATOM 1092 O ARG A 76 4.303 -3.590 2.509 1.00 62.22 O ATOM 1093 CB ARG A 76 2.439 -5.876 1.376 1.00 64.34 C ATOM 1094 CG ARG A 76 1.556 -6.641 0.403 1.00 41.40 C ATOM 1095 CD ARG A 76 0.862 -5.704 -0.573 1.00 15.20 C ATOM 1096 NE ARG A 76 -0.378 -6.276 -1.093 1.00 5.20 N ATOM 1097 CZ ARG A 76 -1.253 -5.593 -1.821 1.00 54.44 C ATOM 1098 NH1 ARG A 76 -1.027 -4.320 -2.115 1.00 1.43 N ATOM 1099 NH2 ARG A 76 -2.358 -6.183 -2.259 1.00 34.04 N ATOM 0 H ARG A 76 3.878 -6.415 -0.597 1.00 71.44 H new ATOM 0 HA ARG A 76 2.774 -3.963 0.455 1.00 30.41 H new ATOM 0 HB2 ARG A 76 3.051 -6.585 1.933 1.00 64.34 H new ATOM 0 HB3 ARG A 76 1.807 -5.362 2.100 1.00 64.34 H new ATOM 0 HG2 ARG A 76 2.160 -7.361 -0.149 1.00 41.40 H new ATOM 0 HG3 ARG A 76 0.809 -7.209 0.957 1.00 41.40 H new ATOM 0 HD2 ARG A 76 0.645 -4.759 -0.076 1.00 15.20 H new ATOM 0 HD3 ARG A 76 1.534 -5.481 -1.402 1.00 15.20 H new ATOM 0 HE ARG A 76 -0.582 -7.253 -0.885 1.00 5.20 H new ATOM 0 HH11 ARG A 76 -0.179 -3.862 -1.782 1.00 1.43 H new ATOM 0 HH12 ARG A 76 -1.702 -3.798 -2.675 1.00 1.43 H new ATOM 0 HH21 ARG A 76 -2.536 -7.162 -2.036 1.00 34.04 H new ATOM 0 HH22 ARG A 76 -3.030 -5.657 -2.818 1.00 34.04 H new ATOM 1113 N HIS A 77 5.636 -5.090 1.489 1.00 34.21 N ATOM 1114 CA HIS A 77 6.790 -4.802 2.333 1.00 50.44 C ATOM 1115 C HIS A 77 7.471 -3.508 1.897 1.00 2.31 C ATOM 1116 O HIS A 77 7.932 -2.726 2.729 1.00 22.32 O ATOM 1117 CB HIS A 77 7.788 -5.959 2.282 1.00 74.15 C ATOM 1118 CG HIS A 77 9.090 -5.657 2.956 1.00 22.44 C ATOM 1119 ND1 HIS A 77 9.193 -4.839 4.062 1.00 64.53 N ATOM 1120 CD2 HIS A 77 10.348 -6.071 2.677 1.00 5.14 C ATOM 1121 CE1 HIS A 77 10.459 -4.761 4.432 1.00 20.53 C ATOM 1122 NE2 HIS A 77 11.181 -5.500 3.609 1.00 74.22 N ATOM 0 H HIS A 77 5.799 -5.808 0.783 1.00 34.21 H new ATOM 0 HA HIS A 77 6.439 -4.681 3.358 1.00 50.44 H new ATOM 0 HB2 HIS A 77 7.340 -6.835 2.751 1.00 74.15 H new ATOM 0 HB3 HIS A 77 7.979 -6.218 1.240 1.00 74.15 H new ATOM 0 HD1 HIS A 77 8.414 -4.368 4.522 1.00 64.53 H new ATOM 0 HD2 HIS A 77 10.642 -6.728 1.872 1.00 5.14 H new ATOM 0 HE1 HIS A 77 10.839 -4.190 5.266 1.00 20.53 H new ATOM 1130 N VAL A 78 7.532 -3.288 0.587 1.00 32.25 N ATOM 1131 CA VAL A 78 8.156 -2.089 0.041 1.00 23.23 C ATOM 1132 C VAL A 78 7.554 -0.829 0.652 1.00 10.02 C ATOM 1133 O VAL A 78 6.428 -0.448 0.331 1.00 20.42 O ATOM 1134 CB VAL A 78 8.006 -2.026 -1.490 1.00 64.33 C ATOM 1135 CG1 VAL A 78 8.321 -0.628 -2.001 1.00 33.33 C ATOM 1136 CG2 VAL A 78 8.903 -3.060 -2.156 1.00 14.22 C ATOM 0 H VAL A 78 7.157 -3.925 -0.116 1.00 32.25 H new ATOM 0 HA VAL A 78 9.215 -2.141 0.293 1.00 23.23 H new ATOM 0 HB VAL A 78 6.972 -2.256 -1.746 1.00 64.33 H new ATOM 0 HG11 VAL A 78 8.210 -0.603 -3.085 1.00 33.33 H new ATOM 0 HG12 VAL A 78 7.634 0.088 -1.549 1.00 33.33 H new ATOM 0 HG13 VAL A 78 9.345 -0.366 -1.735 1.00 33.33 H new ATOM 0 HG21 VAL A 78 8.784 -3.002 -3.238 1.00 14.22 H new ATOM 0 HG22 VAL A 78 9.942 -2.863 -1.894 1.00 14.22 H new ATOM 0 