USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 756 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 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.466 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 36 LYS NZ :NH3+ 161:sc= -0.0491 (180deg=-0.363) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0736 K(o=-0.074,f=-1.8!) USER MOD Single : A 46 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.27) USER MOD Single : A 51 SER OG : rot 180:sc=0.000595 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -1.39! C(o=-1.4!,f=-0.91!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= -0.422 USER MOD Single : A 62 GLN : amide:sc= -1.78 K(o=-1.8,f=0.29) USER MOD Single : A 68 ASN : amide:sc= -0.321 K(o=-0.32,f=-3.8!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 27:sc= -1.28 USER MOD Single : A 71 GLN : amide:sc= -0.797 K(o=-0.8,f=0) USER MOD Single : A 72 MET CE :methyl 175:sc= -0.0188 (180deg=-0.103) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 130:sc= -0.404 USER MOD Single : A 78 TYR OH : rot -54:sc= 1.3 USER MOD Single : A 79 TYR OH : rot 88:sc= 0.0461 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 CYS SG : rot 177:sc= -3.18! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 118:sc= 0.914 USER MOD Single : A 95 SER OG : rot 45:sc= 0.899 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.673 2.440 -27.850 1.00 0.00 N ATOM 2 CA GLY A 1 -21.673 3.268 -28.498 1.00 0.00 C ATOM 3 C GLY A 1 -20.630 3.783 -27.526 1.00 0.00 C ATOM 4 O GLY A 1 -19.440 3.506 -27.678 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.363 2.113 -28.556 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.211 1.618 -27.410 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.162 2.995 -27.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.182 2.692 -29.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.163 4.113 -28.982 1.00 0.00 H new ATOM 8 N SER A 2 -21.075 4.537 -26.526 1.00 0.00 N ATOM 9 CA SER A 2 -20.171 5.097 -25.529 1.00 0.00 C ATOM 10 C SER A 2 -19.213 4.031 -25.004 1.00 0.00 C ATOM 11 O SER A 2 -19.638 3.024 -24.438 1.00 0.00 O ATOM 12 CB SER A 2 -20.966 5.700 -24.370 1.00 0.00 C ATOM 13 OG SER A 2 -21.716 6.824 -24.796 1.00 0.00 O ATOM 0 H SER A 2 -22.057 4.774 -26.385 1.00 0.00 H new ATOM 0 HA SER A 2 -19.586 5.883 -26.006 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.637 4.948 -23.955 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.285 5.995 -23.572 1.00 0.00 H new ATOM 0 HG SER A 2 -22.216 7.190 -24.037 1.00 0.00 H new ATOM 19 N SER A 3 -17.919 4.261 -25.197 1.00 0.00 N ATOM 20 CA SER A 3 -16.900 3.319 -24.747 1.00 0.00 C ATOM 21 C SER A 3 -16.717 3.398 -23.235 1.00 0.00 C ATOM 22 O SER A 3 -15.842 4.107 -22.740 1.00 0.00 O ATOM 23 CB SER A 3 -15.570 3.601 -25.449 1.00 0.00 C ATOM 24 OG SER A 3 -14.765 2.436 -25.502 1.00 0.00 O ATOM 0 H SER A 3 -17.551 5.091 -25.662 1.00 0.00 H new ATOM 0 HA SER A 3 -17.232 2.313 -25.003 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.758 3.963 -26.460 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.037 4.392 -24.921 1.00 0.00 H new ATOM 0 HG SER A 3 -13.922 2.642 -25.957 1.00 0.00 H new ATOM 30 N GLY A 4 -17.551 2.664 -22.505 1.00 0.00 N ATOM 31 CA GLY A 4 -17.466 2.665 -21.056 1.00 0.00 C ATOM 32 C GLY A 4 -16.372 1.753 -20.539 1.00 0.00 C ATOM 33 O GLY A 4 -15.725 1.047 -21.313 1.00 0.00 O ATOM 0 H GLY A 4 -18.284 2.069 -22.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.283 3.681 -20.707 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.423 2.352 -20.639 1.00 0.00 H new ATOM 37 N SER A 5 -16.162 1.768 -19.226 1.00 0.00 N ATOM 38 CA SER A 5 -15.133 0.940 -18.607 1.00 0.00 C ATOM 39 C SER A 5 -15.679 0.229 -17.372 1.00 0.00 C ATOM 40 O SER A 5 -15.765 0.814 -16.293 1.00 0.00 O ATOM 41 CB SER A 5 -13.923 1.793 -18.225 1.00 0.00 C ATOM 42 OG SER A 5 -13.068 1.993 -19.337 1.00 0.00 O ATOM 0 H SER A 5 -16.690 2.344 -18.571 1.00 0.00 H new ATOM 0 HA SER A 5 -14.823 0.187 -19.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.260 2.757 -17.843 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.371 1.307 -17.421 1.00 0.00 H new ATOM 0 HG SER A 5 -12.303 2.543 -19.067 1.00 0.00 H new ATOM 48 N SER A 6 -16.047 -1.037 -17.540 1.00 0.00 N ATOM 49 CA SER A 6 -16.588 -1.828 -16.441 1.00 0.00 C ATOM 50 C SER A 6 -15.468 -2.504 -15.655 1.00 0.00 C ATOM 51 O SER A 6 -14.429 -2.855 -16.212 1.00 0.00 O ATOM 52 CB SER A 6 -17.560 -2.883 -16.974 1.00 0.00 C ATOM 53 OG SER A 6 -18.555 -2.292 -17.792 1.00 0.00 O ATOM 0 H SER A 6 -15.980 -1.537 -18.427 1.00 0.00 H new ATOM 0 HA SER A 6 -17.124 -1.155 -15.771 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.012 -3.631 -17.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.032 -3.402 -16.140 1.00 0.00 H new ATOM 0 HG SER A 6 -19.163 -2.987 -18.122 1.00 0.00 H new ATOM 59 N GLY A 7 -15.689 -2.682 -14.356 1.00 0.00 N ATOM 60 CA GLY A 7 -14.691 -3.315 -13.514 1.00 0.00 C ATOM 61 C GLY A 7 -13.629 -2.341 -13.043 1.00 0.00 C ATOM 62 O GLY A 7 -12.695 -2.027 -13.781 1.00 0.00 O ATOM 0 H GLY A 7 -16.541 -2.399 -13.872 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.180 -3.761 -12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.217 -4.127 -14.065 1.00 0.00 H new ATOM 66 N ALA A 8 -13.771 -1.862 -11.812 1.00 0.00 N ATOM 67 CA ALA A 8 -12.816 -0.918 -11.244 1.00 0.00 C ATOM 68 C ALA A 8 -13.086 -0.689 -9.761 1.00 0.00 C ATOM 69 O ALA A 8 -14.187 -0.295 -9.375 1.00 0.00 O ATOM 70 CB ALA A 8 -12.862 0.400 -12.002 1.00 0.00 C ATOM 0 H ALA A 8 -14.538 -2.112 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.818 -1.345 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.144 1.095 -11.567 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.611 0.227 -13.049 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.864 0.824 -11.934 1.00 0.00 H new ATOM 76 N ALA A 9 -12.076 -0.938 -8.935 1.00 0.00 N ATOM 77 CA ALA A 9 -12.205 -0.757 -7.494 1.00 0.00 C ATOM 78 C ALA A 9 -11.151 0.209 -6.966 1.00 0.00 C ATOM 79 O ALA A 9 -11.332 0.828 -5.917 1.00 0.00 O ATOM 80 CB ALA A 9 -12.100 -2.098 -6.782 1.00 0.00 C ATOM 0 H ALA A 9 -11.159 -1.266 -9.239 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.186 -0.328 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.198 -1.948 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.895 -2.758 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.132 -2.550 -6.998 1.00 0.00 H new ATOM 86 N PHE A 10 -10.049 0.334 -7.698 1.00 0.00 N ATOM 87 CA PHE A 10 -8.964 1.224 -7.302 1.00 0.00 C ATOM 88 C PHE A 10 -8.997 2.516 -8.113 1.00 0.00 C ATOM 89 O PHE A 10 -8.640 2.531 -9.290 1.00 0.00 O ATOM 90 CB PHE A 10 -7.613 0.529 -7.483 1.00 0.00 C ATOM 91 CG PHE A 10 -7.195 -0.288 -6.294 1.00 0.00 C ATOM 92 CD1 PHE A 10 -6.726 0.328 -5.145 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.270 -1.671 -6.326 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.340 -0.422 -4.050 1.00 0.00 C ATOM 95 CE2 PHE A 10 -6.885 -2.426 -5.234 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.421 -1.800 -4.094 1.00 0.00 C ATOM 0 H PHE A 10 -9.884 -0.170 -8.569 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.098 1.473 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.661 -0.117 -8.359 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.850 1.282 -7.683 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.661 1.405 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.634 -2.165 -7.215 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.975 0.069 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.947 -3.504 -5.272 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.122 -2.387 -3.238 1.00 0.00 H new ATOM 106 N ALA A 11 -9.429 3.598 -7.474 1.00 0.00 N ATOM 107 CA ALA A 11 -9.508 4.895 -8.134 1.00 0.00 C ATOM 108 C ALA A 11 -8.126 5.378 -8.561 1.00 0.00 C ATOM 109 O ALA A 11 -7.981 6.053 -9.581 1.00 0.00 O ATOM 110 CB ALA A 11 -10.165 5.915 -7.217 1.00 0.00 C ATOM 0 H ALA A 11 -9.730 3.602 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.118 4.782 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.217 6.879 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.172 5.582 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.577 6.016 -6.305 1.00 0.00 H new ATOM 116 N LYS A 12 -7.113 5.030 -7.775 1.00 0.00 N ATOM 117 CA LYS A 12 -5.742 5.427 -8.072 1.00 0.00 C ATOM 118 C LYS A 12 -4.756 4.352 -7.626 1.00 0.00 C ATOM 119 O LYS A 12 -4.776 3.917 -6.475 1.00 0.00 O ATOM 120 CB LYS A 12 -5.413 6.753 -7.383 1.00 0.00 C ATOM 121 CG LYS A 12 -5.698 7.972 -8.243 1.00 0.00 C ATOM 122 CD LYS A 12 -5.227 9.251 -7.571 1.00 0.00 C ATOM 123 CE LYS A 12 -3.723 9.432 -7.709 1.00 0.00 C ATOM 124 NZ LYS A 12 -3.172 10.326 -6.654 1.00 0.00 N ATOM 0 H LYS A 12 -7.216 4.473 -6.927 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.652 5.553 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.989 6.827 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.360 6.755 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.201 7.862 -9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.768 8.037 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.739 10.105 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.497 9.229 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.234 8.460 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.496 9.847 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.145 10.423 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.620 