USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HD1:sc= -2.22 K(o=-1,f=-7.1!) USER MOD Set 1.2: A 16 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 110:sc= 0.0165 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.017) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -0.678 (180deg=-2.11!) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc=-0.00637 (180deg=-0.11) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc=0.000482 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0378 K(o=-0.038,f=-1.5!) USER MOD Single : A 53 ASN : amide:sc= -0.0545 K(o=-0.054,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= -0.0573 (180deg=-0.377) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00277 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.882 -8.984 23.918 1.00 0.00 N ATOM 2 CA GLY A 1 2.357 -9.443 22.625 1.00 0.00 C ATOM 3 C GLY A 1 2.986 -8.330 21.810 1.00 0.00 C ATOM 4 O GLY A 1 2.363 -7.294 21.576 1.00 0.00 O ATOM 0 H1 GLY A 1 1.461 -9.781 24.436 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.679 -8.599 24.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.165 -8.243 23.781 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.087 -10.239 22.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.525 -9.872 22.067 1.00 0.00 H new ATOM 8 N SER A 2 4.225 -8.543 21.378 1.00 0.00 N ATOM 9 CA SER A 2 4.941 -7.548 20.589 1.00 0.00 C ATOM 10 C SER A 2 4.174 -7.211 19.314 1.00 0.00 C ATOM 11 O SER A 2 3.746 -8.102 18.580 1.00 0.00 O ATOM 12 CB SER A 2 6.340 -8.056 20.237 1.00 0.00 C ATOM 13 OG SER A 2 7.219 -7.936 21.342 1.00 0.00 O ATOM 0 H SER A 2 4.754 -9.396 21.561 1.00 0.00 H new ATOM 0 HA SER A 2 5.031 -6.642 21.188 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.284 -9.099 19.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.734 -7.491 19.392 1.00 0.00 H new ATOM 0 HG SER A 2 8.106 -8.269 21.092 1.00 0.00 H new ATOM 19 N SER A 3 4.005 -5.918 19.057 1.00 0.00 N ATOM 20 CA SER A 3 3.287 -5.461 17.873 1.00 0.00 C ATOM 21 C SER A 3 3.713 -6.253 16.640 1.00 0.00 C ATOM 22 O SER A 3 2.876 -6.765 15.898 1.00 0.00 O ATOM 23 CB SER A 3 3.533 -3.969 17.644 1.00 0.00 C ATOM 24 OG SER A 3 2.629 -3.181 18.399 1.00 0.00 O ATOM 0 H SER A 3 4.356 -5.168 19.653 1.00 0.00 H new ATOM 0 HA SER A 3 2.222 -5.625 18.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.557 -3.719 17.921 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.424 -3.738 16.584 1.00 0.00 H new ATOM 0 HG SER A 3 2.808 -2.231 18.236 1.00 0.00 H new ATOM 30 N GLY A 4 5.022 -6.349 16.429 1.00 0.00 N ATOM 31 CA GLY A 4 5.538 -7.079 15.286 1.00 0.00 C ATOM 32 C GLY A 4 6.106 -8.431 15.670 1.00 0.00 C ATOM 33 O GLY A 4 7.280 -8.710 15.427 1.00 0.00 O ATOM 0 H GLY A 4 5.735 -5.934 17.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.740 -7.218 14.557 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.314 -6.487 14.801 1.00 0.00 H new ATOM 37 N SER A 5 5.272 -9.272 16.273 1.00 0.00 N ATOM 38 CA SER A 5 5.699 -10.601 16.696 1.00 0.00 C ATOM 39 C SER A 5 5.602 -11.596 15.543 1.00 0.00 C ATOM 40 O SER A 5 6.551 -12.326 15.258 1.00 0.00 O ATOM 41 CB SER A 5 4.848 -11.082 17.873 1.00 0.00 C ATOM 42 OG SER A 5 5.360 -12.289 18.412 1.00 0.00 O ATOM 0 H SER A 5 4.297 -9.057 16.480 1.00 0.00 H new ATOM 0 HA SER A 5 6.740 -10.538 17.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.825 -10.315 18.647 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.820 -11.234 17.545 1.00 0.00 H new ATOM 0 HG SER A 5 4.800 -12.575 19.164 1.00 0.00 H new ATOM 48 N SER A 6 4.448 -11.618 14.884 1.00 0.00 N ATOM 49 CA SER A 6 4.225 -12.525 13.765 1.00 0.00 C ATOM 50 C SER A 6 5.122 -12.164 12.585 1.00 0.00 C ATOM 51 O SER A 6 5.916 -12.981 12.121 1.00 0.00 O ATOM 52 CB SER A 6 2.757 -12.485 13.334 1.00 0.00 C ATOM 53 OG SER A 6 1.973 -13.372 14.114 1.00 0.00 O ATOM 0 H SER A 6 3.653 -11.018 15.106 1.00 0.00 H new ATOM 0 HA SER A 6 4.474 -13.534 14.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.372 -11.470 13.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.676 -12.753 12.281 1.00 0.00 H new ATOM 0 HG SER A 6 1.039 -13.327 13.821 1.00 0.00 H new ATOM 59 N GLY A 7 4.989 -10.931 12.104 1.00 0.00 N ATOM 60 CA GLY A 7 5.793 -10.482 10.982 1.00 0.00 C ATOM 61 C GLY A 7 5.344 -9.136 10.449 1.00 0.00 C ATOM 62 O GLY A 7 6.147 -8.211 10.324 1.00 0.00 O ATOM 0 H GLY A 7 4.339 -10.236 12.471 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.837 -10.418 11.290 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.741 -11.221 10.183 1.00 0.00 H new ATOM 66 N PHE A 8 4.059 -9.026 10.132 1.00 0.00 N ATOM 67 CA PHE A 8 3.504 -7.784 9.606 1.00 0.00 C ATOM 68 C PHE A 8 2.003 -7.704 9.869 1.00 0.00 C ATOM 69 O PHE A 8 1.399 -8.652 10.373 1.00 0.00 O ATOM 70 CB PHE A 8 3.776 -7.675 8.104 1.00 0.00 C ATOM 71 CG PHE A 8 5.220 -7.424 7.773 1.00 0.00 C ATOM 72 CD1 PHE A 8 5.769 -6.161 7.921 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.028 -8.452 7.314 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.097 -5.926 7.618 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.356 -8.224 7.010 1.00 0.00 C ATOM 76 CZ PHE A 8 7.891 -6.959 7.161 1.00 0.00 C ATOM 0 H PHE A 8 3.381 -9.782 10.230 1.00 0.00 H new ATOM 0 HA PHE A 8 3.990 -6.953 10.118 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.455 -8.596 7.617 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.171 -6.868 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.152 -5.350 8.278 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.615 -9.442 7.193 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.513 -4.936 7.738 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.976 -9.034 6.655 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.929 -6.779 6.922 1.00 0.00 H new ATOM 86 N CYS A 9 1.409 -6.567 9.527 1.00 0.00 N ATOM 87 CA CYS A 9 -0.021 -6.361 9.727 1.00 0.00 C ATOM 88 C CYS A 9 -0.810 -6.791 8.494 1.00 0.00 C ATOM 89 O CYS A 9 -1.793 -7.524 8.598 1.00 0.00 O ATOM 90 CB CYS A 9 -0.307 -4.893 10.044 1.00 0.00 C ATOM 91 SG CYS A 9 -1.923 -4.602 10.800 1.00 0.00 S ATOM 0 H CYS A 9 1.895 -5.773 9.110 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.337 -6.975 10.570 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.468 -4.519 10.713 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.239 -4.314 9.123 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.071 -3.332 11.032 1.00 0.00 H new ATOM 97 N GLY A 10 -0.374 -6.327 7.327 1.00 0.00 N ATOM 98 CA GLY A 10 -1.052 -6.672 6.091 1.00 0.00 C ATOM 99 C GLY A 10 -0.243 -6.303 4.863 1.00 0.00 C ATOM 100 O GLY A 10 0.897 -5.852 4.976 1.00 0.00 O ATOM 0 H GLY A 10 0.437 -5.718 7.215 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.257 -7.743 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.015 -6.163 6.054 1.00 0.00 H new ATOM 104 N ARG A 11 -0.833 -6.495 3.688 1.00 0.00 N ATOM 105 CA ARG A 11 -0.158 -6.182 2.434 1.00 0.00 C ATOM 106 C ARG A 11 -1.078 -5.398 1.503 1.00 0.00 C ATOM 107 O ARG A 11 -2.298 -5.550 1.547 1.00 0.00 O ATOM 108 CB ARG A 11 0.307 -7.466 1.746 1.00 0.00 C ATOM 109 CG ARG A 11 1.562 -7.288 0.907 1.00 0.00 C ATOM 110 CD ARG A 11 1.977 -8.590 0.241 1.00 0.00 C ATOM 111 NE ARG A 11 3.423 -8.671 0.050 1.00 0.00 N ATOM 112 CZ ARG A 11 4.289 -8.811 1.047 1.00 0.00 C ATOM 113 NH1 ARG A 11 3.858 -8.886 2.298 1.00 0.00 N ATOM 114 NH2 ARG A 11 5.590 -8.877 0.793 1.00 0.00 N ATOM 0 H ARG A 11 -1.777 -6.866 3.578 1.00 0.00 H new ATOM 0 HA ARG A 11 0.711 -5.565 2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.492 -8.228 2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.496 -7.838 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.387 -6.528 0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.374 -6.926 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.644 -9.431 0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.478 -8.678 -0.724 1.00 0.00 H new ATOM 0 HE ARG A 11 3.787 -8.617 -0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.859 -8.836 2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.525 -8.994 3.062 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.925 -8.820 -0.169 