HG23 VAL A 78 8.625 -4.057 -1.814 1.00 14.22 H new ATOM 1146 N ARG A 79 8.312 -0.185 1.534 1.00 73.10 N ATOM 1147 CA ARG A 79 7.852 1.033 2.191 1.00 64.32 C ATOM 1148 C ARG A 79 9.034 1.884 2.646 1.00 22.45 C ATOM 1149 O ARG A 79 10.140 1.388 2.866 1.00 73.15 O ATOM 1150 CB ARG A 79 6.966 0.688 3.389 1.00 3.13 C ATOM 1151 CG ARG A 79 5.504 1.051 3.190 1.00 72.33 C ATOM 1152 CD ARG A 79 4.839 1.429 4.504 1.00 21.32 C ATOM 1153 NE ARG A 79 3.440 1.805 4.322 1.00 50.44 N ATOM 1154 CZ ARG A 79 2.621 2.099 5.325 1.00 32.44 C ATOM 1155 NH1 ARG A 79 3.059 2.059 6.576 1.00 0.11 N ATOM 1156 NH2 ARG A 79 1.361 2.433 5.079 1.00 75.31 N ATOM 0 H ARG A 79 9.247 -0.486 1.810 1.00 73.10 H new ATOM 0 HA ARG A 79 7.269 1.607 1.471 1.00 64.32 H new ATOM 0 HB2 ARG A 79 7.042 -0.381 3.591 1.00 3.13 H new ATOM 0 HB3 ARG A 79 7.344 1.206 4.270 1.00 3.13 H new ATOM 0 HG2 ARG A 79 5.427 1.883 2.490 1.00 72.33 H new ATOM 0 HG3 ARG A 79 4.976 0.208 2.743 1.00 72.33 H new ATOM 0 HD2 ARG A 79 4.901 0.589 5.196 1.00 21.32 H new ATOM 0 HD3 ARG A 79 5.381 2.258 4.959 1.00 21.32 H new ATOM 0 HE ARG A 79 3.071 1.844 3.372 1.00 50.44 H new ATOM 0 HH11 ARG A 79 4.027 1.802 6.769 1.00 0.11 H new ATOM 0 HH12 ARG A 79 2.428 2.285 7.345 1.00 0.11 H new ATOM 0 HH21 ARG A 79 1.020 2.464 4.118 1.00 75.31 H new ATOM 0 HH22 ARG A 79 0.733 2.659 5.851 1.00 75.31 H new ATOM 1170 N PRO A 80 8.798 3.196 2.792 1.00 33.34 N ATOM 1171 CA PRO A 80 9.830 4.143 3.223 1.00 1.11 C ATOM 1172 C PRO A 80 10.220 3.951 4.685 1.00 53.13 C ATOM 1173 O PRO A 80 9.438 4.244 5.589 1.00 11.41 O ATOM 1174 CB PRO A 80 9.166 5.507 3.022 1.00 52.44 C ATOM 1175 CG PRO A 80 7.704 5.234 3.114 1.00 2.40 C ATOM 1176 CD PRO A 80 7.504 3.855 2.549 1.00 51.52 C ATOM 0 HA PRO A 80 10.757 4.018 2.663 1.00 1.11 H new ATOM 0 HB2 PRO A 80 9.485 6.218 3.784 1.00 52.44 H new ATOM 0 HB3 PRO A 80 9.428 5.936 2.055 1.00 52.44 H new ATOM 0 HG2 PRO A 80 7.362 5.286 4.148 1.00 2.40 H new ATOM 0 HG3 PRO A 80 7.133 5.973 2.552 1.00 2.40 H new ATOM 0 HD2 PRO A 80 6.687 3.332 3.046 1.00 51.52 H new ATOM 0 HD3 PRO A 80 7.263 3.887 1.487 1.00 51.52 H new ATOM 1184 N SER A 81 11.433 3.457 4.909 1.00 42.10 N ATOM 1185 CA SER A 81 11.925 3.223 6.262 1.00 62.25 C ATOM 1186 C SER A 81 11.041 2.219 6.995 1.00 70.11 C ATOM 1187 O SER A 81 10.763 2.373 8.184 1.00 74.23 O ATOM 1188 CB SER A 81 11.979 4.538 7.042 1.00 25.51 C ATOM 1189 OG SER A 81 12.561 5.569 6.264 1.00 41.12 O ATOM 0 H SER A 81 12.093 3.211 4.172 1.00 42.10 H new ATOM 0 HA SER A 81 12.931 2.810 6.190 1.00 62.25 H new ATOM 0 HB2 SER A 81 10.972 4.828 7.341 1.00 25.51 H new ATOM 0 HB3 SER A 81 12.556 4.399 7.956 1.00 25.51 H new ATOM 0 HG SER A 81 12.582 6.399 6.784 1.00 41.12 H new ATOM 1195 N ALA A 82 10.603 1.190 6.276 1.00 14.44 N ATOM 1196 CA ALA A 82 9.752 0.160 6.858 1.00 72.31 C ATOM 1197 C ALA A 82 10.580 -1.022 7.351 1.00 71.12 C ATOM 1198 O ALA A 82 11.226 -1.712 6.562 1.00 40.41 O ATOM 1199 CB ALA A 82 8.717 -0.305 5.844 1.00 