11.262 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.366 9.918 -5.717 1.00 0.00 H new ATOM 138 N ILE A 13 -3.893 3.929 -8.545 1.00 0.00 N ATOM 139 CA ILE A 13 -2.898 2.908 -8.245 1.00 0.00 C ATOM 140 C ILE A 13 -1.573 3.537 -7.829 1.00 0.00 C ATOM 141 O ILE A 13 -1.251 4.656 -8.231 1.00 0.00 O ATOM 142 CB ILE A 13 -2.658 1.983 -9.453 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.153 2.793 -10.649 1.00 0.00 C ATOM 144 CG2 ILE A 13 -3.935 1.239 -9.812 1.00 0.00 C ATOM 145 CD1 ILE A 13 -1.501 1.946 -11.720 1.00 0.00 C ATOM 0 H ILE A 13 -3.864 4.278 -9.503 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.292 2.317 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.897 1.250 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.989 3.338 -11.087 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.437 3.536 -10.298 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.749 0.589 -10.667 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.256 0.637 -8.962 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.716 1.957 -10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.167 2.586 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.645 1.421 -11.297 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.221 1.220 -12.099 1.00 0.00 H new ATOM 157 N LEU A 14 -0.807 2.810 -7.023 1.00 0.00 N ATOM 158 CA LEU A 14 0.486 3.295 -6.553 1.00 0.00 C ATOM 159 C LEU A 14 1.459 3.465 -7.716 1.00 0.00 C ATOM 160 O LEU A 14 1.312 2.828 -8.759 1.00 0.00 O ATOM 161 CB LEU A 14 1.071 2.330 -5.520 1.00 0.00 C ATOM 162 CG LEU A 14 0.124 1.887 -4.404 1.00 0.00 C ATOM 163 CD1 LEU A 14 -0.580 0.594 -4.784 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.883 1.720 -3.096 1.00 0.00 C ATOM 0 H LEU A 14 -1.059 1.883 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 14 0.333 4.268 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.426 1.441 -6.042 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.942 2.801 -5.065 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.632 2.660 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.250 0.294 -3.978 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.156 0.748 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.161 -0.188 -4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.194 1.404 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.661 0.966 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.340 2.670 -2.816 1.00 0.00 H new ATOM 176 N ASP A 15 2.454 4.325 -7.527 1.00 0.00 N ATOM 177 CA ASP A 15 3.454 4.576 -8.559 1.00 0.00 C ATOM 178 C ASP A 15 4.118 3.275 -8.999 1.00 0.00 C ATOM 179 O ASP A 15 4.211 2.309 -8.241 1.00 0.00 O ATOM 180 CB ASP A 15 4.511 5.555 -8.047 1.00 0.00 C ATOM 181 CG ASP A 15 3.913 6.666 -7.206 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.750 7.043 -7.462 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.607 7.157 -6.292 1.00 0.00 O ATOM 0 H ASP A 15 2.590 4.860 -6.669 1.00 0.00 H new ATOM 0 HA ASP A 15 2.950 5.015 -9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.248 5.012 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.040 5.990 -8.895 1.00 0.00 H new ATOM 188 N PRO A 16 4.591 3.247 -10.254 1.00 0.00 N ATOM 189 CA PRO A 16 5.255 2.070 -10.824 1.00 0.00 C ATOM 190 C PRO A 16 6.622 1.817 -10.198 1.00 0.00 C ATOM 191 O PRO A 16 7.243 0.782 -10.441 1.00 0.00 O ATOM 192 CB PRO A 16 5.402 2.429 -12.305 1.00 0.00 C ATOM 193 CG PRO A 16 5.413 3.918 -12.335 1.00 0.00 C ATOM 194 CD PRO A 16 4.515 4.362 -11.213 1.00 0.00 C ATOM 0 HA PRO A 16 4.688 1.156 -10.648 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.321 2.018 -12.723 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.577 2.027 -12.893 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.424 4.303 -12.202 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.053 4.292 -13.294 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.858 5.297 -10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.494 4.527 -11.557 1.00 0.00 H new ATOM 202 N ALA A 17 7.085 2.767 -9.393 1.00 0.00 N ATOM 203 CA ALA A 17 8.378 2.645 -8.731 1.00 0.00 C ATOM 204 C ALA A 17 8.603 3.791 -7.751 1.00 0.00 C ATOM 205 O ALA A 17 8.420 4.959 -8.093 1.00 0.00 O ATOM 206 CB ALA A 17 9.496 2.602 -9.762 1.00 0.00 C ATOM 0 H ALA A 17 6.584 3.630 -9.183 1.00 0.00 H new ATOM 0 HA ALA A 17 8.383 1.713 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.456 2.511 -9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.351 1.746 -10.420 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.483 3.519 -10.351 1.00 0.00 H new ATOM 212 N TYR A 18 9.001 3.449 -6.530 1.00 0.00 N ATOM 213 CA TYR A 18 9.248 4.449 -5.499 1.00 0.00 C ATOM 214 C TYR A 18 10.735 4.534 -5.168 1.00 0.00 C ATOM 215 O TYR A 18 11.519 3.669 -5.556 1.00 0.00 O ATOM 216 CB TYR A 18 8.451 4.118 -4.236 1.00 0.00 C ATOM 217 CG TYR A 18 6.971 4.399 -4.363 1.00 0.00 C ATOM 218 CD1 TYR A 18 6.176 3.663 -5.232 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.368 5.401 -3.613 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.823 3.917 -5.352 1.00 0.00 C ATOM 221 CE2 TYR A 18 5.016 5.662 -3.725 1.00 0.00 C ATOM 222 CZ TYR A 18 4.248 4.917 -4.596 1.00 0.00 C ATOM 223 OH TYR A 18 2.901 5.173 -4.711 1.00 0.00 O ATOM 0 H TYR A 18 9.159 2.487 -6.231 1.00 0.00 H new ATOM 0 HA TYR A 18 8.923 5.417 -5.882 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.593 3.065 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.852 4.695 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.623 2.878 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.967 5.986 -2.931 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.219 3.336 -6.034 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.563 6.444 -3.134 1.00 0.00 H new ATOM 0 HH TYR A 18 2.655 5.907 -4.110 1.00 0.00 H new ATOM 233 N GLN A 19 11.115 5.584 -4.446 1.00 0.00 N ATOM 234 CA GLN A 19 12.507 5.783 -4.062 1.00 0.00 C ATOM 235 C GLN A 19 12.605 6.495 -2.717 1.00 0.00 C ATOM 236 O GLN A 19 12.062 7.586 -2.539 1.00 0.00 O ATOM 237 CB GLN A 19 13.244 6.589 -5.134 1.00 0.00 C ATOM 238 CG GLN A 19 13.491 5.812 -6.417 1.00 0.00 C ATOM 239 CD GLN A 19 13.797 6.715 -7.596 1.00 0.00 C ATOM 240 OE1 GLN A 19 14.775 7.463 -7.582 1.00 0.00 O ATOM 241 NE2 GLN A 19 12.960 6.649 -8.625 1.00 0.00 N ATOM 0 H GLN A 19 10.478 6.309 -4.116 1.00 0.00 H new ATOM 0 HA GLN A 19 12.975 4.803 -3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.665 7.483 -5.366 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.200 6.924 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.322 5.124 -6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.614 5.207 -6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.162 6.014 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.115 7.233 -9.447 1.00 0.00 H new ATOM 250 N VAL A 20 13.299 5.870 -1.771 1.00 0.00 N ATOM 251 CA VAL A 20 13.468 6.444 -0.442 1.00 0.00 C ATOM 252 C VAL A 20 14.882 6.214 0.080 1.00 0.00 C ATOM 253 O VAL A 20 15.613 5.365 -0.430 1.00 0.00 O ATOM 254 CB VAL A 20 12.460 5.849 0.559 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.885 4.450 0.977 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.315 6.756 1.772 1.00 0.00 C ATOM 0 H VAL A 20 13.753 4.966 -1.901 1.00 0.00 H new ATOM 0 HA VAL A 20 13.287 7.515 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 20 11.489 5.777 0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.161 4.046 1.684 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.932 3.806 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.867 4.494 1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.599 6.320 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.282 6.862 2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.960 7.736 1.453 1.00 0.00 H new ATOM 266 N ASP A 21 15.261 6.976 1.100 1.00 0.00 N ATOM 267 CA ASP A 21 16.588 6.855 1.694 1.00 0.00 C ATOM 268 C ASP A 21 16.629 5.712 2.703 1.00 0.00 C ATOM 269 O ASP A 21 15.621 5.385 3.330 1.00 0.00 O ATOM 270 CB ASP A 21 16.988 8.166 2.373 1.00 0.00 C ATOM 271 CG ASP A 21 17.283 9.268 1.375 1.00 0.00 C ATOM 272 OD1 ASP A 21 17.817 8.958 0.289 1.00 0.00 O ATOM 273 OD2 ASP A 21 16.980 10.440 1.679 1.00 0.00 O ATOM 0 H ASP A 21 14.668 7.684 1.533 1.00 0.00 H new ATOM 0 HA ASP A 21 17.298 6.637 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.186 8.487 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.868 7.997 2.994 1.00 0.00 H new ATOM 278 N LYS A 22 17.802 5.105 2.854 1.00 0.00 N ATOM 279 CA LYS A 22 17.976 3.998 3.787 1.00 0.00 C ATOM 280 C LYS A 22 17.370 4.331 5.147 1.00 0.00 C ATOM 281 O LYS A 22 17.223 5.500 5.502 1.00 0.00 O ATOM 282 CB LYS A 22 19.462 3.668 3.947 1.00 0.00 C ATOM 283 CG LYS A 22 19.720 2.294 4.541 1.00 0.00 C ATOM 284 CD LYS A 22 21.179 1.894 4.408 1.00 0.00 C ATOM 285 CE LYS A 22 21.513 0.702 5.292 1.00 0.00 C ATOM 286 NZ LYS A 22 21.236 -0.591 4.607 1.00 0.00 N ATOM 0 H LYS A 22 18.646 5.361 2.342 1.00 0.00 H new ATOM 0 HA LYS A 22 17.458 3.129 3.381 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.946 3.730 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 19.927 4.422 4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.436 2.292 5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.093 1.557 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.397 1.650 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.815 2.738 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.564 0.744 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 22 20.931 0.758 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.396 -1.376 5.