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.254 -8.985 1.559 1.00 0.00 H new ATOM 128 N ALA A 12 -0.484 -4.558 0.662 1.00 0.00 N ATOM 129 CA ALA A 12 -1.249 -3.751 -0.280 1.00 0.00 C ATOM 130 C ALA A 12 -0.472 -3.533 -1.574 1.00 0.00 C ATOM 131 O ALA A 12 0.759 -3.500 -1.572 1.00 0.00 O ATOM 132 CB ALA A 12 -1.619 -2.415 0.348 1.00 0.00 C ATOM 0 H ALA A 12 0.525 -4.419 0.614 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.164 -4.291 -0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.190 -1.823 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.221 -2.587 1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.711 -1.877 0.621 1.00 0.00 H new ATOM 138 N ARG A 13 -1.198 -3.384 -2.677 1.00 0.00 N ATOM 139 CA ARG A 13 -0.576 -3.171 -3.978 1.00 0.00 C ATOM 140 C ARG A 13 -0.824 -1.749 -4.473 1.00 0.00 C ATOM 141 O ARG A 13 -1.910 -1.198 -4.292 1.00 0.00 O ATOM 142 CB ARG A 13 -1.115 -4.178 -4.996 1.00 0.00 C ATOM 143 CG ARG A 13 -0.565 -3.979 -6.399 1.00 0.00 C ATOM 144 CD ARG A 13 -1.103 -5.026 -7.362 1.00 0.00 C ATOM 145 NE ARG A 13 -2.540 -4.885 -7.577 1.00 0.00 N ATOM 146 CZ ARG A 13 -3.300 -5.833 -8.114 1.00 0.00 C ATOM 147 NH1 ARG A 13 -2.762 -6.986 -8.488 1.00 0.00 N ATOM 148 NH2 ARG A 13 -4.601 -5.630 -8.277 1.00 0.00 N ATOM 0 H ARG A 13 -2.218 -3.407 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 13 0.499 -3.317 -3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.874 -5.186 -4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.202 -4.104 -5.027 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.829 -2.984 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.524 -4.030 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.584 -4.941 -8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.891 -6.021 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.985 -4.010 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.762 -7.147 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.348 -7.712 -8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.019 -4.745 -7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.183 -6.359 -8.690 1.00 0.00 H new ATOM 162 N VAL A 14 0.191 -1.160 -5.098 1.00 0.00 N ATOM 163 CA VAL A 14 0.083 0.197 -5.619 1.00 0.00 C ATOM 164 C VAL A 14 -0.443 0.197 -7.050 1.00 0.00 C ATOM 165 O VAL A 14 0.245 -0.236 -7.976 1.00 0.00 O ATOM 166 CB VAL A 14 1.443 0.921 -5.584 1.00 0.00 C ATOM 167 CG1 VAL A 14 1.342 2.280 -6.260 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.933 1.064 -4.151 1.00 0.00 C ATOM 0 H VAL A 14 1.097 -1.602 -5.256 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.620 0.727 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 14 2.169 0.322 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.312 2.776 -6.226 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.039 2.148 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.603 2.891 -5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.895 1.577 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.210 1.641 -3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.046 0.076 -3.705 1.00 0.00 H new ATOM 178 N HIS A 15 -1.667 0.684 -7.225 1.00 0.00 N ATOM 179 CA HIS A 15 -2.286 0.741 -8.544 1.00 0.00 C ATOM 180 C HIS A 15 -2.187 2.146 -9.131 1.00 0.00 C ATOM 181 O HIS A 15 -2.207 2.325 -10.349 1.00 0.00 O ATOM 182 CB HIS A 15 -3.752 0.313 -8.462 1.00 0.00 C ATOM 183 CG HIS A 15 -4.539 1.065 -7.433 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.120 2.291 -7.679 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.841 0.757 -6.150 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.744 2.706 -6.591 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.590 1.793 -5.649 1.00 0.00 N ATOM 0 H HIS A 15 -2.250 1.045 -6.470 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.750 0.054 -9.199 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.218 0.453 -9.437 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.799 -0.752 -8.236 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.548 -0.137 -5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.287 3.634 -6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.967 1.849 -4.703 1.00 0.00 H new ATOM 195 N THR A 16 -2.080 3.141 -8.256 1.00 0.00 N ATOM 196 CA THR A 16 -1.979 4.530 -8.687 1.00 0.00 C ATOM 197 C THR A 16 -0.695 5.173 -8.175 1.00 0.00 C ATOM 198 O THR A 16 -0.554 5.432 -6.980 1.00 0.00 O ATOM 199 CB THR A 16 -3.184 5.358 -8.201 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.394 4.839 -8.765 1.00 0.00 O ATOM 201 CG2 THR A 16 -3.026 6.821 -8.586 1.00 0.00 C ATOM 0 H THR A 16 -2.061 3.011 -7.245 1.00 0.00 H new ATOM 0 HA THR A 16 -1.968 4.523 -9.777 1.00 0.00 H new ATOM 0 HB THR A 16 -3.231 5.288 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.545 3.929 -8.434 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.889 7.386 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.120 7.221 -8.132 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.956 6.906 -9.670 1.00 0.00 H new ATOM 209 N ASP A 17 0.237 5.428 -9.086 1.00 0.00 N ATOM 210 CA ASP A 17 1.509 6.043 -8.727 1.00 0.00 C ATOM 211 C ASP A 17 1.294 7.438 -8.148 1.00 0.00 C ATOM 212 O ASP A 17 0.436 8.189 -8.613 1.00 0.00 O ATOM 213 CB ASP A 17 2.427 6.120 -9.948 1.00 0.00 C ATOM 214 CG ASP A 17 1.724 6.691 -11.164 1.00 0.00 C ATOM 215 OD1 ASP A 17 0.856 7.570 -10.989 1.00 0.00 O ATOM 216 OD2 ASP A 17 2.043 6.258 -12.292 1.00 0.00 O ATOM 0 H ASP A 17 0.135 5.218 -10.079 1.00 0.00 H new ATOM 0 HA ASP A 17 1.982 5.422 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.293 6.737 -9.710 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.800 5.123 -10.182 1.00 0.00 H new ATOM 221 N PHE A 18 2.078 7.779 -7.130 1.00 0.00 N ATOM 222 CA PHE A 18 1.972 9.083 -6.487 1.00 0.00 C ATOM 223 C PHE A 18 3.342 9.575 -6.027 1.00 0.00 C ATOM 224 O PHE A 18 4.049 8.884 -5.293 1.00 0.00 O ATOM 225 CB PHE A 18 1.017 9.010 -5.293 1.00 0.00 C ATOM 226 CG PHE A 18 1.248 10.089 -4.274 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.258 9.968 -3.334 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.455 11.225 -4.258 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.472 10.959 -2.395 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.664 12.220 -3.321 1.00 0.00 C ATOM 231 CZ PHE A 18 1.675 12.087 -2.389 1.00 0.00 C ATOM 0 H PHE A 18 2.793 7.170 -6.733 1.00 0.00 H new ATOM 0 HA PHE A 18 1.577 9.790 -7.217 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.009 9.076 -5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.123 8.038 -4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.886 9.089 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.335 11.335 -4.986 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.262 10.852 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.038 13.100 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.842 12.864 -1.657 1.00 0.00 H new ATOM 241 N THR A 19 3.710 10.775 -6.465 1.00 0.00 N ATOM 242 CA THR A 19 4.994 11.361 -6.102 1.00 0.00 C ATOM 243 C THR A 19 4.807 12.606 -5.243 1.00 0.00 C ATOM 244 O THR A 19 4.447 13.677 -5.731 1.00 0.00 O ATOM 245 CB THR A 19 5.817 11.730 -7.351 1.00 0.00 C ATOM 246 OG1 THR A 19 5.927 10.596 -8.218 1.00 0.00 O ATOM 247 CG2 THR A 19 7.205 12.213 -6.960 1.00 0.00 C ATOM 0 H THR A 19 3.136 11.360 -7.072 1.00 0.00 H new ATOM 0 HA THR A 19 5.535 10.607 -5.530 1.00 0.00 H new ATOM 0 HB THR A 19 5.303 12.537 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.450 10.839 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.768 12.468 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.118 13.094 -6.324 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.725 11.424 -6.417 1.00 0.00 H new ATOM 255 N PRO A 20 5.058 12.466 -3.933 1.00 0.00 N ATOM 256 CA PRO A 20 4.925 13.571 -2.979 1.00 0.00 C ATOM 257 C PRO A 20 6.000 14.635 -3.171 1.00 0.00 C ATOM 258 O PRO A 20 6.807 14.556 -4.098 1.00 0.00 O ATOM 259 CB PRO A 20 5.087 12.887 -1.619 1.00 0.00 C ATOM 260 CG PRO A 20 5.890 11.665 -1.903 1.00 0.00 C ATOM 261 CD PRO A 20 5.492 11.218 -3.282 1.00 0.00 C ATOM 0 HA PRO A 20 3.979 14.099 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.594 