41.14 C ATOM 0 H ALA A 82 10.824 1.048 5.290 1.00 14.44 H new ATOM 0 HA ALA A 82 9.236 0.592 7.716 1.00 72.31 H new ATOM 0 HB1 ALA A 82 8.088 -1.074 6.292 1.00 41.14 H new ATOM 0 HB2 ALA A 82 8.098 0.540 5.543 1.00 41.14 H new ATOM 0 HB3 ALA A 82 9.223 -0.714 4.969 1.00 41.14 H new ATOM 1205 N SER A 83 10.557 -1.250 8.660 1.00 34.01 N ATOM 1206 CA SER A 83 11.309 -2.346 9.259 1.00 63.23 C ATOM 1207 C SER A 83 10.381 -3.490 9.656 1.00 14.50 C ATOM 1208 O SER A 83 9.456 -3.306 10.448 1.00 54.42 O ATOM 1209 CB SER A 83 12.083 -1.853 10.483 1.00 35.02 C ATOM 1210 OG SER A 83 12.402 -0.478 10.365 1.00 41.43 O ATOM 0 H SER A 83 10.025 -0.690 9.326 1.00 34.01 H new ATOM 0 HA SER A 83 12.016 -2.717 8.516 1.00 63.23 H new ATOM 0 HB2 SER A 83 11.489 -2.016 11.382 1.00 35.02 H new ATOM 0 HB3 SER A 83 12.999 -2.433 10.596 1.00 35.02 H new ATOM 0 HG SER A 83 12.895 -0.187 11.161 1.00 41.43 H new ATOM 1216 N ILE A 84 10.634 -4.670 9.101 1.00 43.44 N ATOM 1217 CA ILE A 84 9.823 -5.843 9.397 1.00 35.32 C ATOM 1218 C ILE A 84 10.695 -7.030 9.790 1.00 63.51 C ATOM 1219 O ILE A 84 11.799 -7.218 9.277 1.00 73.21 O ATOM 1220 CB ILE A 84 8.946 -6.240 8.194 1.00 23.35 C ATOM 1221 CG1 ILE A 84 9.820 -6.746 7.044 1.00 14.03 C ATOM 1222 CG2 ILE A 84 8.099 -5.060 7.744 1.00 51.11 C ATOM 1223 CD1 ILE A 84 9.960 -8.252 7.009 1.00 54.32 C ATOM 0 H ILE A 84 11.395 -4.839 8.443 1.00 43.44 H new ATOM 0 HA ILE A 84 9.178 -5.577 10.234 1.00 35.32 H new ATOM 0 HB ILE A 84 8.278 -7.045 8.499 1.00 23.35 H new ATOM 0 HG12 ILE A 84 9.395 -6.407 6.099 1.00 14.03 H new ATOM 0 HG13 ILE A 84 10.811 -6.299 7.127 1.00 14.03 H new ATOM 0 HG21 ILE A 84 7.485 -5.356 6.893 1.00 51.11 H new ATOM 0 HG22 ILE A 84 7.455 -4.741 8.563 1.00 51.11 H new ATOM 0 HG23 ILE A 84 8.749 -4.235 7.452 1.00 51.11 H new ATOM 0 HD11 ILE A 84 10.592 -8.539 6.169 1.00 54.32 H new ATOM 0 HD12 ILE A 84 10.413 -8.597 7.939 1.00 54.32 H new ATOM 0 HD13 ILE A 84 8.976 -8.706 6.894 1.00 54.32 H new ATOM 1235 N PRO A 85 10.191 -7.854 10.721 1.00 54.41 N ATOM 1236 CA PRO A 85 10.907 -9.039 11.202 1.00 53.22 C ATOM 1237 C PRO A 85 10.995 -10.132 10.142 1.00 20.15 C ATOM 1238 O PRO A 85 10.078 -10.308 9.340 1.00 64.33 O ATOM 1239 CB PRO A 85 10.059 -9.509 12.386 1.00 31.23 C ATOM 1240 CG PRO A 85 8.691 -8.994 12.101 1.00 35.00 C ATOM 1241 CD PRO A 85 8.882 -7.691 11.376 1.00 54.15 C ATOM 0 HA PRO A 85 11.941 -8.813 11.464 1.00 53.22 H new ATOM 0 HB2 PRO A 85 10.063 -10.596 12.469 1.00 31.23 H new ATOM 0 HB3 PRO A 85 10.442 -9.116 13.328 1.00 31.23 H new ATOM 0 HG2 PRO A 85 8.127 -9.700 11.492 1.00 35.00 H new ATOM 0 HG3 PRO A 85 8.129 -8.849 13.023 1.00 35.00 H new ATOM 0 HD2 PRO A 85 8.088 -7.515 10.650 1.00 54.15 H new ATOM 0 HD3 PRO A 85 8.879 -6.845 12.063 1.00 54.15 H new ATOM 1249 N VAL A 86 12.104 -10.865 10.146 1.00 61.00 N ATOM 1250 CA VAL A 86 12.311 -11.943 9.186 1.00 3.30 C ATOM 1251 C VAL A 86 12.999 -13.136 9.839 1.00 5.14 C ATOM 1252 O VAL A 86 13.788 -12.978 10.772 