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.248 -0.607 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 21.871 -0.694 3.790 1.00 0.00 H new ATOM 300 N GLY A 23 17.021 3.296 5.904 1.00 0.00 N ATOM 301 CA GLY A 23 16.436 3.500 7.216 1.00 0.00 C ATOM 302 C GLY A 23 15.542 4.723 7.269 1.00 0.00 C ATOM 303 O GLY A 23 15.450 5.390 8.298 1.00 0.00 O ATOM 0 H GLY A 23 17.133 2.319 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.858 2.619 7.493 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.232 3.604 7.953 1.00 0.00 H new ATOM 307 N GLY A 24 14.881 5.019 6.154 1.00 0.00 N ATOM 308 CA GLY A 24 14.000 6.171 6.097 1.00 0.00 C ATOM 309 C GLY A 24 12.539 5.790 6.232 1.00 0.00 C ATOM 310 O GLY A 24 12.197 4.864 6.968 1.00 0.00 O ATOM 0 H GLY A 24 14.940 4.482 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.266 6.868 6.892 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.150 6.693 5.152 1.00 0.00 H new ATOM 314 N ARG A 25 11.674 6.506 5.522 1.00 0.00 N ATOM 315 CA ARG A 25 10.241 6.240 5.568 1.00 0.00 C ATOM 316 C ARG A 25 9.600 6.481 4.205 1.00 0.00 C ATOM 317 O ARG A 25 9.726 7.562 3.629 1.00 0.00 O ATOM 318 CB ARG A 25 9.571 7.123 6.622 1.00 0.00 C ATOM 319 CG ARG A 25 8.235 6.584 7.107 1.00 0.00 C ATOM 320 CD ARG A 25 7.326 7.703 7.591 1.00 0.00 C ATOM 321 NE ARG A 25 7.610 8.079 8.974 1.00 0.00 N ATOM 322 CZ ARG A 25 6.821 8.864 9.699 1.00 0.00 C ATOM 323 NH1 ARG A 25 5.705 9.352 9.176 1.00 0.00 N ATOM 324 NH2 ARG A 25 7.148 9.161 10.950 1.00 0.00 N ATOM 0 H ARG A 25 11.940 7.275 4.908 1.00 0.00 H new ATOM 0 HA ARG A 25 10.099 5.193 5.837 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.242 7.229 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.422 8.120 6.207 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.746 6.040 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.400 5.872 7.916 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.448 8.573 6.946 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.286 7.387 7.507 1.00 0.00 H new ATOM 0 HE ARG A 25 8.461 7.719 9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.450 9.125 8.215 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.101 9.955 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.006 8.786 11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.542 9.764 11.506 1.00 0.00 H new ATOM 338 N VAL A 26 8.910 5.466 3.693 1.00 0.00 N ATOM 339 CA VAL A 26 8.248 5.567 2.398 1.00 0.00 C ATOM 340 C VAL A 26 6.789 5.981 2.558 1.00 0.00 C ATOM 341 O VAL A 26 6.253 5.986 3.666 1.00 0.00 O ATOM 342 CB VAL A 26 8.311 4.234 1.630 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.734 3.947 1.173 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.780 3.098 2.491 1.00 0.00 C ATOM 0 H VAL A 26 8.795 4.564 4.156 1.00 0.00 H new ATOM 0 HA VAL A 26 8.779 6.330 1.829 1.00 0.00 H new ATOM 0 HB VAL A 26 7.680 4.315 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.759 3.001 0.632 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.074 4.749 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.390 3.885 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.832 2.163 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.383 3.014 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.744 3.301 2.763 1.00 0.00 H new ATOM 354 N ARG A 27 6.153 6.326 1.444 1.00 0.00 N ATOM 355 CA ARG A 27 4.755 6.742 1.460 1.00 0.00 C ATOM 356 C ARG A 27 3.956 6.002 0.392 1.00 0.00 C ATOM 357 O ARG A 27 4.341 5.971 -0.777 1.00 0.00 O ATOM 358 CB ARG A 27 4.648 8.252 1.238 1.00 0.00 C ATOM 359 CG ARG A 27 3.221 8.773 1.280 1.00 0.00 C ATOM 360 CD ARG A 27 3.150 10.236 0.872 1.00 0.00 C ATOM 361 NE ARG A 27 3.166 10.401 -0.579 1.00 0.00 N ATOM 362 CZ ARG A 27 2.987 11.568 -1.189 1.00 0.00 C ATOM 363 NH1 ARG A 27 2.780 12.666 -0.476 1.00 0.00 N ATOM 364 NH2 ARG A 27 3.015 11.637 -2.513 1.00 0.00 N ATOM 0 H ARG A 27 6.583 6.326 0.519 1.00 0.00 H new ATOM 0 HA ARG A 27 4.339 6.495 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.236 8.765 1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.089 8.501 0.273 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.595 8.178 0.615 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.819 8.655 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.242 10.682 1.277 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.991 10.775 1.307 1.00 0.00 H new ATOM 0 HE ARG A 27 3.323 9.575 -1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.758 12.616 0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.643 13.561 -0.946 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.174 10.794 -3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.877 12.533 -2.980 1.00 0.00 H new ATOM 378 N PHE A 28 2.841 5.406 0.801 1.00 0.00 N ATOM 379 CA PHE A 28 1.987 4.664 -0.119 1.00 0.00 C ATOM 380 C PHE A 28 0.517 5.001 0.111 1.00 0.00 C ATOM 381 O PHE A 28 -0.068 4.619 1.125 1.00 0.00 O ATOM 382 CB PHE A 28 2.209 3.159 0.045 1.00 0.00 C ATOM 383 CG PHE A 28 3.582 2.707 -0.365 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.056 2.961 -1.641 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.397 2.028 0.526 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.319 2.547 -2.022 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.660 1.612 0.151 1.00 0.00 C ATOM 388 CZ PHE A 28 6.121 1.871 -1.125 1.00 0.00 C ATOM 0 H PHE A 28 2.507 5.422 1.765 1.00 0.00 H new ATOM 0 HA PHE A 28 2.253 4.954 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.042 2.887 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.467 2.624 -0.547 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.432 3.489 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.041 1.822 1.525 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.677 2.752 -3.020 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.286 1.085 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.107 1.545 -1.420 1.00 0.00 H new ATOM 398 N VAL A 29 -0.075 5.719 -0.838 1.00 0.00 N ATOM 399 CA VAL A 29 -1.477 6.108 -0.740 1.00 0.00 C ATOM 400 C VAL A 29 -2.265 5.634 -1.956 1.00 0.00 C ATOM 401 O VAL A 29 -1.768 5.664 -3.082 1.00 0.00 O ATOM 402 CB VAL A 29 -1.628 7.635 -0.608 1.00 0.00 C ATOM 403 CG1 VAL A 29 -0.673 8.350 -1.551 1.00 0.00 C ATOM 404 CG2 VAL A 29 -3.067 8.053 -0.874 1.00 0.00 C ATOM 0 H VAL A 29 0.394 6.043 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.875 5.632 0.156 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.374 7.921 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.794 9.428 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.353 8.074 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.892 8.061 -2.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.156 9.135 -0.776 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.352 7.755 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.726 7.569 -0.153 1.00 0.00 H new ATOM 414 N VAL A 30 -3.498 5.195 -1.721 1.00 0.00 N ATOM 415 CA VAL A 30 -4.356 4.716 -2.798 1.00 0.00 C ATOM 416 C VAL A 30 -5.809 5.111 -2.559 1.00 0.00 C ATOM 417 O VAL A 30 -6.247 5.244 -1.417 1.00 0.00 O ATOM 418 CB VAL A 30 -4.270 3.185 -2.944 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.849 2.760 -3.281 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.754 2.500 -1.675 1.00 0.00 C ATOM 0 H VAL A 30 -3.924 5.161 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.002 5.182 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.919 2.879 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.808 1.675 -3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.544 3.222 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.176 3.077 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.686 1.419 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.133 2.810 -0.835 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.790 2.779 -1.483 1.00 0.00 H new ATOM 430 N GLU A 31 -6.552 5.298 -3.646 1.00 0.00 N ATOM 431 CA GLU A 31 -7.957 5.679 -3.554 1.00 0.00 C ATOM 432 C GLU A 31 -8.863 4.471 -3.769 1.00 0.00 C ATOM 433 O GLU A 31 -8.494 3.518 -4.457 1.00 0.00 O ATOM 434 CB GLU A 31 -8.282 6.765 -4.583 1.00 0.00 C ATOM 435 CG GLU A 31 -8.011 8.175 -4.086 1.00 0.00 C ATOM 436 CD GLU A 31 -6.543 8.421 -3.799 1.00 0.00 C ATOM 437 OE1 GLU A 31 -5.701 8.006 -4.622 1.00 0.00 O ATOM 438 OE2 GLU A 31 -6.236 9.027 -2.751 1.00 0.00 O ATOM 0 H GLU A 31 -6.205 5.192 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.136 6.072 -2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.695 6.587 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.332 6.684 -4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.356 8.891 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.589 8.354 -3.180 1.00 0.00 H new ATOM 445 N LEU A 32 -10.051 4.517 -3.176 1.00 0.00 N ATOM 446 CA LEU A 32 -11.012 3.427 -3.301 1.00 0.00 C ATOM 447 C LEU A 32 -12.345 3.935 -3.841 1.00 0.00 C ATOM 448 O LEU A 32 -13.027 4.727 -3.193 1.00 0.00 O ATOM 449 CB LEU A 32 -11.223 2.748 -1.947 1.00 0.00 C ATOM 450 CG LEU A 32 -9.954 2.361 -1.185 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.230 2.289 0.309 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.411 1.034 -1.694 1.00 0.00 C ATOM 0 H LEU A 32 -10.372 5.298 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.609 2.700 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.812 