13.537 -0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.120 12.633 -1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.958 11.880 -1.856 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.689 10.886 -1.167 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.326 10.758 -3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 20 4.689 10.481 -3.250 1.00 0.00 H new ATOM 269 N SER A 21 6.006 15.630 -2.289 1.00 0.00 N ATOM 270 CA SER A 21 6.981 16.712 -2.364 1.00 0.00 C ATOM 271 C SER A 21 8.384 16.201 -2.051 1.00 0.00 C ATOM 272 O SER A 21 8.573 15.258 -1.283 1.00 0.00 O ATOM 273 CB SER A 21 6.605 17.832 -1.392 1.00 0.00 C ATOM 274 OG SER A 21 5.431 18.502 -1.816 1.00 0.00 O ATOM 0 H SER A 21 5.347 15.709 -1.515 1.00 0.00 H new ATOM 0 HA SER A 21 6.975 17.105 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.451 17.417 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.427 18.544 -1.317 1.00 0.00 H new ATOM 0 HG SER A 21 5.211 19.212 -1.177 1.00 0.00 H new ATOM 280 N PRO A 22 9.394 16.839 -2.661 1.00 0.00 N ATOM 281 CA PRO A 22 10.799 16.469 -2.464 1.00 0.00 C ATOM 282 C PRO A 22 11.298 16.811 -1.065 1.00 0.00 C ATOM 283 O PRO A 22 12.385 16.395 -0.664 1.00 0.00 O ATOM 284 CB PRO A 22 11.537 17.303 -3.514 1.00 0.00 C ATOM 285 CG PRO A 22 10.650 18.476 -3.757 1.00 0.00 C ATOM 286 CD PRO A 22 9.243 17.973 -3.589 1.00 0.00 C ATOM 0 HA PRO A 22 10.955 15.395 -2.566 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.517 17.616 -3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.700 16.734 -4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.864 19.280 -3.052 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.803 18.880 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.588 18.742 -3.180 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.812 17.659 -4.540 1.00 0.00 H new ATOM 294 N TYR A 23 10.497 17.571 -0.326 1.00 0.00 N ATOM 295 CA TYR A 23 10.859 17.971 1.029 1.00 0.00 C ATOM 296 C TYR A 23 10.244 17.027 2.058 1.00 0.00 C ATOM 297 O TYR A 23 10.894 16.641 3.030 1.00 0.00 O ATOM 298 CB TYR A 23 10.403 19.405 1.299 1.00 0.00 C ATOM 299 CG TYR A 23 10.815 20.385 0.223 1.00 0.00 C ATOM 300 CD1 TYR A 23 12.138 20.790 0.096 1.00 0.00 C ATOM 301 CD2 TYR A 23 9.882 20.905 -0.665 1.00 0.00 C ATOM 302 CE1 TYR A 23 12.519 21.685 -0.885 1.00 0.00 C ATOM 303 CE2 TYR A 23 10.255 21.799 -1.650 1.00 0.00 C ATOM 304 CZ TYR A 23 11.574 22.186 -1.755 1.00 0.00 C ATOM 305 OH TYR A 23 11.949 23.078 -2.734 1.00 0.00 O ATOM 0 H TYR A 23 9.593 17.922 -0.642 1.00 0.00 H new ATOM 0 HA TYR A 23 11.944 17.920 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.317 19.420 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.813 19.734 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.881 20.399 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.848 20.605 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 23 13.551 21.991 -0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.517 22.192 -2.334 1.00 0.00 H new ATOM 0 HH TYR A 23 11.164 23.333 -3.262 1.00 0.00 H new ATOM 315 N ASP A 24 8.987 16.659 1.837 1.00 0.00 N ATOM 316 CA ASP A 24 8.282 15.759 2.742 1.00 0.00 C ATOM 317 C ASP A 24 8.913 14.370 2.728 1.00 0.00 C ATOM 318 O ASP A 24 8.850 13.658 1.725 1.00 0.00 O ATOM 319 CB ASP A 24 6.805 15.667 2.357 1.00 0.00 C ATOM 320 CG ASP A 24 5.960 15.038 3.447 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.520 14.282 4.269 1.00 0.00 O ATOM 322 OD2 ASP A 24 4.740 15.301 3.479 1.00 0.00 O ATOM 0 H ASP A 24 8.435 16.970 1.038 1.00 0.00 H new ATOM 0 HA ASP A 24 8.361 16.163 3.751 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.427 16.666 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.707 15.082 1.442 1.00 0.00 H new ATOM 327 N THR A 25 9.522 13.991 3.847 1.00 0.00 N ATOM 328 CA THR A 25 10.166 12.688 3.963 1.00 0.00 C ATOM 329 C THR A 25 9.186 11.633 4.463 1.00 0.00 C ATOM 330 O THR A 25 9.149 10.514 3.951 1.00 0.00 O ATOM 331 CB THR A 25 11.376 12.742 4.914 1.00 0.00 C ATOM 332 OG1 THR A 25 12.530 13.217 4.213 1.00 0.00 O ATOM 333 CG2 THR A 25 11.662 11.370 5.504 1.00 0.00 C ATOM 0 H THR A 25 9.583 14.568 4.686 1.00 0.00 H new ATOM 0 HA THR A 25 10.510 12.415 2.965 1.00 0.00 H new ATOM 0 HB THR A 25 11.140 13.427 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.294 13.250 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.521 11.433 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 25 10.792 11.026 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.879 10.666 4.700 1.00 0.00 H new ATOM 341 N ASP A 26 8.395 11.996 5.467 1.00 0.00 N ATOM 342 CA ASP A 26 7.413 11.080 6.036 1.00 0.00 C ATOM 343 C ASP A 26 6.687 10.311 4.937 1.00 0.00 C ATOM 344 O ASP A 26 6.774 9.085 4.862 1.00 0.00 O ATOM 345 CB ASP A 26 6.404 11.848 6.891 1.00 0.00 C ATOM 346 CG ASP A 26 5.721 10.962 7.915 1.00 0.00 C ATOM 347 OD1 ASP A 26 6.340 9.968 8.346 1.00 0.00 O ATOM 348 OD2 ASP A 26 4.566 11.263 8.283 1.00 0.00 O ATOM 0 H ASP A 26 8.415 12.918 5.903 1.00 0.00 H new ATOM 0 HA ASP A 26 7.941 10.365 6.666 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.913 12.665 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.651 12.298 6.244 1.00 0.00 H new ATOM 353 N SER A 27 5.969 11.039 4.087 1.00 0.00 N ATOM 354 CA SER A 27 5.223 10.425 2.995 1.00 0.00 C ATOM 355 C SER A 27 6.142 9.582 2.116 1.00 0.00 C ATOM 356 O SER A 27 7.140 10.076 1.589 1.00 0.00 O ATOM 357 CB SER A 27 4.535 11.500 2.151 1.00 0.00 C ATOM 358 OG SER A 27 3.604 12.237 2.924 1.00 0.00 O ATOM 0 H SER A 27 5.888 12.055 4.134 1.00 0.00 H new ATOM 0 HA SER A 27 4.464 9.773 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.283 12.175 1.736 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.024 11.034 1.308 1.00 0.00 H new ATOM 0 HG SER A 27 3.945 13.144 3.069 1.00 0.00 H new ATOM 364 N LEU A 28 5.798 8.308 1.962 1.00 0.00 N ATOM 365 CA LEU A 28 6.591 7.395 1.147 1.00 0.00 C ATOM 366 C LEU A 28 6.215 7.514 -0.327 1.00 0.00 C ATOM 367 O LEU A 28 5.121 7.966 -0.665 1.00 0.00 O ATOM 368 CB LEU A 28 6.393 5.954 1.620 1.00 0.00 C ATOM 369 CG LEU A 28 6.706 5.682 3.092 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.286 4.272 3.475 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.187 5.894 3.371 1.00 0.00 C ATOM 0 H LEU A 28 4.975 7.884 2.391 1.00 0.00 H new ATOM 0 HA LEU A 28 7.641 7.667 1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.358 5.670 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.019 5.303 1.010 1.00 0.00 H new ATOM 0 HG LEU A 28 6.138 6.386 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.516 4.096 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.214 4.155 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.826 3.552 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.391 5.696 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.774 5.215 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.458 6.923 3.136 1.00 0.00 H new ATOM 383 N LYS A 29 7.129 7.104 -1.200 1.00 0.00 N ATOM 384 CA LYS A 29 6.893 7.161 -2.638 1.00 0.00 C ATOM 385 C LYS A 29 6.105 5.943 -3.109 1.00 0.00 C ATOM 386 O LYS A 29 6.470 4.804 -2.815 1.00 0.00 O ATOM 387 CB LYS A 29 8.223 7.244 -3.391 1.00 0.00 C ATOM 388 CG LYS A 29 8.130 7.993 -4.709 1.00 0.00 C ATOM 389 CD LYS A 29 9.489 8.111 -5.380 1.00 0.00 C ATOM 390 CE LYS A 29 10.355 9.162 -4.702 1.00 0.00 C ATOM 391 NZ LYS A 29 9.979 10.542 -5.115 1.00 0.00 N ATOM 0 H LYS A 29 8.040 6.729 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 29 6.306 8.055 -2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.961 7.734 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.587 6.234 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.438 7.476 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.721 8.988 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.996 7.146 -5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.356 8.370 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.260 9.068 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.402 8.982 -4.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.625 11.225 -4.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.045 10.625 -6.