1.00 54.21 O ATOM 1253 CB VAL A 86 13.154 -11.471 7.986 1.00 25.34 C ATOM 1254 CG1 VAL A 86 14.638 -11.544 8.315 1.00 51.51 C ATOM 1255 CG2 VAL A 86 12.833 -12.299 6.751 1.00 34.24 C ATOM 0 H VAL A 86 12.873 -10.732 10.803 1.00 61.00 H new ATOM 0 HA VAL A 86 11.325 -12.245 8.832 1.00 3.30 H new ATOM 0 HB VAL A 86 12.903 -10.432 7.774 1.00 25.34 H new ATOM 0 HG11 VAL A 86 15.218 -11.207 7.456 1.00 51.51 H new ATOM 0 HG12 VAL A 86 14.853 -10.905 9.171 1.00 51.51 H new ATOM 0 HG13 VAL A 86 14.908 -12.573 8.554 1.00 51.51 H new ATOM 0 HG21 VAL A 86 13.437 -11.952 5.913 1.00 34.24 H new ATOM 0 HG22 VAL A 86 13.055 -13.348 6.948 1.00 34.24 H new ATOM 0 HG23 VAL A 86 11.777 -12.191 6.505 1.00 34.24 H new ATOM 1265 N VAL A 87 12.697 -14.331 9.343 1.00 33.43 N ATOM 1266 CA VAL A 87 13.287 -15.553 9.878 1.00 43.34 C ATOM 1267 C VAL A 87 14.221 -16.202 8.862 1.00 53.32 C ATOM 1268 O VAL A 87 13.830 -16.468 7.725 1.00 31.21 O ATOM 1269 CB VAL A 87 12.204 -16.569 10.285 1.00 54.41 C ATOM 1270 CG1 VAL A 87 12.839 -17.865 10.763 1.00 5.13 C ATOM 1271 CG2 VAL A 87 11.299 -15.981 11.358 1.00 44.11 C ATOM 0 H VAL A 87 12.047 -14.480 8.571 1.00 33.43 H new ATOM 0 HA VAL A 87 13.857 -15.268 10.762 1.00 43.34 H new ATOM 0 HB VAL A 87 11.594 -16.794 9.410 1.00 54.41 H new ATOM 0 HG11 VAL A 87 12.058 -18.570 11.046 1.00 5.13 H new ATOM 0 HG12 VAL A 87 13.441 -18.293 9.961 1.00 5.13 H new ATOM 0 HG13 VAL A 87 13.475 -17.662 11.625 1.00 5.13 H new ATOM 0 HG21 VAL A 87 10.539 -16.712 11.634 1.00 44.11 H new ATOM 0 HG22 VAL A 87 11.893 -15.726 12.236 1.00 44.11 H new ATOM 0 HG23 VAL A 87 10.815 -15.083 10.974 1.00 44.11 H new ATOM 1281 N PHE A 88 15.457 -16.454 9.279 1.00 32.33 N ATOM 1282 CA PHE A 88 16.447 -17.072 8.406 1.00 64.24 C ATOM 1283 C PHE A 88 16.817 -18.467 8.903 1.00 54.22 C ATOM 1284 O PHE A 88 16.638 -18.786 10.078 1.00 3.23 O ATOM 1285 CB PHE A 88 17.701 -16.199 8.324 1.00 64.25 C ATOM 1286 CG PHE A 88 17.474 -14.886 7.630 1.00 35.51 C ATOM 1287 CD1 PHE A 88 16.723 -14.823 6.467 1.00 22.31 C ATOM 1288 CD2 PHE A 88 18.010 -13.716 8.141 1.00 3.32 C ATOM 1289 CE1 PHE A 88 16.511 -13.617 5.827 1.00 43.23 C ATOM 1290 CE2 PHE A 88 17.801 -12.506 7.505 1.00 24.55 C ATOM 1291 CZ PHE A 88 17.052 -12.457 6.346 1.00 21.12 C ATOM 0 H PHE A 88 15.797 -16.240 10.217 1.00 32.33 H new ATOM 0 HA PHE A 88 16.010 -17.164 7.412 1.00 64.24 H new ATOM 0 HB2 PHE A 88 18.068 -16.009 9.333 1.00 64.25 H new ATOM 0 HB3 PHE A 88 18.482 -16.748 7.799 1.00 64.25 H new ATOM 0 HD1 PHE A 88 16.299 -15.727 6.056 1.00 22.31 H new ATOM 0 HD2 PHE A 88 18.598 -13.749 9.046 1.00 3.32 H new ATOM 0 HE1 PHE A 88 15.923 -13.581 4.922 1.00 43.23 H new ATOM 0 HE2 PHE A 88 18.223 -11.600 7.914 1.00 24.55 H new ATOM 0 HZ PHE A 88 16.890 -11.513 5.846 1.00 21.12 H new ATOM 1301 N SER A 89 17.332 -19.294 7.999 1.00 54.24 N ATOM 1302 CA SER A 89 17.722 -20.656 8.343 1.00 0.21 C ATOM 1303 C SER A 89 19.064 -21.012 7.711 1.00 21.51 C ATOM 1304 O SER A 89 19.394 -20.544 6.622 1.00 53.54 O ATOM 1305 CB SER A 89 16.651 -21.647 7.886 1.00 75.35 C ATOM 1306 OG SER A 89 15.705 -21.887 8.914 1.00 64.33 O ATOM 0 H SER A 89 17.489 -19.044 7.023 1.00 54.24 H new ATOM 0 HA SER A 89 17.823 -20.716 9.427 1.00 0.21 H new ATOM 0 HB2 SER A 89 16.143 -21.257 7.004 1.00 75.35 H new ATOM 0 HB3 SER A 89 17.121 -22.586 7.594 1.00 75.35 H new ATOM 0 HG SER A 89 16.173 -22.028 9.763 1.00 64.33 H new ATOM 1312 N ARG A 90 19.834 -21.845 8.403 1.00 22.55 N ATOM 1313 CA ARG A 90 21.141 -22.265 7.912 1.00 41.22 C ATOM 1314 C ARG A 90 21.329 -23.770 8.082 1.00 52.52 C ATOM 1315 O ARG A 90 21.877 -24.227 9.085 1.00 73.53 O ATOM 1316 CB ARG A 90 22.252 -21.515 8.650 1.00 52.04 C ATOM 1317 CG ARG A 90 22.836 -20.357 7.857 1.00 72.23 C ATOM 1318 CD ARG A 90 24.356 -20.361 7.903 1.00 12.20 C ATOM 1319 NE ARG A 90 24.931 -21.270 6.916 1.00 23.51 N ATOM 1320 CZ ARG A 90 26.200 -21.663 6.931 1.00 61.34 C ATOM 1321 NH1 ARG A 90 27.021 -21.229 7.876 1.00 3.35 N ATOM 1322 NH2 ARG A 90 26.650 -22.493 5.998 1.00 72.21 N ATOM 0 H ARG A 90 19.575 -22.243 9.306 1.00 22.55 H new ATOM 0 HA ARG A 90 21.195 -22.028 6.850 1.00 41.22 H new ATOM 0 HB2 ARG A 90 21.859 -21.136 9.593 1.00 52.04 H new ATOM 0 HB3 ARG A 90 23.050 -22.215 8.896 1.00 52.04 H new ATOM 0 HG2 ARG A 90 22.502 -20.419 6.821 1.00 72.23 H new ATOM 0 HG3 ARG A 90 22.461 -19.415 8.257 1.00 72.23 H new ATOM 0 HD2 ARG A 90 24.727 -19.351 7.725 1.00 12.20 H new ATOM 0 HD3 ARG A 90 24.688 -20.651 8.900 1.00 12.20 H new ATOM 0 HE ARG A 90 24.326 -21.623 6.175 1.00 23.51 H new ATOM 0 HH11 ARG A 90 26.679 -20.591 8.595 1.00 3.35 H new ATOM 0 HH12 ARG A 90 27.995 -21.533 7.885 1.00 3.35 H new ATOM 0 HH21 ARG A 90 26.021 -22.830 5.269 1.00 72.21 H new ATOM 0 HH22 ARG A 90 27.624 -22.794 6.010 1.00 72.21 H new ATOM 1336 N ASP A 91 20.870 -24.533 7.096 1.00 41.40 N ATOM 1337 CA ASP A 91 20.988 -25.986 7.136 1.00 54.33 C ATOM 1338 C ASP A 91 20.218 -26.561 8.321 1.00 51.14 C ATOM 1339 O ASP A 91 20.670 -27.503 8.969 1.00 25.14 O ATOM 1340 CB ASP A 91 22.458 -26.398 7.218 1.00 2.45 C ATOM 1341 CG ASP A 91 23.366 -25.461 6.446 1.00 2.23 C ATOM 1342 OD1 ASP A 91 23.961 -24.559 7.074 1.00 72.12 O ATOM 1343 OD2 ASP A 91 23.483 -25.630 5.215 1.00 40.33 O ATOM 0 H ASP A 91 20.413 -24.170 6.260 1.00 41.40 H new ATOM 0 HA ASP A 91 20.558 -26.386 6.218 1.00 54.33 H new ATOM 0 HB2 ASP A 91 22.768 -26.421 8.263 1.00 2.45 H new ATOM 0 HB3 ASP A 91 22.571 -27.410 6.830 1.00 2.45 H new ATOM 1348 N GLY A 92 19.051 -25.986 8.598 1.00 44.13 N ATOM 1349 CA GLY A 92 18.238 -26.454 9.705 1.00 42.22 C ATOM 1350 C GLY A 92 18.351 -25.562 10.925 1.00 44.50 C ATOM 1351 O GLY A 92 17.597 -25.713 11.886 1.00 40.20 O ATOM 0 H GLY A 92 18.655 -25.205 8.075 1.00 44.13 H new ATOM 0 HA2 GLY A 92 17.196 -26.504 9.391 1.00 42.22 H new ATOM 0 HA3 GLY A 92 18.540 -27.467 9.970 1.00 42.22 H new ATOM 1355 N VAL A 93 19.298 -24.629 10.889 1.00 40.04 N ATOM 1356 CA VAL A 93 19.508 -23.709 