3.414 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.818 1.848 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.200 3.129 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.316 2.012 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.572 3.261 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.000 1.541 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.508 0.774 -1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.161 0.256 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.174 1.120 -2.755 1.00 0.00 H new ATOM 464 N ALA A 33 -12.710 3.471 -5.032 1.00 0.00 N ATOM 465 CA ALA A 33 -13.964 3.875 -5.657 1.00 0.00 C ATOM 466 C ALA A 33 -15.087 3.960 -4.630 1.00 0.00 C ATOM 467 O ALA A 33 -16.034 4.730 -4.793 1.00 0.00 O ATOM 468 CB ALA A 33 -14.335 2.906 -6.770 1.00 0.00 C ATOM 0 H ALA A 33 -12.156 2.816 -5.583 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.824 4.867 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.273 3.220 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.548 2.899 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.450 1.904 -6.357 1.00 0.00 H new ATOM 474 N ASP A 34 -14.977 3.163 -3.572 1.00 0.00 N ATOM 475 CA ASP A 34 -15.984 3.148 -2.518 1.00 0.00 C ATOM 476 C ASP A 34 -15.375 2.707 -1.191 1.00 0.00 C ATOM 477 O ASP A 34 -14.469 1.875 -1.142 1.00 0.00 O ATOM 478 CB ASP A 34 -17.138 2.219 -2.898 1.00 0.00 C ATOM 479 CG ASP A 34 -18.061 2.835 -3.931 1.00 0.00 C ATOM 480 OD1 ASP A 34 -18.192 4.077 -3.945 1.00 0.00 O ATOM 481 OD2 ASP A 34 -18.651 2.075 -4.727 1.00 0.00 O ATOM 0 H ASP A 34 -14.200 2.519 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.368 4.162 -2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.735 1.284 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.711 1.972 -2.004 1.00 0.00 H new ATOM 486 N PRO A 35 -15.882 3.277 -0.088 1.00 0.00 N ATOM 487 CA PRO A 35 -15.403 2.957 1.260 1.00 0.00 C ATOM 488 C PRO A 35 -15.787 1.547 1.693 1.00 0.00 C ATOM 489 O PRO A 35 -15.127 0.945 2.541 1.00 0.00 O ATOM 490 CB PRO A 35 -16.102 3.996 2.141 1.00 0.00 C ATOM 491 CG PRO A 35 -17.329 4.369 1.384 1.00 0.00 C ATOM 492 CD PRO A 35 -16.964 4.276 -0.071 1.00 0.00 C ATOM 0 HA PRO A 35 -14.315 2.987 1.323 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.350 3.583 3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.464 4.863 2.313 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.154 3.697 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.654 5.377 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.812 3.960 -0.679 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.630 5.236 -0.464 1.00 0.00 H new ATOM 500 N LYS A 36 -16.858 1.024 1.107 1.00 0.00 N ATOM 501 CA LYS A 36 -17.331 -0.317 1.430 1.00 0.00 C ATOM 502 C LYS A 36 -16.251 -1.357 1.146 1.00 0.00 C ATOM 503 O LYS A 36 -16.067 -2.301 1.916 1.00 0.00 O ATOM 504 CB LYS A 36 -18.592 -0.643 0.627 1.00 0.00 C ATOM 505 CG LYS A 36 -19.869 -0.120 1.261 1.00 0.00 C ATOM 506 CD LYS A 36 -21.094 -0.843 0.727 1.00 0.00 C ATOM 507 CE LYS A 36 -22.380 -0.159 1.165 1.00 0.00 C ATOM 508 NZ LYS A 36 -22.517 1.199 0.570 1.00 0.00 N ATOM 0 H LYS A 36 -17.416 1.509 0.404 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.568 -0.346 2.493 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.494 -0.222 -0.374 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.670 -1.724 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.816 -0.243 2.343 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -19.962 0.948 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -21.052 -0.878 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -21.091 -1.875 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -23.234 -0.771 0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.398 -0.083 2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -23.511 1.500 0.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.927 1.871 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -22.209 1.176 -0.423 1.00 0.00 H new ATOM 522 N LEU A 37 -15.540 -1.178 0.039 1.00 0.00 N ATOM 523 CA LEU A 37 -14.477 -2.100 -0.345 1.00 0.00 C ATOM 524 C LEU A 37 -13.385 -2.146 0.718 1.00 0.00 C ATOM 525 O LEU A 37 -13.089 -1.139 1.360 1.00 0.00 O ATOM 526 CB LEU A 37 -13.878 -1.687 -1.691 1.00 0.00 C ATOM 527 CG LEU A 37 -14.804 -1.803 -2.902 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.165 -1.166 -4.126 1.00 0.00 C ATOM 529 CD2 LEU A 37 -15.146 -3.261 -3.174 1.00 0.00 C ATOM 0 H LEU A 37 -15.680 -0.403 -0.609 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.910 -3.096 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.541 -0.653 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.994 -2.297 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.728 -1.269 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.839 -1.258 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.972 -0.112 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.225 -1.671 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.806 -3.325 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.231 -3.818 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.647 -3.686 -2.304 1.00 0.00 H new ATOM 541 N GLU A 38 -12.788 -3.320 0.896 1.00 0.00 N ATOM 542 CA GLU A 38 -11.727 -3.495 1.881 1.00 0.00 C ATOM 543 C GLU A 38 -10.353 -3.349 1.232 1.00 0.00 C ATOM 544 O GLU A 38 -10.215 -3.457 0.014 1.00 0.00 O ATOM 545 CB GLU A 38 -11.843 -4.866 2.551 1.00 0.00 C ATOM 546 CG GLU A 38 -10.922 -5.040 3.746 1.00 0.00 C ATOM 547 CD GLU A 38 -11.142 -3.984 4.811 1.00 0.00 C ATOM 548 OE1 GLU A 38 -12.198 -4.024 5.476 1.00 0.00 O ATOM 549 OE2 GLU A 38 -10.259 -3.117 4.979 1.00 0.00 O ATOM 0 H GLU A 38 -13.021 -4.163 0.372 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.837 -2.718 2.638 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.873 -5.018 2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.621 -5.640 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.080 -6.027 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.886 -5.001 3.410 1.00 0.00 H new ATOM 556 N VAL A 39 -9.339 -3.103 2.056 1.00 0.00 N ATOM 557 CA VAL A 39 -7.976 -2.942 1.565 1.00 0.00 C ATOM 558 C VAL A 39 -7.003 -3.819 2.346 1.00 0.00 C ATOM 559 O VAL A 39 -7.112 -3.953 3.565 1.00 0.00 O ATOM 560 CB VAL A 39 -7.516 -1.475 1.656 1.00 0.00 C ATOM 561 CG1 VAL A 39 -8.304 -0.606 0.688 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.656 -0.961 3.081 1.00 0.00 C ATOM 0 H VAL A 39 -9.436 -3.011 3.067 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.978 -3.250 0.519 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.464 -1.425 1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.965 0.427 0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.148 -0.962 -0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.365 -0.659 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.327 0.077 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.699 -1.025 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.042 -1.566 3.748 1.00 0.00 H new ATOM 572 N LYS A 40 -6.051 -4.414 1.635 1.00 0.00 N ATOM 573 CA LYS A 40 -5.056 -5.277 2.261 1.00 0.00 C ATOM 574 C LYS A 40 -3.682 -5.065 1.635 1.00 0.00 C ATOM 575 O LYS A 40 -3.528 -5.126 0.416 1.00 0.00 O ATOM 576 CB LYS A 40 -5.468 -6.745 2.126 1.00 0.00 C ATOM 577 CG LYS A 40 -6.399 -7.219 3.229 1.00 0.00 C ATOM 578 CD LYS A 40 -5.645 -7.485 4.520 1.00 0.00 C ATOM 579 CE LYS A 40 -6.595 -7.654 5.696 1.00 0.00 C ATOM 580 NZ LYS A 40 -7.434 -8.877 5.559 1.00 0.00 N ATOM 0 H LYS A 40 -5.948 -4.314 0.625 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.999 -5.017 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.957 -6.889 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.573 -7.367 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.169 -6.467 3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.908 -8.128 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.038 -8.383 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.961 -6.660 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.022 -7.709 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.239 -6.778 5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.068 -8.957 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.000 -8.814 4.