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.004 10.741 -4.814 1.00 0.00 H new ATOM 405 N LEU A 30 5.025 6.190 -3.841 1.00 0.00 N ATOM 406 CA LEU A 30 4.186 5.113 -4.355 1.00 0.00 C ATOM 407 C LEU A 30 4.303 5.008 -5.872 1.00 0.00 C ATOM 408 O LEU A 30 4.151 5.998 -6.587 1.00 0.00 O ATOM 409 CB LEU A 30 2.727 5.343 -3.959 1.00 0.00 C ATOM 410 CG LEU A 30 2.473 5.663 -2.485 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.011 6.013 -2.258 1.00 0.00 C ATOM 412 CD2 LEU A 30 2.885 4.490 -1.607 1.00 0.00 C ATOM 0 H LEU A 30 4.709 7.127 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 30 4.531 4.176 -3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.333 6.162 -4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.156 4.452 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 30 3.078 6.527 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.850 6.237 -1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.748 6.884 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.385 5.169 -2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.698 4.735 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.306 3.608 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.946 4.286 -1.747 1.00 0.00 H new ATOM 424 N LYS A 31 4.571 3.800 -6.357 1.00 0.00 N ATOM 425 CA LYS A 31 4.705 3.563 -7.790 1.00 0.00 C ATOM 426 C LYS A 31 3.852 2.376 -8.227 1.00 0.00 C ATOM 427 O LYS A 31 3.692 1.407 -7.485 1.00 0.00 O ATOM 428 CB LYS A 31 6.170 3.312 -8.152 1.00 0.00 C ATOM 429 CG LYS A 31 6.529 3.737 -9.565 1.00 0.00 C ATOM 430 CD LYS A 31 6.294 2.613 -10.561 1.00 0.00 C ATOM 431 CE LYS A 31 7.466 1.643 -10.593 1.00 0.00 C ATOM 432 NZ LYS A 31 7.340 0.587 -9.551 1.00 0.00 N ATOM 0 H LYS A 31 4.700 2.970 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 31 4.355 4.452 -8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.806 3.848 -7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.388 2.250 -8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.934 4.605 -9.847 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.575 4.043 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.383 2.076 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.140 3.033 -11.555 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.525 1.177 -11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.396 2.192 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.725 -0.308 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.869 0.872 -8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.337 0.458 -9.307 1.00 0.00 H new ATOM 446 N LYS A 32 3.308 2.458 -9.436 1.00 0.00 N ATOM 447 CA LYS A 32 2.473 1.390 -9.974 1.00 0.00 C ATOM 448 C LYS A 32 3.213 0.057 -9.949 1.00 0.00 C ATOM 449 O LYS A 32 4.139 -0.165 -10.729 1.00 0.00 O ATOM 450 CB LYS A 32 2.045 1.721 -11.405 1.00 0.00 C ATOM 451 CG LYS A 32 0.920 0.841 -11.923 1.00 0.00 C ATOM 452 CD LYS A 32 0.544 1.200 -13.351 1.00 0.00 C ATOM 453 CE LYS A 32 1.437 0.490 -14.357 1.00 0.00 C ATOM 454 NZ LYS A 32 1.110 -0.959 -14.463 1.00 0.00 N ATOM 0 H LYS A 32 3.430 3.253 -10.063 1.00 0.00 H new ATOM 0 HA LYS A 32 1.586 1.305 -9.347 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.729 2.763 -11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.907 1.621 -12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.224 -0.205 -11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.047 0.947 -11.278 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.497 0.931 -13.533 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.624 2.278 -13.489 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.328 0.959 -15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.480 0.606 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.563 -1.356 -15.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.459 -1.456 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.079 -1.078 -14.534 1.00 0.00 H new ATOM 468 N GLY A 33 2.798 -0.829 -9.049 1.00 0.00 N ATOM 469 CA GLY A 33 3.432 -2.130 -8.941 1.00 0.00 C ATOM 470 C GLY A 33 4.455 -2.185 -7.824 1.00 0.00 C ATOM 471 O GLY A 33 5.567 -2.679 -8.015 1.00 0.00 O ATOM 0 H GLY A 33 2.034 -0.669 -8.393 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.669 -2.889 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.917 -2.374 -9.886 1.00 0.00 H new ATOM 475 N ASP A 34 4.081 -1.677 -6.655 1.00 0.00 N ATOM 476 CA ASP A 34 4.975 -1.669 -5.503 1.00 0.00 C ATOM 477 C ASP A 34 4.233 -2.086 -4.237 1.00 0.00 C ATOM 478 O ASP A 34 3.235 -1.471 -3.861 1.00 0.00 O ATOM 479 CB ASP A 34 5.590 -0.281 -5.316 1.00 0.00 C ATOM 480 CG ASP A 34 6.814 -0.068 -6.185 1.00 0.00 C ATOM 481 OD1 ASP A 34 7.349 -1.067 -6.710 1.00 0.00 O ATOM 482 OD2 ASP A 34 7.237 1.097 -6.340 1.00 0.00 O ATOM 0 H ASP A 34 3.164 -1.265 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 34 5.773 -2.388 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.844 0.478 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.863 -0.146 -4.269 1.00 0.00 H new ATOM 487 N ILE A 35 4.727 -3.133 -3.585 1.00 0.00 N ATOM 488 CA ILE A 35 4.111 -3.630 -2.362 1.00 0.00 C ATOM 489 C ILE A 35 4.602 -2.855 -1.144 1.00 0.00 C ATOM 490 O ILE A 35 5.715 -2.329 -1.138 1.00 0.00 O ATOM 491 CB ILE A 35 4.402 -5.128 -2.154 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.817 -5.948 -3.306 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.836 -5.598 -0.822 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.411 -5.540 -3.686 1.00 0.00 C ATOM 0 H ILE A 35 5.552 -3.653 -3.884 1.00 0.00 H new ATOM 0 HA ILE A 35 3.036 -3.488 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 35 5.482 -5.274 -2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.464 -5.848 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.818 -7.002 -3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.050 -6.659 -0.690 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.295 -5.032 -0.012 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.757 -5.441 -0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.061 -6.163 -4.509 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.751 -5.667 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.407 -4.495 -3.995 1.00 0.00 H new ATOM 506 N ILE A 36 3.765 -2.790 -0.114 1.00 0.00 N ATOM 507 CA ILE A 36 4.116 -2.081 1.111 1.00 0.00 C ATOM 508 C ILE A 36 3.725 -2.889 2.344 1.00 0.00 C ATOM 509 O ILE A 36 2.550 -3.194 2.552 1.00 0.00 O ATOM 510 CB ILE A 36 3.435 -0.701 1.178 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.886 0.171 0.004 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.748 -0.020 2.501 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.986 1.361 -0.245 1.00 0.00 C ATOM 0 H ILE A 36 2.840 -3.219 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 36 5.197 -1.943 1.097 1.00 0.00 H new ATOM 0 HB ILE A 36 2.356 -0.840 1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.899 0.525 0.193 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.925 -0.440 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.260 0.954 2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.383 -0.636 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.826 0.111 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.366 1.934 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.977 1.014 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.966 1.994 0.642 1.00 0.00 H new ATOM 525 N ASP A 37 4.716 -3.230 3.160 1.00 0.00 N ATOM 526 CA ASP A 37 4.476 -4.000 4.375 1.00 0.00 C ATOM 527 C ASP A 37 3.813 -3.135 5.443 1.00 0.00 C ATOM 528 O ASP A 37 4.472 -2.328 6.099 1.00 0.00 O ATOM 529 CB ASP A 37 5.789 -4.574 4.908 1.00 0.00 C ATOM 530 CG ASP A 37 6.185 -5.859 4.208 1.00 0.00 C ATOM 531 OD1 ASP A 37 5.914 -5.982 2.995 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.767 -6.741 4.873 1.00 0.00 O ATOM 0 H ASP A 37 5.694 -2.985 3.002 1.00 0.00 H new ATOM 0 HA ASP A 37 3.803 -4.822 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.582 -3.836 4.783 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.693 -4.761 5.978 1.00 0.00 H new ATOM 537 N ILE A 38 2.507 -3.310 5.612 1.00 0.00 N ATOM 538 CA ILE A 38 1.756 -2.546 6.601 1.00 0.00 C ATOM 