12.000 1.00 21.11 C ATOM 1357 C VAL A 93 18.360 -22.712 12.113 1.00 63.12 C ATOM 1358 O VAL A 93 17.815 -22.260 11.106 1.00 41.01 O ATOM 1359 CB VAL A 93 20.832 -22.936 11.847 1.00 74.34 C ATOM 1360 CG1 VAL A 93 20.940 -21.847 12.903 1.00 71.30 C ATOM 1361 CG2 VAL A 93 22.016 -23.888 11.926 1.00 11.44 C ATOM 0 H VAL A 93 19.932 -24.491 10.102 1.00 40.04 H new ATOM 0 HA VAL A 93 19.551 -24.313 12.906 1.00 21.11 H new ATOM 0 HB VAL A 93 20.844 -22.459 10.867 1.00 74.34 H new ATOM 0 HG11 VAL A 93 21.882 -21.312 12.779 1.00 71.30 H new ATOM 0 HG12 VAL A 93 20.109 -21.150 12.793 1.00 71.30 H new ATOM 0 HG13 VAL A 93 20.907 -22.298 13.895 1.00 71.30 H new ATOM 0 HG21 VAL A 93 22.943 -23.325 11.816 1.00 11.44 H new ATOM 0 HG22 VAL A 93 22.011 -24.395 12.891 1.00 11.44 H new ATOM 0 HG23 VAL A 93 21.943 -24.627 11.128 1.00 11.44 H new ATOM 1371 N VAL A 94 17.998 -22.372 13.346 1.00 73.42 N ATOM 1372 CA VAL A 94 16.915 -21.427 13.591 1.00 21.01 C ATOM 1373 C VAL A 94 17.447 -20.122 14.172 1.00 53.51 C ATOM 1374 O VAL A 94 18.013 -20.102 15.264 1.00 5.30 O ATOM 1375 CB VAL A 94 15.865 -22.014 14.553 1.00 52.22 C ATOM 1376 CG1 VAL A 94 14.676 -21.074 14.683 1.00 74.33 C ATOM 1377 CG2 VAL A 94 15.419 -23.389 14.079 1.00 30.13 C ATOM 0 H VAL A 94 18.439 -22.737 14.190 1.00 73.42 H new ATOM 0 HA VAL A 94 16.444 -21.228 12.628 1.00 21.01 H new ATOM 0 HB VAL A 94 16.320 -22.124 15.537 1.00 52.22 H new ATOM 0 HG11 VAL A 94 13.944 -21.505 15.366 1.00 74.33 H new ATOM 0 HG12 VAL A 94 15.013 -20.113 15.071 1.00 74.33 H new ATOM 0 HG13 VAL A 94 14.218 -20.930 13.705 1.00 74.33 H new ATOM 0 HG21 VAL A 94 14.677 -23.789 14.770 1.00 30.13 H new ATOM 0 HG22 VAL A 94 14.981 -23.307 13.084 1.00 30.13 H new ATOM 0 HG23 VAL A 94 16.279 -24.058 14.042 1.00 30.13 H new ATOM 1387 N MET A 95 17.259 -19.032 13.434 1.00 62.31 N ATOM 1388 CA MET A 95 17.719 -17.721 13.877 1.00 74.11 C ATOM 1389 C MET A 95 16.714 -16.637 13.500 1.00 32.02 C ATOM 1390 O MET A 95 15.833 -16.856 12.669 1.00 73.10 O ATOM 1391 CB MET A 95 19.084 -17.402 13.265 1.00 1.11 C ATOM 1392 CG MET A 95 20.064 -18.562 13.328 1.00 62.13 C ATOM 1393 SD MET A 95 21.776 -18.018 13.489 1.00 54.31 S ATOM 1394 CE MET A 95 22.112 -17.461 11.820 1.00 3.12 C ATOM 0 H MET A 95 16.792 -19.031 12.527 1.00 62.31 H new ATOM 0 HA MET A 95 17.812 -17.744 14.963 1.00 74.11 H new ATOM 0 HB2 MET A 95 18.947 -17.109 12.224 1.00 1.11 H new ATOM 0 HB3 MET A 95 19.514 -16.545 13.783 1.00 1.11 H new ATOM 0 HG2 MET A 95 19.809 -19.202 14.173 1.00 62.13 H new ATOM 0 HG3 MET A 95 19.963 -19.167 12.427 1.00 62.13 H new ATOM 0 HE1 MET A 95 23.136 -17.094 11.758 1.00 3.12 H new ATOM 0 HE2 MET A 95 21.982 -18.292 11.126 1.00 3.12 H new ATOM 0 HE3 MET A 95 21.422 -16.658 11.559 1.00 3.12 H new ATOM 1404 N SER A 96 16.852 -15.468 14.117 1.00 0.13 N ATOM 1405 CA SER A 96 15.953 -14.351 13.849 1.00 24.23 C ATOM 1406 C SER A 96 16.719 -13.032 13.822 1.00 3.02 C ATOM 1407 O SER A 96 17.489 -12.730 14.734 