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.820 -9.715 5.513 1.00 0.00 H new ATOM 594 N TRP A 41 -2.686 -4.816 2.478 1.00 0.00 N ATOM 595 CA TRP A 41 -1.323 -4.596 2.007 1.00 0.00 C ATOM 596 C TRP A 41 -0.479 -5.854 2.175 1.00 0.00 C ATOM 597 O TRP A 41 -0.496 -6.488 3.231 1.00 0.00 O ATOM 598 CB TRP A 41 -0.682 -3.432 2.764 1.00 0.00 C ATOM 599 CG TRP A 41 -1.400 -2.130 2.572 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.608 -1.775 3.100 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.955 -1.012 1.796 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.942 -0.504 2.698 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.944 -0.014 1.899 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.183 -0.757 1.026 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.827 1.217 1.259 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.297 0.466 0.391 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.703 1.441 0.512 1.00 0.00 C ATOM 0 H TRP A 41 -2.796 -4.761 3.491 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.367 -4.350 0.946 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.655 -3.670 3.827 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.352 -3.320 2.436 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.212 -2.401 3.740 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.795 -0.006 2.953 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.959 -1.502 0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.597 1.969 1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.171 0.674 -0.208 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.584 2.387 0.006 1.00 0.00 H new ATOM 618 N TYR A 42 0.258 -6.211 1.129 1.00 0.00 N ATOM 619 CA TYR A 42 1.107 -7.396 1.161 1.00 0.00 C ATOM 620 C TYR A 42 2.522 -7.064 0.699 1.00 0.00 C ATOM 621 O TYR A 42 2.732 -6.137 -0.084 1.00 0.00 O ATOM 622 CB TYR A 42 0.515 -8.497 0.279 1.00 0.00 C ATOM 623 CG TYR A 42 -0.861 -8.947 0.713 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.003 -8.308 0.245 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.020 -10.011 1.592 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.262 -8.715 0.640 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.276 -10.426 1.991 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.394 -9.775 1.513 1.00 0.00 C ATOM 629 OH TYR A 42 -4.647 -10.184 1.908 1.00 0.00 O ATOM 0 H TYR A 42 0.285 -5.697 0.249 1.00 0.00 H new ATOM 0 HA TYR A 42 1.154 -7.751 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.463 -8.139 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.187 -9.355 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.904 -7.479 -0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.147 -10.522 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.139 -8.206 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.382 -11.256 2.674 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.565 -10.943 2.523 1.00 0.00 H new ATOM 639 N LYS A 43 3.492 -7.829 1.189 1.00 0.00 N ATOM 640 CA LYS A 43 4.889 -7.620 0.827 1.00 0.00 C ATOM 641 C LYS A 43 5.560 -8.941 0.462 1.00 0.00 C ATOM 642 O LYS A 43 5.945 -9.715 1.337 1.00 0.00 O ATOM 643 CB LYS A 43 5.643 -6.956 1.981 1.00 0.00 C ATOM 644 CG LYS A 43 7.139 -6.841 1.744 1.00 0.00 C ATOM 645 CD LYS A 43 7.910 -6.821 3.053 1.00 0.00 C ATOM 646 CE LYS A 43 9.410 -6.735 2.815 1.00 0.00 C ATOM 647 NZ LYS A 43 10.187 -7.102 4.032 1.00 0.00 N ATOM 0 H LYS A 43 3.336 -8.600 1.838 1.00 0.00 H new ATOM 0 HA LYS A 43 4.918 -6.964 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.232 -5.960 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.471 -7.528 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.477 -7.679 1.134 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.351 -5.931 1.182 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.587 -5.971 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.682 -7.721 3.625 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.686 -7.397 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.672 -5.722 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.204 -7.031 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.943 -6.454 4.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.957 -8.077 4.310 1.00 0.00 H new ATOM 661 N ASN A 44 5.697 -9.191 -0.837 1.00 0.00 N ATOM 662 CA ASN A 44 6.322 -10.418 -1.317 1.00 0.00 C ATOM 663 C ASN A 44 5.476 -11.636 -0.959 1.00 0.00 C ATOM 664 O ASN A 44 5.994 -12.650 -0.494 1.00 0.00 O ATOM 665 CB ASN A 44 7.725 -10.565 -0.725 1.00 0.00 C ATOM 666 CG ASN A 44 8.613 -11.468 -1.559 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.260 -11.842 -2.678 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.772 -11.822 -1.017 1.00 0.00 N ATOM 0 H ASN A 44 5.384 -8.560 -1.575 1.00 0.00 H new ATOM 0 HA ASN A 44 6.397 -10.357 -2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.187 -9.581 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.650 -10.967 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.411 -12.428 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.023 -11.488 -0.087 1.00 0.00 H new ATOM 675 N GLY A 45 4.169 -11.528 -1.181 1.00 0.00 N ATOM 676 CA GLY A 45 3.272 -12.627 -0.877 1.00 0.00 C ATOM 677 C GLY A 45 3.118 -12.855 0.613 1.00 0.00 C ATOM 678 O GLY A 45 2.974 -13.991 1.062 1.00 0.00 O ATOM 0 H GLY A 45 3.716 -10.699 -1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.294 -12.425 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.647 -13.538 -1.344 1.00 0.00 H new ATOM 682 N GLN A 46 3.150 -11.771 1.382 1.00 0.00 N ATOM 683 CA GLN A 46 3.015 -11.859 2.831 1.00 0.00 C ATOM 684 C GLN A 46 2.154 -10.720 3.368 1.00 0.00 C ATOM 685 O GLN A 46 2.482 -9.547 3.195 1.00 0.00 O ATOM 686 CB GLN A 46 4.393 -11.829 3.496 1.00 0.00 C ATOM 687 CG GLN A 46 5.194 -13.105 3.293 1.00 0.00 C ATOM 688 CD GLN A 46 4.519 -14.320 3.897 1.00 0.00 C ATOM 689 OE1 GLN A 46 4.137 -15.250 3.186 1.00 0.00 O ATOM 690 NE2 GLN A 46 4.368 -14.319 5.216 1.00 0.00 N ATOM 0 H GLN A 46 3.268 -10.823 1.026 1.00 0.00 H new ATOM 0 HA GLN A 46 2.525 -12.804 3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.960 -10.987 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.268 -11.654 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.343 -13.270 2.226 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.182 -12.984 3.738 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.700 -13.527 5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.920 -15.110 5.679 1.00 0.00 H new ATOM 699 N GLU A 47 1.051 -11.075 4.020 1.00 0.00 N ATOM 700 CA GLU A 47 0.143 -10.082 4.581 1.00 0.00 C ATOM 701 C GLU A 47 0.875 -9.161 5.552 1.00 0.00 C ATOM 702 O GLU A 47 1.647 -9.619 6.395 1.00 0.00 O ATOM 703 CB GLU A 47 -1.023 -10.770 5.294 1.00 0.00 C ATOM 704 CG GLU A 47 -2.234 -9.872 5.485 1.00 0.00 C ATOM 705 CD GLU A 47 -3.456 -10.634 5.962 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.331 -11.401 6.940 1.00 0.00 O ATOM 707 OE2 GLU A 47 -4.535 -10.464 5.358 1.00 0.00 O ATOM 0 H GLU A 47 0.765 -12.042 4.172 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.247 -9.479 3.760 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.320 -11.649 4.722 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.685 -11.122 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.993 -9.091 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.465 -9.375 4.543 1.00 0.00 H new ATOM 714 N ILE A 48 0.629 -7.862 5.427 1.00 0.00 N ATOM 715 CA ILE A 48 1.264 -6.877 6.293 1.00 0.00 C ATOM 716 C ILE A 48 0.359 -6.509 7.464 1.00 0.00 C ATOM 717 O ILE A 48 -0.837 -6.275 7.287 1.00 0.00 O ATOM 718 CB ILE A 48 1.628 -5.597 5.518 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.551 -5.930 4.345 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.285 -4.585 6.446 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.628 -4.833 3.306 1.00 0.00 C ATOM 0 H ILE A 48 -0.006 -7.467 4.734 1.00 0.00 H new ATOM 0 HA ILE A 48 2.178 -7.334 6.673 1.00 0.00 H new ATOM 0 HB ILE A 48 0.713 -5.157 5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.553 -6.129 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.203 -6.847 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.537 -3.686 5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.596 -4.329 7.251 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.193 -5.015 6.868 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.300 -5.138 2.504 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.635 -4.649 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.005 -3.920 3.768 1.00 0.00 H new ATOM 733 N ARG A 49 0.937 -6.458 8.659 1.00 0.00 N ATOM 734 CA ARG A 49 0.183 -6.118 9.859 1.00 0.00 C ATOM 735 C ARG A 49 0.527 -4.710 10.337 1.00 0.00 C ATOM 736 O ARG A 49 1.667 -4.256 10.238 1.00 0.00 O ATOM 737 CB ARG A 49 0.469 -7.129 10.971 1.00 0.00 C ATOM 738 CG ARG A 49 -0.249 -8.456 10.787 1.00 0.00 C ATOM 739 CD ARG A 49 0.517 -9.599 11.436 1.00 0.00 C ATOM 740 NE ARG A 49 1.723 -9.943 10.689 1.00 0.00 N ATOM 741 CZ ARG A 49 2.424 -11.053 10.896 1.00 0.00 C ATOM 742 NH1 ARG A 49 2.040 -11.920 11.822 1.00 0.00 N ATOM 743 NH2 ARG A 49 3.511 -11.296 10.175 1.00 0.00 N ATOM 0 H ARG A 49 1.926 -6.648 8.822 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.878 -6.150 9.612 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.543 -7.310 11.018 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.176 -6.697 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.247 -8.394 11.220 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.375 -8.658 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.788 -9.321 12.455 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.128 -10.475 11.506 1.00 0.00 H new ATOM 0 HE ARG A 49 2.045 -9.296 9.