539 C ILE A 38 2.201 -2.892 8.017 1.00 0.00 C ATOM 540 O ILE A 38 2.063 -4.033 8.461 1.00 0.00 O ATOM 541 CB ILE A 38 0.242 -2.798 6.475 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.235 -2.475 5.058 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.520 -1.969 7.498 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.737 -2.555 4.892 1.00 0.00 C ATOM 0 H ILE A 38 1.947 -3.974 5.077 1.00 0.00 H new ATOM 0 HA ILE A 38 1.959 -1.493 6.406 1.00 0.00 H new ATOM 0 HB ILE A 38 0.047 -3.852 6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.099 -1.472 4.791 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.237 -3.165 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.589 -2.158 7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.197 -2.243 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.321 -0.911 7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.003 -2.314 3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.076 -3.564 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.216 -1.845 5.566 1.00 0.00 H new ATOM 556 N ILE A 39 2.735 -1.901 8.722 1.00 0.00 N ATOM 557 CA ILE A 39 3.198 -2.100 10.090 1.00 0.00 C ATOM 558 C ILE A 39 2.137 -1.671 11.098 1.00 0.00 C ATOM 559 O ILE A 39 1.822 -2.406 12.033 1.00 0.00 O ATOM 560 CB ILE A 39 4.496 -1.317 10.364 1.00 0.00 C ATOM 561 CG1 ILE A 39 5.591 -1.742 9.383 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.951 -1.533 11.800 1.00 0.00 C ATOM 563 CD1 ILE A 39 6.689 -0.715 9.221 1.00 0.00 C ATOM 0 H ILE A 39 2.858 -0.952 8.369 1.00 0.00 H new ATOM 0 HA ILE A 39 3.394 -3.166 10.205 1.00 0.00 H new ATOM 0 HB ILE A 39 4.299 -0.254 10.221 1.00 0.00 H new ATOM 0 HG12 ILE A 39 6.029 -2.680 9.724 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.140 -1.937 8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.869 -0.974 11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.176 -1.186 12.483 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.134 -2.594 11.968 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.430 -1.083 8.512 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.263 0.217 8.850 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.166 -0.538 10.185 1.00 0.00 H new ATOM 575 N SER A 40 1.588 -0.477 10.899 1.00 0.00 N ATOM 576 CA SER A 40 0.563 0.051 11.791 1.00 0.00 C ATOM 577 C SER A 40 -0.593 0.651 10.996 1.00 0.00 C ATOM 578 O SER A 40 -0.388 1.269 9.951 1.00 0.00 O ATOM 579 CB SER A 40 1.161 1.109 12.721 1.00 0.00 C ATOM 580 OG SER A 40 0.172 1.652 13.579 1.00 0.00 O ATOM 0 H SER A 40 1.836 0.143 10.128 1.00 0.00 H new ATOM 0 HA SER A 40 0.179 -0.774 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.959 0.665 13.316 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.610 1.906 12.129 1.00 0.00 H new ATOM 0 HG SER A 40 0.580 2.324 14.164 1.00 0.00 H new ATOM 586 N LYS A 41 -1.808 0.465 11.499 1.00 0.00 N ATOM 587 CA LYS A 41 -2.999 0.988 10.839 1.00 0.00 C ATOM 588 C LYS A 41 -3.968 1.583 11.855 1.00 0.00 C ATOM 589 O LYS A 41 -4.697 0.869 12.544 1.00 0.00 O ATOM 590 CB LYS A 41 -3.693 -0.119 10.042 1.00 0.00 C ATOM 591 CG LYS A 41 -2.939 -0.532 8.791 1.00 0.00 C ATOM 592 CD LYS A 41 -3.625 -1.689 8.083 1.00 0.00 C ATOM 593 CE LYS A 41 -4.838 -1.219 7.294 1.00 0.00 C ATOM 594 NZ LYS A 41 -5.736 -2.350 6.932 1.00 0.00 N ATOM 0 H LYS A 41 -1.995 -0.045 12.363 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.688 1.778 10.156 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.821 -0.991 10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.690 0.219 9.760 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.864 0.318 8.113 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.921 -0.818 9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.919 -2.176 7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.933 -2.435 8.816 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.393 -0.488 7.882 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.507 -0.713 6.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.344 -2.069 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.163 -3.173 6.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.328 -2.598 7.750 1.00 0.00 H new ATOM 608 N PRO A 42 -3.979 2.921 11.952 1.00 0.00 N ATOM 609 CA PRO A 42 -4.856 3.640 12.880 1.00 0.00 C ATOM 610 C PRO A 42 -6.323 3.560 12.472 1.00 0.00 C ATOM 611 O PRO A 42 -6.662 3.140 11.365 1.00 0.00 O ATOM 612 CB PRO A 42 -4.355 5.084 12.794 1.00 0.00 C ATOM 613 CG PRO A 42 -3.726 5.187 11.448 1.00 0.00 C ATOM 614 CD PRO A 42 -3.136 3.834 11.162 1.00 0.00 C ATOM 0 HA PRO A 42 -4.818 3.220 13.885 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.174 5.794 12.904 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.637 5.302 13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.463 5.459 10.693 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.957 5.959 11.435 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.173 3.596 10.099 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.090 3.779 11.465 1.00 0.00 H new ATOM 622 N PRO A 43 -7.216 3.971 13.385 1.00 0.00 N ATOM 623 CA PRO A 43 -8.661 3.956 13.142 1.00 0.00 C ATOM 624 C PRO A 43 -9.087 4.998 12.113 1.00 0.00 C ATOM 625 O PRO A 43 -9.860 4.704 11.202 1.00 0.00 O ATOM 626 CB PRO A 43 -9.255 4.285 14.513 1.00 0.00 C ATOM 627 CG PRO A 43 -8.186 5.049 15.216 1.00 0.00 C ATOM 628 CD PRO A 43 -6.882 4.483 14.725 1.00 0.00 C ATOM 0 HA PRO A 43 -8.996 3.002 12.735 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.166 4.875 14.418 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.518 3.379 15.058 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.257 6.114 14.995 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.276 4.941 16.297 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.104 5.245 14.682 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.516 3.691 15.378 1.00 0.00 H new ATOM 636 N MET A 44 -8.577 6.215 12.265 1.00 0.00 N ATOM 637 CA MET A 44 -8.903 7.300 11.347 1.00 0.00 C ATOM 638 C MET A 44 -7.645 8.049 10.920 1.00 0.00 C ATOM 639 O MET A 44 -6.919 8.589 11.754 1.00 0.00 O ATOM 640 CB MET A 44 -9.890 8.270 12.000 1.00 0.00 C ATOM 641 CG MET A 44 -10.646 9.132 11.002 1.00 0.00 C ATOM 642 SD MET A 44 -11.690 10.366 11.801 1.00 0.00 S ATOM 643 CE MET A 44 -11.433 11.775 10.725 1.00 0.00 C ATOM 0 H MET A 44 -7.936 6.475 13.015 1.00 0.00 H new ATOM 0 HA MET A 44 -9.364 6.865 10.460 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.607 7.702 12.593 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.348 8.917 12.689 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.933 9.634 10.348 1.00 0.00 H new ATOM 0 HG3 MET A 44 -11.263 8.493 10.370 1.00 0.00 H new ATOM 0 HE1 MET A 44 -12.015 12.622 11.089 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.375 12.038 10.717 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.752 11.523 9.714 1.00 0.00 H new ATOM 653 N GLY A 45 -7.391 8.076 9.615 1.00 0.00 N ATOM 654 CA GLY A 45 -6.220 8.760 9.101 1.00 0.00 C ATOM 655 C GLY A 45 -5.494 7.952 8.044 1.00 0.00 C ATOM 656 O GLY A 45 -6.105 7.154 7.332 1.00 0.00 O ATOM 0 H GLY A 45 -7.976 7.636 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.520 9.719 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.537 8.973 9.924 1.00 0.00 H new ATOM 660 N THR A 46 -4.185 8.159 7.938 1.00 0.00 N ATOM 661 CA THR A 46 -3.375 7.446 6.958 1.00 0.00 C ATOM 662 C THR A 46 -2.762 6.188 7.562 1.00 0.00 C ATOM 663 O THR A 46 -2.643 6.069 8.782 1.00 0.00 O ATOM 664 CB THR A 46 -2.247 8.339 6.405 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.749 9.653 6.138 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.663 7.745 5.132 1.00 0.00 C ATOM 0 H THR A 46 -3.663 8.815 8.519 1.00 0.00 H new ATOM 0 HA THR A 46 -4.040 7.166 6.141 1.00 0.00 H new ATOM 0 HB THR A 46 -1.458 8.398 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.026 10.215 5.789 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.869 8.392 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.256 6.757 5.345 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.445 7.660 4.378 1.00 0.00 H new ATOM 674 N TRP A 47 -2.373 5.254 6.702 