1.00 51.34 O ATOM 1408 CB SER A 96 14.850 -14.292 14.907 1.00 0.35 C ATOM 1409 OG SER A 96 15.394 -14.090 16.200 1.00 13.24 O ATOM 0 H SER A 96 17.578 -15.269 14.806 1.00 0.13 H new ATOM 0 HA SER A 96 15.500 -14.508 12.870 1.00 24.23 H new ATOM 0 HB2 SER A 96 14.157 -13.484 14.670 1.00 0.35 H new ATOM 0 HB3 SER A 96 14.276 -15.219 14.891 1.00 0.35 H new ATOM 0 HG SER A 96 16.266 -13.649 16.123 1.00 13.24 H new ATOM 1415 N ALA A 97 16.502 -12.250 12.770 1.00 71.45 N ATOM 1416 CA ALA A 97 17.169 -10.963 12.623 1.00 2.23 C ATOM 1417 C ALA A 97 16.231 -9.924 12.018 1.00 64.14 C ATOM 1418 O ALA A 97 15.442 -10.231 11.124 1.00 52.24 O ATOM 1419 CB ALA A 97 18.419 -11.110 11.768 1.00 23.34 C ATOM 0 H ALA A 97 15.869 -12.486 12.006 1.00 71.45 H new ATOM 0 HA ALA A 97 17.460 -10.618 13.615 1.00 2.23 H new ATOM 0 HB1 ALA A 97 18.907 -10.140 11.667 1.00 23.34 H new ATOM 0 HB2 ALA A 97 19.104 -11.813 12.242 1.00 23.34 H new ATOM 0 HB3 ALA A 97 18.143 -11.482 10.781 1.00 23.34 H new ATOM 1425 N THR A 98 16.322 -8.693 12.510 1.00 2.43 N ATOM 1426 CA THR A 98 15.481 -7.609 12.019 1.00 14.11 C ATOM 1427 C THR A 98 16.066 -6.987 10.756 1.00 21.24 C ATOM 1428 O THR A 98 17.239 -6.615 10.723 1.00 4.23 O ATOM 1429 CB THR A 98 15.302 -6.510 13.083 1.00 11.24 C ATOM 1430 OG1 THR A 98 14.958 -7.099 14.343 1.00 41.54 O ATOM 1431 CG2 THR A 98 14.221 -5.524 12.667 1.00 51.12 C ATOM 0 H THR A 98 16.971 -8.422 13.249 1.00 2.43 H new ATOM 0 HA THR A 98 14.508 -8.044 11.789 1.00 14.11 H new ATOM 0 HB THR A 98 16.245 -5.972 13.179 1.00 11.24 H new ATOM 0 HG1 THR A 98 14.848 -6.394 15.015 1.00 41.54 H new ATOM 0 HG21 THR A 98 14.113 -4.757 13.434 1.00 51.12 H new ATOM 0 HG22 THR A 98 14.499 -5.056 11.723 1.00 51.12 H new ATOM 0 HG23 THR A 98 13.275 -6.051 12.545 1.00 51.12 H new ATOM 1439 N ILE A 99 15.242 -6.877 9.720 1.00 62.32 N ATOM 1440 CA ILE A 99 15.679 -6.299 8.455 1.00 0.44 C ATOM 1441 C ILE A 99 15.025 -4.942 8.217 1.00 73.05 C ATOM 1442 O ILE A 99 13.802 -4.812 8.270 1.00 33.43 O ATOM 1443 CB ILE A 99 15.356 -7.227 7.270 1.00 65.31 C ATOM 1444 CG1 ILE A 99 13.916 -7.733 7.367 1.00 33.13 C ATOM 1445 CG2 ILE A 99 16.332 -8.394 7.231 1.00 72.33 C ATOM 1446 CD1 ILE A 99 13.458 -8.493 6.142 1.00 11.10 C ATOM 0 H ILE A 99 14.268 -7.180 9.731 1.00 62.32 H new ATOM 0 HA ILE A 99 16.760 -6.173 8.522 1.00 0.44 H new ATOM 0 HB ILE A 99 15.460 -6.660 6.345 1.00 65.31 H new ATOM 0 HG12 ILE A 99 13.825 -8.379 8.240 1.00 33.13 H new ATOM 0 HG13 ILE A 99 13.251 -6.884 7.527 1.00 33.13 H new ATOM 0 HG21 ILE A 99 16.091 -9.042 6.388 1.00 72.33 H new ATOM 0 HG22 ILE A 99 17.348 -8.015 7.119 1.00 72.33 H new ATOM 0 HG23 ILE A 99 16.257 -8.962 8.158 1.00 72.33 H new ATOM 0 HD11 ILE A 99 12.428 -8.821 6.282 1.00 11.10 H new ATOM 0 HD12 ILE A 99 13.517 -7.844 5.268 1.00 11.10 H new ATOM 0 HD13 ILE A 99 14.099 -9.362 5.992 1.00 11.10 H new ATOM 1458 N VAL A 100 15.848 -3.933 7.951 1.00 51.34 N ATOM 1459 CA VAL A 100 15.350 -2.586 7.700 1.00 13.51 