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.205 -11.736 12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.580 -12.771 11.979 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.809 -10.631 9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.049 -12.148 10.334 1.00 0.00 H new ATOM 757 N PRO A 50 -0.482 -4.002 10.867 1.00 0.00 N ATOM 758 CA PRO A 50 -0.311 -2.636 11.371 1.00 0.00 C ATOM 759 C PRO A 50 0.524 -2.588 12.646 1.00 0.00 C ATOM 760 O PRO A 50 0.181 -3.217 13.647 1.00 0.00 O ATOM 761 CB PRO A 50 -1.744 -2.180 11.652 1.00 0.00 C ATOM 762 CG PRO A 50 -2.502 -3.439 11.895 1.00 0.00 C ATOM 763 CD PRO A 50 -1.866 -4.481 11.017 1.00 0.00 C ATOM 0 HA PRO A 50 0.221 -2.003 10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.786 -1.519 12.518 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.156 -1.627 10.808 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.451 -3.729 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.557 -3.313 11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.902 -5.469 11.476 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.371 -4.558 10.054 1.00 0.00 H new ATOM 771 N SER A 51 1.621 -1.839 12.603 1.00 0.00 N ATOM 772 CA SER A 51 2.506 -1.712 13.754 1.00 0.00 C ATOM 773 C SER A 51 3.332 -0.432 13.666 1.00 0.00 C ATOM 774 O SER A 51 3.174 0.361 12.737 1.00 0.00 O ATOM 775 CB SER A 51 3.433 -2.925 13.848 1.00 0.00 C ATOM 776 OG SER A 51 3.787 -3.194 15.193 1.00 0.00 O ATOM 0 H SER A 51 1.918 -1.311 11.783 1.00 0.00 H new ATOM 0 HA SER A 51 1.889 -1.665 14.651 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.941 -3.797 13.417 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.333 -2.745 13.261 1.00 0.00 H new ATOM 0 HG SER A 51 4.378 -3.975 15.226 1.00 0.00 H new ATOM 782 N THR A 52 4.215 -0.237 14.641 1.00 0.00 N ATOM 783 CA THR A 52 5.066 0.946 14.676 1.00 0.00 C ATOM 784 C THR A 52 5.795 1.138 13.351 1.00 0.00 C ATOM 785 O THR A 52 6.233 2.241 13.025 1.00 0.00 O ATOM 786 CB THR A 52 6.103 0.859 15.811 1.00 0.00 C ATOM 787 OG1 THR A 52 7.096 1.877 15.647 1.00 0.00 O ATOM 788 CG2 THR A 52 6.769 -0.509 15.832 1.00 0.00 C ATOM 0 H THR A 52 4.359 -0.883 15.417 1.00 0.00 H new ATOM 0 HA THR A 52 4.413 1.800 14.856 1.00 0.00 H new ATOM 0 HB THR A 52 5.585 1.008 16.759 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.751 1.816 16.374 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.497 -0.547 16.642 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.013 -1.279 15.987 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.274 -0.683 14.882 1.00 0.00 H new ATOM 796 N LYS A 53 5.921 0.057 12.588 1.00 0.00 N ATOM 797 CA LYS A 53 6.596 0.106 11.297 1.00 0.00 C ATOM 798 C LYS A 53 5.622 0.494 10.189 1.00 0.00 C ATOM 799 O LYS A 53 5.923 1.350 9.357 1.00 0.00 O ATOM 800 CB LYS A 53 7.232 -1.249 10.979 1.00 0.00 C ATOM 801 CG LYS A 53 8.482 -1.148 10.121 1.00 0.00 C ATOM 802 CD LYS A 53 9.124 -2.509 9.909 1.00 0.00 C ATOM 803 CE LYS A 53 8.531 -3.223 8.704 1.00 0.00 C ATOM 804 NZ LYS A 53 9.167 -4.551 8.478 1.00 0.00 N ATOM 0 H LYS A 53 5.564 -0.864 12.842 1.00 0.00 H new ATOM 0 HA LYS A 53 7.378 0.864 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.482 -1.752 11.913 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.500 -1.874 10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.227 -0.710 9.156 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.198 -0.477 10.596 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.198 -2.388 9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.985 -3.121 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.459 -3.354 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.658 -2.604 7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.736 -5.006 7.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.186 -4.424 8.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.024 -5.151 9.315 1.00 0.00 H new ATOM 818 N TYR A 54 4.455 -0.140 10.184 1.00 0.00 N ATOM 819 CA TYR A 54 3.437 0.139 9.178 1.00 0.00 C ATOM 820 C TYR A 54 2.355 1.058 9.737 1.00 0.00 C ATOM 821 O TYR A 54 1.666 0.712 10.697 1.00 0.00 O ATOM 822 CB TYR A 54 2.809 -1.165 8.683 1.00 0.00 C ATOM 823 CG TYR A 54 3.793 -2.093 8.008 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.222 -1.855 6.708 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.292 -3.209 8.668 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.120 -2.701 6.086 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.191 -4.059 8.055 1.00 0.00 C ATOM 828 CZ TYR A 54 5.602 -3.801 6.764 1.00 0.00 C ATOM 829 OH TYR A 54 6.497 -4.646 6.149 1.00 0.00 O ATOM 0 H TYR A 54 4.190 -0.851 10.866 1.00 0.00 H new ATOM 0 HA TYR A 54 3.919 0.644 8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.355 -1.683 9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.006 -0.930 7.984 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.847 -0.994 6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.971 -3.415 9.678 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.443 -2.502 5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.570 -4.921 8.584 1.00 0.00 H new ATOM 0 HH TYR A 54 6.738 -5.370 6.763 1.00 0.00 H new ATOM 839 N ILE A 55 2.212 2.231 9.129 1.00 0.00 N ATOM 840 CA ILE A 55 1.214 3.199 9.563 1.00 0.00 C ATOM 841 C ILE A 55 -0.007 3.178 8.650 1.00 0.00 C ATOM 842 O ILE A 55 0.040 3.666 7.521 1.00 0.00 O ATOM 843 CB ILE A 55 1.791 4.627 9.596 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.218 4.611 10.148 1.00 0.00 C ATOM 845 CG2 ILE A 55 0.905 5.538 10.432 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.287 4.369 11.639 1.00 0.00 C ATOM 0 H ILE A 55 2.775 2.533 8.334 1.00 0.00 H new ATOM 0 HA ILE A 55 0.916 2.913 10.571 1.00 0.00 H new ATOM 0 HB ILE A 55 1.819 5.015 8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.788 3.836 9.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.698 5.563 9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.326 6.543 10.445 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.095 5.570 10.000 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.848 5.155 11.451 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.329 4.371 11.960 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.745 5.158 12.161 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.837 3.404 11.872 1.00 0.00 H new ATOM 858 N PHE A 56 -1.101 2.610 9.147 1.00 0.00 N ATOM 859 CA PHE A 56 -2.336 2.525 8.377 1.00 0.00 C ATOM 860 C PHE A 56 -3.246 3.712 8.676 1.00 0.00 C ATOM 861 O PHE A 56 -3.718 3.878 9.801 1.00 0.00 O ATOM 862 CB PHE A 56 -3.067 1.217 8.687 1.00 0.00 C ATOM 863 CG PHE A 56 -2.384 0.002 8.126 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.185 -0.444 8.658 1.00 0.00 C ATOM 865 CD2 PHE A 56 -2.942 -0.694 7.065 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.555 -1.561 8.144 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.317 -1.813 6.548 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.121 -2.246 7.087 1.00 0.00 C ATOM 0 H PHE A 56 -1.157 2.202 10.080 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.077 2.546 7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.157 1.107 9.768 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.080 1.272 8.287 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.737 0.088 9.485 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.875 -0.358 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.379 -1.898 8.568 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.763 -2.349 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.630 -3.119 6.682 1.00 0.00 H new ATOM 878 N GLU A 57 -3.488 4.536 7.661 1.00 0.00 N ATOM 879 CA GLU A 57 -4.340 5.709 7.816 1.00 0.00 C ATOM 880 C GLU A 57 -5.476 5.695 6.798 1.00 0.00 C ATOM 881 O GLU A 57 -5.360 5.092 5.730 1.00 0.00 O ATOM 882 CB GLU A 57 -3.517 6.989 7.661 1.00 0.00 C ATOM 883 CG GLU A 57 -2.441 7.154 8.721 1.00 0.00 C ATOM 884 CD GLU A 57 -2.987 7.695 10.028 1.00 0.00 C ATOM 885 OE1 GLU A 57 -3.446 8.856 10.043 1.00 0.00 O ATOM 886 OE2 GLU A 57 -2.957 6.957 11.035 1.00 0.00 O ATOM 0 H GLU A 57 -3.106 4.413 6.723 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.772 5.683 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -3.049 6.993 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.187 7.848 7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.964 6.191 8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.669 7.827 8.348 1.00 0.00 H new ATOM 893 N HIS A 58 -6.575 6.362 7.136 1.00 0.00 N ATOM 894 CA HIS A 58 -7.733 6.426 6.251 1.00 0.00 C ATOM 895 C HIS A 58 -8.312 7.837 6.216 1.00 0.00 C ATOM 896 O HIS A 58 -8.773 8.356 7.234 1.00 0.00 O ATOM 897 CB HIS A 58 -8.804 5.434 6.705 1.00 0.00 C ATOM 898 CG HIS A 58 -9.756 5.999 7.714 1.00 0.00 C ATOM 899 ND1 HIS A 58 -9.538 5.933 9.074 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.934 6.645 7.554 1.00 0.00 C ATOM 901 CE1 HIS A 58 -10.542 6.512 9.707 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.403 6.953 8.807 1.00 0.00 N ATOM 0 H HIS A 58 -6.688 6.866 8.016 1.00 0.00 H new ATOM 0 HA HIS A 58 -7.406 6.161 5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -9.368 5.097 5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -8.317 4.556 7.129 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -11.416 6.875 6.615 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.642 6.609 10.778 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -12.274 7.443 9.010 1.00 0.00 H new ATOM 911 N LYS A 59 -8.286 8.454 5.040 1.00 0.00 N ATOM 912 CA LYS A 59 -8.808 9.804 4.871 1.00 0.00 C ATOM 913 C LYS A 59 -9.769 9.872 3.689 1.00 0.00 C ATOM 914 O LYS A 59 -9.373 10.206 2.573 1.00 0.00 O ATOM 915 CB LYS A 59 -7.660 10.796 4.666 1.00 0.00 C ATOM 916 CG LYS A 59 -6.750 10.930 5.874 1.00 0.00 C ATOM 917 CD LYS A 59 -5.841 12.141 5.756 1.00 0.00 C ATOM 918 CE LYS A 59 -4.737 12.115 6.803 1.00 0.00 C ATOM 919 NZ LYS A 59 -5.161 12.771 8.071 1.00 0.00 N ATOM 0 H LYS A 59 -7.908 8.039 4.188 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.353 10.071 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.067 10.480 3.