1.00 0.00 N ATOM 675 CA TRP A 47 -1.771 4.004 7.153 1.00 0.00 C ATOM 676 C TRP A 47 -0.249 4.100 7.147 1.00 0.00 C ATOM 677 O TRP A 47 0.322 5.014 6.552 1.00 0.00 O ATOM 678 CB TRP A 47 -2.225 2.846 6.263 1.00 0.00 C ATOM 679 CG TRP A 47 -3.653 2.450 6.486 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.452 2.817 7.531 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.451 1.610 5.645 1.00 0.00 C ATOM 682 NE1 TRP A 47 -5.698 2.256 7.390 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.723 1.511 6.241 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.215 0.932 4.445 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.753 0.762 5.678 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -5.238 0.189 3.888 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.494 0.109 4.503 1.00 0.00 C ATOM 0 H TRP A 47 -2.463 5.338 5.689 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.101 3.818 8.175 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.092 3.127 5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.584 1.984 6.446 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.149 3.455 8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.478 2.375 8.036 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.250 0.988 3.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.722 0.698 6.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.066 -0.340 2.962 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.273 -0.479 4.041 1.00 0.00 H new ATOM 698 N MET A 48 0.402 3.151 7.811 1.00 0.00 N ATOM 699 CA MET A 48 1.858 3.129 7.880 1.00 0.00 C ATOM 700 C MET A 48 2.405 1.787 7.404 1.00 0.00 C ATOM 701 O MET A 48 1.908 0.730 7.792 1.00 0.00 O ATOM 702 CB MET A 48 2.327 3.405 9.310 1.00 0.00 C ATOM 703 CG MET A 48 3.831 3.277 9.493 1.00 0.00 C ATOM 704 SD MET A 48 4.351 3.571 11.194 1.00 0.00 S ATOM 705 CE MET A 48 4.863 5.285 11.099 1.00 0.00 C ATOM 0 H MET A 48 -0.056 2.387 8.309 1.00 0.00 H new ATOM 0 HA MET A 48 2.239 3.911 7.223 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.019 4.410 9.597 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.827 2.713 9.987 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.147 2.279 9.188 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.335 3.986 8.836 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.212 5.615 12.077 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.670 5.384 10.373 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.018 5.900 10.789 1.00 0.00 H new ATOM 715 N GLY A 49 3.431 1.837 6.560 1.00 0.00 N ATOM 716 CA GLY A 49 4.027 0.618 6.044 1.00 0.00 C ATOM 717 C GLY A 49 5.478 0.806 5.644 1.00 0.00 C ATOM 718 O GLY A 49 5.926 1.931 5.417 1.00 0.00 O ATOM 0 H GLY A 49 3.860 2.699 6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.960 -0.164 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.457 0.276 5.181 1.00 0.00 H new ATOM 722 N LEU A 50 6.214 -0.296 5.560 1.00 0.00 N ATOM 723 CA LEU A 50 7.623 -0.248 5.187 1.00 0.00 C ATOM 724 C LEU A 50 7.800 -0.505 3.694 1.00 0.00 C ATOM 725 O LEU A 50 7.187 -1.414 3.133 1.00 0.00 O ATOM 726 CB LEU A 50 8.420 -1.277 5.992 1.00 0.00 C ATOM 727 CG LEU A 50 9.937 -1.247 5.805 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.541 -0.060 6.539 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.560 -2.548 6.288 1.00 0.00 C ATOM 0 H LEU A 50 5.859 -1.234 5.745 1.00 0.00 H new ATOM 0 HA LEU A 50 7.999 0.750 5.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.202 -1.129 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.061 -2.272 5.728 1.00 0.00 H new ATOM 0 HG LEU A 50 10.151 -1.138 4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.621 -0.055 6.395 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.118 0.864 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.317 -0.138 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.640 -2.509 6.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.337 -2.688 7.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.150 -3.381 5.718 1.00 0.00 H new ATOM 741 N LEU A 51 8.644 0.299 3.057 1.00 0.00 N ATOM 742 CA LEU A 51 8.904 0.157 1.628 1.00 0.00 C ATOM 743 C LEU A 51 10.338 0.557 1.294 1.00 0.00 C ATOM 744 O LEU A 51 10.717 1.719 1.432 1.00 0.00 O ATOM 745 CB LEU A 51 7.924 1.012 0.824 1.00 0.00 C ATOM 746 CG LEU A 51 8.267 1.219 -0.652 1.00 0.00 C ATOM 747 CD1 LEU A 51 8.212 -0.102 -1.403 1.00 0.00 C ATOM 748 CD2 LEU A 51 7.323 2.232 -1.283 1.00 0.00 C ATOM 0 H LEU A 51 9.160 1.055 3.507 1.00 0.00 H new ATOM 0 HA LEU A 51 8.766 -0.891 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.937 0.553 0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.851 1.990 1.300 1.00 0.00 H new ATOM 0 HG LEU A 51 9.283 1.609 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.459 0.065 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.929 -0.798 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.209 -0.521 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.582 2.366 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.297 1.871 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.412 3.186 -0.763 1.00 0.00 H new ATOM 760 N ASN A 52 11.130 -0.415 0.851 1.00 0.00 N ATOM 761 CA ASN A 52 12.521 -0.164 0.495 1.00 0.00 C ATOM 762 C ASN A 52 13.313 0.325 1.705 1.00 0.00 C ATOM 763 O ASN A 52 14.118 1.249 1.600 1.00 0.00 O ATOM 764 CB ASN A 52 12.603 0.867 -0.632 1.00 0.00 C ATOM 765 CG ASN A 52 12.222 0.283 -1.979 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.280 -0.930 -2.181 1.00 0.00 O ATOM 767 ND2 ASN A 52 11.828 1.146 -2.908 1.00 0.00 N ATOM 0 H ASN A 52 10.832 -1.383 0.730 1.00 0.00 H new ATOM 0 HA ASN A 52 12.957 -1.102 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.944 1.705 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.617 1.264 -0.685 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.558 0.812 -3.833 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.795 2.143 -2.697 1.00 0.00 H new ATOM 774 N ASN A 53 13.078 -0.304 2.852 1.00 0.00 N ATOM 775 CA ASN A 53 13.768 0.067 4.082 1.00 0.00 C ATOM 776 C ASN A 53 13.412 1.491 4.498 1.00 0.00 C ATOM 777 O ASN A 53 14.273 2.257 4.932 1.00 0.00 O ATOM 778 CB ASN A 53 15.282 -0.059 3.899 1.00 0.00 C ATOM 779 CG ASN A 53 16.016 -0.184 5.220 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.399 -0.219 6.285 1.00 0.00 O ATOM 781 ND2 ASN A 53 17.341 -0.251 5.157 1.00 0.00 N ATOM 0 H ASN A 53 12.415 -1.073 2.955 1.00 0.00 H new ATOM 0 HA ASN A 53 13.445 -0.614 4.870 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.499 -0.931 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.654 0.813 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 53 17.889 -0.335 6.013 1.00 0.00 H new ATOM 0 HD22 ASN A 53 17.811 -0.218 4.252 1.00 0.00 H new ATOM 788 N LYS A 54 12.137 1.839 4.364 1.00 0.00 N ATOM 789 CA LYS A 54 11.664 3.170 4.727 1.00 0.00 C ATOM 790 C LYS A 54 10.166 3.155 5.015 1.00 0.00 C ATOM 791 O LYS A 54 9.355 2.914 4.121 1.00 0.00 O ATOM 792 CB LYS A 54 11.969 4.166 3.606 1.00 0.00 C ATOM 793 CG LYS A 54 11.618 5.601 3.955 1.00 0.00 C ATOM 794 CD LYS A 54 11.406 6.443 2.708 1.00 0.00 C ATOM 795 CE LYS A 54 12.723 6.973 2.162 1.00 0.00 C ATOM 796 NZ LYS A 54 13.335 7.981 3.072 1.00 0.00 N ATOM 0 H LYS A 54 11.412 1.217 4.006 1.00 0.00 H new ATOM 0 HA LYS A 54 12.187 3.480 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.029 4.110 3.360 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.419 3.873 2.712 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.714 5.617 4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.416 6.035 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.909 5.845 1.944 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.745 7.278 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.417 6.144 2.019 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.556 7.422 1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.995 8.578 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.588 8.575 3.