C ATOM 1460 C VAL A 100 15.587 -2.172 6.252 1.00 70.30 C ATOM 1461 O VAL A 100 16.726 -1.971 5.831 1.00 2.21 O ATOM 1462 CB VAL A 100 16.018 -1.558 8.632 1.00 44.51 C ATOM 1463 CG1 VAL A 100 15.403 -1.617 10.022 1.00 51.53 C ATOM 1464 CG2 VAL A 100 17.520 -1.793 8.694 1.00 31.35 C ATOM 0 H VAL A 100 16.863 -4.023 7.904 1.00 51.34 H new ATOM 0 HA VAL A 100 14.278 -2.603 7.899 1.00 13.51 H new ATOM 0 HB VAL A 100 15.845 -0.561 8.227 1.00 44.51 H new ATOM 0 HG11 VAL A 100 15.888 -0.883 10.666 1.00 51.53 H new ATOM 0 HG12 VAL A 100 14.338 -1.396 9.958 1.00 51.53 H new ATOM 0 HG13 VAL A 100 15.542 -2.614 10.439 1.00 51.53 H new ATOM 0 HG21 VAL A 100 17.976 -1.058 9.357 1.00 31.35 H new ATOM 0 HG22 VAL A 100 17.716 -2.796 9.074 1.00 31.35 H new ATOM 0 HG23 VAL A 100 17.945 -1.694 7.695 1.00 31.35 H new ATOM 1474 N VAL A 101 14.503 -2.047 5.493 1.00 70.12 N ATOM 1475 CA VAL A 101 14.592 -1.656 4.091 1.00 3.01 C ATOM 1476 C VAL A 101 14.182 -0.200 3.899 1.00 34.44 C ATOM 1477 O VAL A 101 13.092 0.206 4.302 1.00 45.44 O ATOM 1478 CB VAL A 101 13.707 -2.549 3.202 1.00 61.14 C ATOM 1479 CG1 VAL A 101 13.854 -2.159 1.739 1.00 54.32 C ATOM 1480 CG2 VAL A 101 14.053 -4.016 3.408 1.00 45.11 C ATOM 0 H VAL A 101 13.553 -2.211 5.825 1.00 70.12 H new ATOM 0 HA VAL A 101 15.633 -1.779 3.794 1.00 3.01 H new ATOM 0 HB VAL A 101 12.666 -2.401 3.490 1.00 61.14 H new ATOM 0 HG11 VAL A 101 13.221 -2.801 1.126 1.00 54.32 H new ATOM 0 HG12 VAL A 101 13.552 -1.120 1.607 1.00 54.32 H new ATOM 0 HG13 VAL A 101 14.894 -2.276 1.434 1.00 54.32 H new ATOM 0 HG21 VAL A 101 13.418 -4.632 2.772 1.00 45.11 H new ATOM 0 HG22 VAL A 101 15.098 -4.183 3.148 1.00 45.11 H new ATOM 0 HG23 VAL A 101 13.891 -4.285 4.452 1.00 45.11 H new ATOM 1490 N GLY A 102 15.062 0.581 3.281 1.00 21.11 N ATOM 1491 CA GLY A 102 14.773 1.983 3.046 1.00 12.51 C ATOM 1492 C GLY A 102 14.452 2.274 1.593 1.00 31.14 C ATOM 1493 O GLY A 102 15.333 2.225 0.735 1.00 35.34 O ATOM 0 H GLY A 102 15.970 0.268 2.939 1.00 21.11 H new ATOM 0 HA2 GLY A 102 13.931 2.286 3.669 1.00 12.51 H new ATOM 0 HA3 GLY A 102 15.629 2.584 3.353 1.00 12.51 H new ATOM 1497 N GLU A 103 13.187 2.576 1.317 1.00 21.41 N ATOM 1498 CA GLU A 103 12.753 2.872 -0.043 1.00 12.20 C ATOM 1499 C GLU A 103 12.792 4.374 -0.311 1.00 72.13 C ATOM 1500 O GLU A 103 13.125 4.811 -1.414 1.00 33.31 O ATOM 1501 CB GLU A 103 11.339 2.338 -0.279 1.00 34.55 C ATOM 1502 CG GLU A 103 11.297 1.084 -1.136 1.00 31.20 C ATOM 1503 CD GLU A 103 11.238 -0.186 -0.310 1.00 32.32 C ATOM 1504 OE1 GLU A 103 11.440 -0.103 0.920 1.00 72.31 O ATOM 1505 OE2 GLU A 103 10.990 -1.263 -0.892 1.00 42.33 O ATOM 0 H GLU A 103 12.446 2.622 2.016 1.00 21.41 H new ATOM 0 HA GLU A 103 13.439 2.379 -0.731 1.00 12.20 H new ATOM 0 HB2 GLU A 103 10.875 2.125 0.684 1.00 34.55 H new ATOM 0 HB3 GLU A 103 10.741 3.114 -0.757 1.00 34.55 H new ATOM 0 HG2 GLU A 103 10.428 1.126 -1.793 1.00 31.20 H new ATOM 0 HG3 GLU A 103 12.179 1.056 -1.776 1.00 31.20 H new