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.075 11.774 4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.354 11.014 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.145 10.029 5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.399 12.169 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.430 13.051 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.453 11.082 7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.853 12.618 6.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.382 12.733 8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.408 13.763 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.989 12.275 8.458 1.00 0.00 H new ATOM 933 N GLY A 60 -11.035 9.554 3.942 1.00 0.00 N ATOM 934 CA GLY A 60 -12.033 9.587 2.888 1.00 0.00 C ATOM 935 C GLY A 60 -11.604 8.811 1.659 1.00 0.00 C ATOM 936 O GLY A 60 -10.839 9.314 0.835 1.00 0.00 O ATOM 0 H GLY A 60 -11.387 9.274 4.857 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.969 9.175 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.229 10.623 2.610 1.00 0.00 H new ATOM 940 N CYS A 61 -12.096 7.583 1.535 1.00 0.00 N ATOM 941 CA CYS A 61 -11.756 6.735 0.398 1.00 0.00 C ATOM 942 C CYS A 61 -10.279 6.869 0.041 1.00 0.00 C ATOM 943 O CYS A 61 -9.917 6.920 -1.134 1.00 0.00 O ATOM 944 CB CYS A 61 -12.620 7.098 -0.811 1.00 0.00 C ATOM 945 SG CYS A 61 -14.393 6.862 -0.549 1.00 0.00 S ATOM 0 H CYS A 61 -12.731 7.153 2.207 1.00 0.00 H new ATOM 0 HA CYS A 61 -11.951 5.700 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.438 8.140 -1.074 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.306 6.495 -1.663 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.039 7.197 -1.626 1.00 0.00 H new ATOM 951 N GLN A 62 -9.432 6.926 1.064 1.00 0.00 N ATOM 952 CA GLN A 62 -7.994 7.056 0.858 1.00 0.00 C ATOM 953 C GLN A 62 -7.220 6.329 1.952 1.00 0.00 C ATOM 954 O GLN A 62 -7.179 6.776 3.099 1.00 0.00 O ATOM 955 CB GLN A 62 -7.594 8.532 0.828 1.00 0.00 C ATOM 956 CG GLN A 62 -6.193 8.771 0.288 1.00 0.00 C ATOM 957 CD GLN A 62 -5.908 10.238 0.034 1.00 0.00 C ATOM 958 OE1 GLN A 62 -5.575 10.634 -1.083 1.00 0.00 O ATOM 959 NE2 GLN A 62 -6.038 11.055 1.073 1.00 0.00 N ATOM 0 H GLN A 62 -9.716 6.884 2.043 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.746 6.600 -0.101 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.309 9.081 0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.660 8.938 1.837 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.463 8.380 0.997 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.066 8.214 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.316 10.684 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.860 12.053 0.962 1.00 0.00 H new ATOM 968 N ARG A 63 -6.607 5.207 1.590 1.00 0.00 N ATOM 969 CA ARG A 63 -5.835 4.417 2.542 1.00 0.00 C ATOM 970 C ARG A 63 -4.338 4.639 2.344 1.00 0.00 C ATOM 971 O ARG A 63 -3.779 4.281 1.307 1.00 0.00 O ATOM 972 CB ARG A 63 -6.165 2.931 2.390 1.00 0.00 C ATOM 973 CG ARG A 63 -7.522 2.547 2.959 1.00 0.00 C ATOM 974 CD ARG A 63 -7.436 2.238 4.445 1.00 0.00 C ATOM 975 NE ARG A 63 -8.756 2.112 5.056 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.955 2.020 6.366 1.00 0.00 C ATOM 977 NH1 ARG A 63 -7.924 2.041 7.199 1.00 0.00 N ATOM 978 NH2 ARG A 63 -10.187 1.908 6.845 1.00 0.00 N ATOM 0 H ARG A 63 -6.630 4.824 0.645 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.104 4.741 3.547 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.136 2.667 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.393 2.343 2.886 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.229 3.360 2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.908 1.677 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.879 1.312 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.878 3.028 4.948 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.571 2.094 4.443 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.975 2.128 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.079 1.970 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.983 1.892 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.339 1.837 7.851 1.00 0.00 H new ATOM 992 N ILE A 64 -3.696 5.231 3.345 1.00 0.00 N ATOM 993 CA ILE A 64 -2.265 5.500 3.282 1.00 0.00 C ATOM 994 C ILE A 64 -1.476 4.469 4.081 1.00 0.00 C ATOM 995 O ILE A 64 -1.991 3.876 5.030 1.00 0.00 O ATOM 996 CB ILE A 64 -1.932 6.908 3.811 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.868 7.945 3.187 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.480 7.254 3.519 1.00 0.00 C ATOM 999 CD1 ILE A 64 -4.154 8.141 3.960 1.00 0.00 C ATOM 0 H ILE A 64 -4.144 5.534 4.210 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.979 5.439 2.232 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.077 6.918 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.346 8.899 3.118 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.109 7.639 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.260 8.252 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.172 6.529 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.310 7.230 2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.768 8.890 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.698 7.198 4.007 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.923 8.477 4.971 1.00 0.00 H new ATOM 1011 N LEU A 65 -0.222 4.261 3.694 1.00 0.00 N ATOM 1012 CA LEU A 65 0.641 3.303 4.376 1.00 0.00 C ATOM 1013 C LEU A 65 2.082 3.802 4.419 1.00 0.00 C ATOM 1014 O LEU A 65 2.663 4.142 3.388 1.00 0.00 O ATOM 1015 CB LEU A 65 0.580 1.944 3.676 1.00 0.00 C ATOM 1016 CG LEU A 65 1.272 0.787 4.396 1.00 0.00 C ATOM 1017 CD1 LEU A 65 2.734 1.116 4.655 1.00 0.00 C ATOM 1018 CD2 LEU A 65 0.556 0.466 5.700 1.00 0.00 C ATOM 0 H LEU A 65 0.220 4.743 2.911 1.00 0.00 H new ATOM 0 HA LEU A 65 0.284 3.194 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.467 1.680 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.024 2.047 2.686 1.00 0.00 H new ATOM 0 HG LEU A 65 1.228 -0.093 3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.210 0.280 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.240 1.295 3.706 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.801 2.009 5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.062 -0.360 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.568 1.343 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.476 0.185 5.489 1.00 0.00 H new ATOM 1030 N PHE A 66 2.653 3.841 5.618 1.00 0.00 N ATOM 1031 CA PHE A 66 4.027 4.297 5.796 1.00 0.00 C ATOM 1032 C PHE A 66 4.882 3.209 6.438 1.00 0.00 C ATOM 1033 O PHE A 66 4.469 2.570 7.406 1.00 0.00 O ATOM 1034 CB PHE A 66 4.059 5.562 6.657 1.00 0.00 C ATOM 1035 CG PHE A 66 3.425 6.752 5.997 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.174 7.595 5.191 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.080 7.029 6.182 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.592 8.692 4.583 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.493 8.124 5.577 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.250 8.956 4.775 1.00 0.00 C ATOM 0 H PHE A 66 2.186 3.562 6.481 1.00 0.00 H new ATOM 0 HA PHE A 66 4.439 4.525 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.548 5.364 7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.094 5.800 6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.224 7.393 5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.483 6.381 6.807 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.187 9.342 3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.444 8.329 5.731 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.793 9.811 4.299 1.00 0.00 H new ATOM 1050 N ILE A 67 6.076 3.004 5.892 1.00 0.00 N ATOM 1051 CA ILE A 67 6.990 1.994 6.411 1.00 0.00 C ATOM 1052 C ILE A 67 8.280 2.629 6.917 1.00 0.00 C ATOM 1053 O ILE A 67 9.019 3.251 6.155 1.00 0.00 O ATOM 1054 CB ILE A 67 7.334 0.942 5.340 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.055 0.338 4.757 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.219 -0.146 5.931 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.282 -0.444 3.482 1.00 0.00 C ATOM 0 H ILE A 67 6.433 3.524 5.090 1.00 0.00 H new ATOM 0 HA ILE A 67 6.480 1.503 7.240 1.00 0.00 H new ATOM 0 HB ILE A 67 7.882 1.431 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.601 -0.318 5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.342 1.138 4.560 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.453 -0.882 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.143 0.298 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.695 -0.634 6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.332 -0.843 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.707 0.213 2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.971 -1.266 3.677 1.00 0.00 H new ATOM 1069 N ASN A 68 8.546 2.465 8.209 1.00 0.00 N ATOM 1070 CA ASN A 68 9.749 3.022 8.818 1.00 0.00 C ATOM 1071 C ASN A 68 10.899 2.021 8.764 1.00 0.00 C ATOM 1072 O ASN A 68 10.684 0.822 8.589 1.00 0.00 O ATOM 1073 CB ASN A 68 9.473 3.421 10.270 1.00 0.00 C ATOM 1074 CG ASN A 68 8.747 4.747 10.376 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.319 5.804 10.111 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.478 4.697 10.766 1.00 0.00 N ATOM 0 H ASN A 68 7.945 1.951 8.854 1.00 0.00 H new ATOM 0 HA ASN A 68 10.035 3.909 8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 68 8.878 2.644 10.751 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.416 3.482 10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.938 5.558 10.856 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.044 