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.850 7.494 3.833 1.00 0.00 H new ATOM 810 N VAL A 55 9.806 3.417 6.267 1.00 0.00 N ATOM 811 CA VAL A 55 8.406 3.437 6.672 1.00 0.00 C ATOM 812 C VAL A 55 7.917 4.864 6.892 1.00 0.00 C ATOM 813 O VAL A 55 8.643 5.705 7.421 1.00 0.00 O ATOM 814 CB VAL A 55 8.183 2.625 7.962 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.242 2.967 8.998 1.00 0.00 C ATOM 816 CG2 VAL A 55 6.786 2.873 8.512 1.00 0.00 C ATOM 0 H VAL A 55 10.465 3.618 7.019 1.00 0.00 H new ATOM 0 HA VAL A 55 7.836 2.982 5.862 1.00 0.00 H new ATOM 0 HB VAL A 55 8.272 1.565 7.724 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.068 2.384 9.902 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.229 2.733 8.600 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.189 4.029 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.645 2.292 9.423 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.666 3.933 8.736 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.045 2.572 7.772 1.00 0.00 H new ATOM 826 N GLY A 56 6.681 5.131 6.483 1.00 0.00 N ATOM 827 CA GLY A 56 6.116 6.457 6.644 1.00 0.00 C ATOM 828 C GLY A 56 4.600 6.447 6.633 1.00 0.00 C ATOM 829 O GLY A 56 3.970 5.738 7.418 1.00 0.00 O ATOM 0 H GLY A 56 6.060 4.452 6.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.467 6.886 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.478 7.102 5.843 1.00 0.00 H new ATOM 833 N THR A 57 4.010 7.238 5.742 1.00 0.00 N ATOM 834 CA THR A 57 2.559 7.320 5.634 1.00 0.00 C ATOM 835 C THR A 57 2.108 7.197 4.183 1.00 0.00 C ATOM 836 O THR A 57 2.678 7.824 3.290 1.00 0.00 O ATOM 837 CB THR A 57 2.027 8.643 6.215 1.00 0.00 C ATOM 838 OG1 THR A 57 2.483 9.745 5.422 1.00 0.00 O ATOM 839 CG2 THR A 57 2.482 8.825 7.655 1.00 0.00 C ATOM 0 H THR A 57 4.516 7.831 5.084 1.00 0.00 H new ATOM 0 HA THR A 57 2.151 6.489 6.210 1.00 0.00 H new ATOM 0 HB THR A 57 0.938 8.609 6.197 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.139 10.582 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.094 9.767 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.108 8.000 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.571 8.839 7.693 1.00 0.00 H new ATOM 847 N PHE A 58 1.081 6.386 3.955 1.00 0.00 N ATOM 848 CA PHE A 58 0.553 6.180 2.611 1.00 0.00 C ATOM 849 C PHE A 58 -0.962 6.000 2.643 1.00 0.00 C ATOM 850 O PHE A 58 -1.495 5.276 3.484 1.00 0.00 O ATOM 851 CB PHE A 58 1.210 4.959 1.963 1.00 0.00 C ATOM 852 CG PHE A 58 0.728 3.652 2.524 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.324 3.102 3.647 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.322 2.972 1.927 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.883 1.899 4.165 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.768 1.769 2.441 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.164 1.231 3.561 1.00 0.00 C ATOM 0 H PHE A 58 0.597 5.860 4.683 1.00 0.00 H new ATOM 0 HA PHE A 58 0.783 7.065 2.018 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.017 4.978 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.290 5.025 2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.143 3.620 4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.797 3.387 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.357 1.482 5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.588 1.250 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.510 0.290 3.963 1.00 0.00 H new ATOM 867 N LYS A 59 -1.650 6.665 1.721 1.00 0.00 N ATOM 868 CA LYS A 59 -3.103 6.579 1.642 1.00 0.00 C ATOM 869 C LYS A 59 -3.541 5.212 1.126 1.00 0.00 C ATOM 870 O LYS A 59 -2.726 4.438 0.622 1.00 0.00 O ATOM 871 CB LYS A 59 -3.650 7.679 0.729 1.00 0.00 C ATOM 872 CG LYS A 59 -3.438 9.082 1.273 1.00 0.00 C ATOM 873 CD LYS A 59 -4.480 10.050 0.739 1.00 0.00 C ATOM 874 CE LYS A 59 -5.802 9.912 1.479 1.00 0.00 C ATOM 875 NZ LYS A 59 -6.582 11.180 1.465 1.00 0.00 N ATOM 0 H LYS A 59 -1.224 7.269 1.018 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.505 6.714 2.646 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.172 7.601 -0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.717 7.515 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.483 9.062 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.442 9.432 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.113 11.072 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.636 9.867 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.392 9.118 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.611 9.615 2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.475 11.044 1.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.030 11.932 1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.787 11.451 0.482 1.00 0.00 H new ATOM 889 N PHE A 60 -4.831 4.921 1.253 1.00 0.00 N ATOM 890 CA PHE A 60 -5.376 3.647 0.799 1.00 0.00 C ATOM 891 C PHE A 60 -5.992 3.784 -0.591 1.00 0.00 C ATOM 892 O PHE A 60 -5.835 2.906 -1.440 1.00 0.00 O ATOM 893 CB PHE A 60 -6.427 3.137 1.787 1.00 0.00 C ATOM 894 CG PHE A 60 -7.290 4.225 2.360 1.00 0.00 C ATOM 895 CD1 PHE A 60 -6.863 4.963 3.452 1.00 0.00 C ATOM 896 CD2 PHE A 60 -8.527 4.510 1.806 1.00 0.00 C ATOM 897 CE1 PHE A 60 -7.655 5.964 3.982 1.00 0.00 C ATOM 898 CE2 PHE A 60 -9.324 5.510 2.331 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.886 6.239 3.420 1.00 0.00 C ATOM 0 H PHE A 60 -5.519 5.550 1.667 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.558 2.928 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -7.062 2.407 1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.925 2.615 2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -5.900 4.754 3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -8.873 3.944 0.954 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -7.311 6.531 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.287 5.721 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.505 7.023 3.831 1.00 0.00 H new ATOM 909 N ILE A 61 -6.694 4.890 -0.814 1.00 0.00 N ATOM 910 CA ILE A 61 -7.333 5.142 -2.100 1.00 0.00 C ATOM 911 C ILE A 61 -6.352 4.940 -3.250 1.00 0.00 C ATOM 912 O ILE A 61 -6.755 4.693 -4.387 1.00 0.00 O ATOM 913 CB ILE A 61 -7.907 6.569 -2.173 1.00 0.00 C ATOM 914 CG1 ILE A 61 -6.798 7.600 -1.950 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.017 6.747 -1.149 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.272 9.032 -2.068 1.00 0.00 C ATOM 0 H ILE A 61 -6.835 5.625 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.150 4.426 -2.193 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.328 6.725 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.366 7.449 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.002 7.428 -2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.412 7.761 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.815 6.033 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.620 6.575 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.434 9.708 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.677 9.200 -3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.047 9.221 -1.325 1.00 0.00 H new ATOM 928 N TYR A 62 -5.064 5.046 -2.947 1.00 0.00 N ATOM 929 CA TYR A 62 -4.024 4.877 -3.955 1.00 0.00 C ATOM 930 C TYR A 62 -3.651 3.405 -4.111 1.00 0.00 C ATOM 931 O TYR A 62 -3.226 2.970 -5.181 1.00 0.00 O ATOM 932 CB TYR A 62 -2.785 5.692 -3.583 1.00 0.00 C ATOM 933 CG TYR A 62 -2.950 7.179 -3.803 1.00 0.00 C ATOM 934 CD1 TYR A 62 -3.516 7.670 -4.972 1.00 0.00 C ATOM 935 CD2 TYR A 62 -2.540 8.093 -2.840 1.00 0.00 C ATOM 936 CE1 TYR A 62 -3.668 9.027 -5.177 1.00 0.00 C ATOM 937 CE2 TYR A 62 -2.689 9.452 -3.035 1.00 0.00 C ATOM 938 CZ TYR A 62 -3.253 9.914 -4.206 1.00 0.00 C ATOM 939 OH TYR A 62 -3.404 11.267 -4.406 1.00 0.00 O ATOM 0 H TYR A 62 -4.714 5.248 -2.010 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.414 5.238 -4.907 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.544 5.513 -2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.938 5.338 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.843 6.978 -5.734 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.097 7.734 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.109 9.392 -6.093 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.366 10.149 -2.276 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.063 11.753 -3.627 1.00 0.00 H new ATOM 949 N VAL A 63 -3.815 2.643 -3.034 1.00 0.00 N ATOM 950 CA VAL A 63 -3.498 1.220 -3.049 1.00 0.00 C ATOM 951 C VAL A 63 -4.758 0.375 -2.910 1.00 0.00 C ATOM 952 O VAL A 63 -5.861 0.904 -2.767 1.00 0.00 O ATOM 953 CB VAL A 63 -2.518 0.851 -1.920 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.180 1.545 -2.126 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.109 1.208 -0.564 1.00 0.00 C ATOM 0 H VAL A 63 -4.166 2.988 -2.140 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.028 1.011 -4.010 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.350 -0.226 -1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.501 1.272 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.753 1.236 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.327 2.625 -2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.403 0.940 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.308 2.279 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.040 0.661 -0.417 1.00 0.00 H new ATOM 965 N ASP A 64 -4.588 -0.942 -2.952 1.00 0.00 N ATOM 966 CA ASP A 64 -5.713 -1.863 -2.828 1.00 0.00 C ATOM 967 C ASP A 64 -5.425 -2.935 -1.782 1.00 0.00 C ATOM 968 O ASP A 64 -4.557 -3.787 -1.974 1.00 0.00 O ATOM 969 CB ASP A 64 -6.014 -2.517 -4.177 1.00 0.00 C ATOM 970 CG ASP A 64 -6.839 -1.623 -5.083 1.00 0.00 C ATOM 971 OD1 ASP A 64 -7.784 -0.978 -4.581 1.00 0.00 O ATOM 972 OD2 ASP A 64 -6.538 -1.566 -6.293 1.00 0.00 O ATOM 0 H ASP A 64 -3.682 -1.396 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.584 -1.293 -2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.076 -2.767 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.547 -3.454 -4.013 1.00 0.00 H new ATOM 977 N VAL A 65 -6.158 -2.886 -0.675 1.00 0.00 N ATOM 978 CA VAL A 65 -5.982 -3.853 0.402 1.00 0.00 C ATOM 979 C VAL A 65 -6.242 -5.274 -0.087 1.00 0.00 C ATOM 980 O VAL A 65 -7.363 -5.617 -0.465 1.00 0.00 O ATOM 981 CB VAL A 65 -6.919 -3.551 1.587 1.00 0.00 C ATOM 982 CG1 VAL A 65 -6.732 -4.580 2.691 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.675 -2.144 2.112 1.00 0.00 C ATOM 0 H VAL A 65 -6.880 -2.187 -0.500 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.948 -3.770 0.736 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.950 -3.611 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.402 -4.350 3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.960 -5.574 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.700 -4.555 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.345 -1.947 2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.641 -2.054 2.446 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.864 -1.422 1.318 1.00 0.00 H new ATOM 993 N LEU A 66 -5.200 -6.097 -0.076 1.00 0.00 N ATOM 994 CA LEU A 66 -5.315 -7.483 -0.518 1.00 0.00 C ATOM 995 C LEU A 66 -5.703 -8.394 0.642 1.00 0.00 C ATOM 996 O LEU A 66 -5.436 -8.085 1.803 1.00 0.00 O ATOM 997 CB LEU A 66 -3.995 -7.954 -1.131 1.00 0.00 C ATOM 998 CG LEU A 66 -3.423 -7.079 -2.247 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.980 -7.460 -2.538 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -4.271 -7.196 -3.505 1.00 0.00 C ATOM 0 H LEU A 66 -4.266 -5.829 0.234 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.099 -7.534 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.253 -8.025 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.139 -8.961 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.443 -6.041 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.590 -6.827 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.379 -7.323 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.935 -8.504 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.849 -6.566 -4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.283 -8.233 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.289 -6.872 -3.289 1.00 0.00 H new ATOM 1012 N SER A 67 -6.334 -9.518 0.319 1.00 0.00 N ATOM 1013 CA SER A 67 -6.761 -10.474 1.334 1.00 0.00 C ATOM 1014 C SER A 67 -6.129 -11.842 1.093 1.00 0.00 C ATOM 1015 O SER A 67 -5.858 -12.220 -0.047 1.00 0.00 O ATOM 1016 CB SER A 67 -8.286 -10.598 1.339 1.00 0.00 C ATOM 1017 OG SER A 67 -8.703 -11.737 2.072 1.00 0.00 O ATOM 0 H SER A 67 -6.561 -9.789 -0.638 1.00 0.00 H new ATOM 0 HA SER A 67 -6.430 -10.106 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.725 -9.701 1.774 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.652 -10.667 0.315 1.00 0.00 H new ATOM 0 HG SER A 67 -9.681 -11.793 2.061 1.00 0.00 H new ATOM 1023 N SER A 68 -5.897 -12.578 2.174 1.00 0.00 N ATOM 1024 CA SER A 68 -5.293 -13.903 2.082 1.00 0.00 C ATOM 1025 C SER A 68 -6.179 -14.951 2.749 1.00 0.00 C ATOM 1026 O SER A 68 -6.280 -15.006 3.974 1.00 0.00 O ATOM 1027 CB SER A 68 -3.908 -13.901 2.731 1.00 0.00 C ATOM 1028 OG SER A 68 -3.307 -15.182 2.653 1.00 0.00 O ATOM 0 H SER A 68 -6.118 -12.280 3.124 1.00 0.00 H new ATOM 0 HA SER A 68 -5.191 -14.157 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.272 -13.167 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.992 -13.598 3.775 1.00 0.00 H new ATOM 0 HG SER A 68 -2.422 -15.154 3.073 1.00 0.00 H new ATOM 1034 N GLY A 69 -6.819 -15.783 1.932 1.00 0.00 N ATOM 1035 CA GLY A 69 -7.688 -16.818 2.460 1.00 0.00 C ATOM 1036 C GLY A 69 -9.040 -16.845 1.776 1.00 0.00 C ATOM 1037 O GLY A 69 -9.182 -16.451 0.618 1.00 0.00 O ATOM 0 H GLY A 69 -6.751 -15.758 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -7.205 -17.788 2.342 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.828 -16.660 3.529 1.00 0.00 H new ATOM 1041 N PRO A 70 -10.064 -17.319 2.499 1.00 0.00 N ATOM 1042 CA PRO A 70 -11.430 -17.408 1.975 1.00 0.00 C ATOM 1043 C PRO A 70 -12.070 -16.036 1.789 1.00 0.00 C ATOM 1044 O PRO A 70 -11.501 -15.017 2.180 1.00 0.00 O ATOM 1045 CB PRO A 70 -12.173 -18.203 3.052 1.00 0.00 C ATOM 1046 CG PRO A 70 -11.405 -17.953 4.304 1.00 0.00 C ATOM 1047 CD PRO A 70 -9.968 -17.806 3.886 1.00 0.00 C ATOM 0 HA PRO A 70 -11.458 -17.871 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.206 -17.870 3.148 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.202 -19.266 2.811 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -11.759 -17.053 4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -11.525 -18.778 5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.434 -17.101 4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.434 -18.755 3.943 1.00 0.00 H new ATOM 1055 N SER A 71 -13.256 -16.018 1.190 1.00 0.00 N ATOM 1056 CA SER A 71 -13.972 -14.771 0.949 1.00 0.00 C ATOM 1057 C SER A 71 -14.309 -14.075 2.264 1.00 0.00 C ATOM 1058 O SER A 71 -14.938 -14.660 3.145 1.00 0.00 O ATOM 1059 CB SER A 71 -15.254 -15.038 0.158 1.00 0.00 C ATOM 1060 OG SER A 71 -15.917 -13.827 -0.164 1.00 0.00 O ATOM 0 H SER A 71 -13.742 -16.853 0.863 1.00 0.00 H new ATOM 0 HA SER A 71 -13.324 -14.116 0.367 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.014 -15.579 -0.757 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.918 -15.676 0.741 1.00 0.00 H new ATOM 0 HG SER A 71 -16.732 -14.025 -0.671 1.00 0.00 H new ATOM 1066 N SER A 72 -13.884 -12.821 2.389 1.00 0.00 N ATOM 1067 CA SER A 72 -14.136 -12.045 3.597 1.00 0.00 C ATOM 1068 C SER A 72 -15.448 -11.275 3.484 1.00 0.00 C ATOM 1069 O SER A 72 -15.803 -10.785 2.413 1.00 0.00 O ATOM 1070 CB SER A 72 -12.982 -11.075 3.855 1.00 0.00 C ATOM 1071 OG SER A 72 -13.118 -10.445 5.117 1.00 0.00 O ATOM 0 H SER A 72 -13.364 -12.321 1.668 1.00 0.00 H new ATOM 0 HA SER A 72 -14.213 -12.738 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.035 -11.613 3.814 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.955 -10.320 3.069 1.00 0.00 H new ATOM 0 HG SER A 72 -12.367 -9.831 5.259 1.00 0.00 H new ATOM 1077 N GLY A 73 -16.164 -11.172 4.600 1.00 0.00 N ATOM 1078 CA GLY A 73 -17.429 -10.461 4.606 1.00 0.00 C ATOM 1079 C GLY A 73 -17.260 -8.980 4.883 1.00 0.00 C ATOM 1080 O GLY A 73 -16.407 -8.324 4.287 1.00 0.00 O ATOM 0 H GLY A 73 -15.891 -11.568 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.921 -10.593 3.643 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.084 -10.896 5.361 1.00 0.00 H new TER 1084 GLY A 73