3.798 10.975 1.00 0.00 H new ATOM 1083 N ASN A 69 12.120 2.522 8.917 1.00 0.00 N ATOM 1084 CA ASN A 69 13.305 1.672 8.885 1.00 0.00 C ATOM 1085 C ASN A 69 13.451 0.992 7.527 1.00 0.00 C ATOM 1086 O ASN A 69 13.603 -0.228 7.445 1.00 0.00 O ATOM 1087 CB ASN A 69 13.231 0.617 9.991 1.00 0.00 C ATOM 1088 CG ASN A 69 13.335 1.224 11.377 1.00 0.00 C ATOM 1089 OD1 ASN A 69 14.318 1.889 11.703 1.00 0.00 O ATOM 1090 ND2 ASN A 69 12.318 0.997 12.200 1.00 0.00 N ATOM 0 H ASN A 69 12.315 3.512 9.064 1.00 0.00 H new ATOM 0 HA ASN A 69 14.178 2.303 9.051 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.292 0.071 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.034 -0.107 9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.332 1.380 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.523 0.440 11.887 1.00 0.00 H new ATOM 1097 N CYS A 70 13.404 1.788 6.465 1.00 0.00 N ATOM 1098 CA CYS A 70 13.530 1.263 5.110 1.00 0.00 C ATOM 1099 C CYS A 70 14.950 0.772 4.847 1.00 0.00 C ATOM 1100 O CYS A 70 15.853 1.566 4.587 1.00 0.00 O ATOM 1101 CB CYS A 70 13.152 2.336 4.088 1.00 0.00 C ATOM 1102 SG CYS A 70 11.439 2.903 4.212 1.00 0.00 S ATOM 0 H CYS A 70 13.280 2.799 6.516 1.00 0.00 H new ATOM 0 HA CYS A 70 12.848 0.419 5.009 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.816 3.191 4.212 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.322 1.944 3.085 1.00 0.00 H new ATOM 0 HG CYS A 70 11.014 2.737 5.429 1.00 0.00 H new ATOM 1108 N GLN A 71 15.138 -0.542 4.919 1.00 0.00 N ATOM 1109 CA GLN A 71 16.449 -1.139 4.692 1.00 0.00 C ATOM 1110 C GLN A 71 16.498 -1.848 3.343 1.00 0.00 C ATOM 1111 O GLN A 71 15.462 -2.182 2.769 1.00 0.00 O ATOM 1112 CB GLN A 71 16.786 -2.125 5.812 1.00 0.00 C ATOM 1113 CG GLN A 71 18.273 -2.219 6.113 1.00 0.00 C ATOM 1114 CD GLN A 71 18.698 -1.300 7.242 1.00 0.00 C ATOM 1115 OE1 GLN A 71 19.392 -1.718 8.170 1.00 0.00 O ATOM 1116 NE2 GLN A 71 18.285 -0.040 7.168 1.00 0.00 N ATOM 0 H GLN A 71 14.400 -1.213 5.133 1.00 0.00 H new ATOM 0 HA GLN A 71 17.188 -0.338 4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.259 -1.827 6.718 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.416 -3.113 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.523 -3.248 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.838 -1.971 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 71 17.711 0.263 6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 71 18.541 0.624 7.898 1.00 0.00 H new ATOM 1125 N MET A 72 17.708 -2.074 2.842 1.00 0.00 N ATOM 1126 CA MET A 72 17.891 -2.745 1.560 1.00 0.00 C ATOM 1127 C MET A 72 16.947 -3.936 1.430 1.00 0.00 C ATOM 1128 O MET A 72 16.368 -4.171 0.369 1.00 0.00 O ATOM 1129 CB MET A 72 19.340 -3.208 1.404 1.00 0.00 C ATOM 1130 CG MET A 72 19.808 -3.266 -0.041 1.00 0.00 C ATOM 1131 SD MET A 72 20.527 -1.710 -0.602 1.00 0.00 S ATOM 1132 CE MET A 72 19.446 -1.313 -1.974 1.00 0.00 C ATOM 0 H MET A 72 18.576 -1.803 3.304 1.00 0.00 H new ATOM 0 HA MET A 72 17.659 -2.032 0.769 1.00 0.00 H new ATOM 0 HB2 MET A 72 19.990 -2.533 1.961 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.447 -4.196 1.852 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.545 -4.062 -0.148 1.00 0.00 H new ATOM 0 HG3 MET A 72 18.965 -3.524 -0.682 1.00 0.00 H new ATOM 0 HE1 MET A 72 19.707 -0.332 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 72 19.561 -2.063 -2.757 1.00 0.00 H new ATOM 0 HE3 MET A 72 18.411 -1.302 -1.631 1.00 0.00 H new ATOM 1142 N THR A 73 16.797 -4.687 2.516 1.00 0.00 N ATOM 1143 CA THR A 73 15.925 -5.855 2.523 1.00 0.00 C ATOM 1144 C THR A 73 14.472 -5.458 2.292 1.00 0.00 C ATOM 1145 O THR A 73 13.725 -6.165 1.614 1.00 0.00 O ATOM 1146 CB THR A 73 16.029 -6.626 3.853 1.00 0.00 C ATOM 1147 OG1 THR A 73 15.816 -5.735 4.954 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.391 -7.290 3.988 1.00 0.00 C ATOM 0 H THR A 73 17.268 -4.507 3.403 1.00 0.00 H new ATOM 0 HA THR A 73 16.256 -6.501 1.710 1.00 0.00 H new ATOM 0 HB THR A 73 15.262 -7.401 3.859 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.882 -6.233 5.795 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.441 -7.828 4.934 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.538 -7.989 3.165 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.171 -6.529 3.962 1.00 0.00 H new ATOM 1156 N ASP A 74 14.076 -4.324 2.858 1.00 0.00 N ATOM 1157 CA ASP A 74 12.711 -3.831 2.712 1.00 0.00 C ATOM 1158 C ASP A 74 12.312 -3.767 1.241 1.00 0.00 C ATOM 1159 O ASP A 74 11.208 -4.166 0.870 1.00 0.00 O ATOM 1160 CB ASP A 74 12.574 -2.449 3.352 1.00 0.00 C ATOM 1161 CG ASP A 74 11.177 -2.192 3.882 1.00 0.00 C ATOM 1162 OD1 ASP A 74 10.553 -3.145 4.395 1.00 0.00 O ATOM 1163 OD2 ASP A 74 10.708 -1.039 3.785 1.00 0.00 O ATOM 0 H ASP A 74 14.681 -3.728 3.423 1.00 0.00 H new ATOM 0 HA ASP A 74 12.043 -4.526 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.291 -2.357 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.827 -1.685 2.617 1.00 0.00 H new ATOM 1168 N ASP A 75 13.216 -3.261 0.409 1.00 0.00 N ATOM 1169 CA ASP A 75 12.957 -3.145 -1.021 1.00 0.00 C ATOM 1170 C ASP A 75 12.331 -4.424 -1.566 1.00 0.00 C ATOM 1171 O ASP A 75 13.035 -5.342 -1.986 1.00 0.00 O ATOM 1172 CB ASP A 75 14.254 -2.837 -1.772 1.00 0.00 C ATOM 1173 CG ASP A 75 14.250 -3.388 -3.184 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.161 -3.455 -3.791 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.336 -3.753 -3.682 1.00 0.00 O ATOM 0 H ASP A 75 14.134 -2.925 0.700 1.00 0.00 H new ATOM 0 HA ASP A 75 12.254 -2.325 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.403 -1.758 -1.807 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.097 -3.258 -1.223 1.00 0.00 H new ATOM 1180 N SER A 76 11.003 -4.478 -1.556 1.00 0.00 N ATOM 1181 CA SER A 76 10.281 -5.647 -2.045 1.00 0.00 C ATOM 1182 C SER A 76 9.093 -5.231 -2.906 1.00 0.00 C ATOM 1183 O SER A 76 8.777 -4.047 -3.015 1.00 0.00 O ATOM 1184 CB SER A 76 9.800 -6.503 -0.872 1.00 0.00 C ATOM 1185 OG SER A 76 9.683 -7.864 -1.247 1.00 0.00 O ATOM 0 H SER A 76 10.405 -3.726 -1.215 1.00 0.00 H new ATOM 0 HA SER A 76 10.964 -6.235 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.498 -6.411 -0.040 1.00 0.00 H new ATOM 0 HB3 SER A 76 8.836 -6.135 -0.521 1.00 0.00 H new ATOM 0 HG SER A 76 10.148 -8.425 -0.591 1.00 0.00 H new ATOM 1191 N GLU A 77 8.439 -6.214 -3.517 1.00 0.00 N ATOM 1192 CA GLU A 77 7.287 -5.950 -4.370 1.00 0.00 C ATOM 1193 C GLU A 77 5.999 -5.918 -3.551 1.00 0.00 C ATOM 1194 O GLU A 77 5.513 -6.955 -3.097 1.00 0.00 O ATOM 1195 CB GLU A 77 7.181 -7.013 -5.465 1.00 0.00 C ATOM 1196 CG GLU A 77 6.114 -6.712 -6.505 1.00 0.00 C ATOM 1197 CD GLU A 77 5.560 -7.966 -7.153 1.00 0.00 C ATOM 1198 OE1 GLU A 77 6.226 -8.507 -8.061 1.00 0.00 O ATOM 1199 OE2 GLU A 77 4.462 -8.407 -6.753 1.00 0.00 O ATOM 0 H GLU A 77 8.688 -7.200 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 77 7.427 -4.973 -4.834 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.146 -7.107 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.965 -7.977 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.300 -6.160 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.535 -6.065 -7.275 1.00 0.00 H new ATOM 1206 N TYR A 78 5.453 -4.722 -3.365 1.00 0.00 N ATOM 1207 CA TYR A 78 4.225 -4.553 -2.598 1.00 0.00 C ATOM 1208 C TYR A 78 3.012 -4.477 -3.521 1.00 0.00 C ATOM 1209 O TYR A 78 3.119 -4.048 -4.670 1.00 0.00 O ATOM 1210 CB TYR A 78 4.305 -3.291 -1.738 1.00 0.00 C ATOM 1211 CG TYR A 78 5.547 -3.221 -0.879 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.756 -2.782 -1.407 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.513 -3.594 0.458 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.894 -2.717 -0.627 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.646 -3.531 1.246 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.834 -3.092 0.699 1.00 0.00 C ATOM 1217 OH TYR A 78 8.965 -3.029 1.481 1.00 0.00 O ATOM 0 H TYR A 78 5.842 -3.855 -3.735 1.00 0.00 H new ATOM 0 HA TYR A 78 4.111 -5.421 -1.948 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.273 -2.416 -2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.426 -3.243 -1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.806 -2.487 -2.445 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.585 -3.939 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.826 -2.375 -1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.602 -3.824 2.285 1.00 0.00 H new ATOM 0 HH TYR A 78 9.688 -3.532 1.051 1.00 0.00 H new ATOM 1227 N TYR A 79 1.860 -4.896 -3.009 1.00 0.00 N ATOM 1228 CA TYR A 79 0.627 -4.878 -3.787 1.00 0.00 C ATOM 1229 C TYR A 79 -0.594 -4.875 -2.872 1.00 0.00 C ATOM 1230 O TYR A 79 -0.659 -5.629 -1.901 1.00 0.00 O ATOM 1231 CB TYR A 79 0.572 -6.086 -4.724 1.00 0.00 C ATOM 1232 CG TYR A 79 0.344 -7.398 -4.008 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.390 -8.059 -3.376 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -0.919 -7.976 -3.963 1.00 0.00 C ATOM 1235 CE1 TYR A 79 1.185 -9.258 -2.722 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.133 -9.174 -3.310 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.078 -9.812 -2.691 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.286 -11.005 -2.039 1.00 0.00 O ATOM 0 H TYR A 79 1.754 -5.252 -2.059 1.00 0.00 H new ATOM 0 HA TYR A 79 0.616 -3.965 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.226 -5.935 -5.451 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.506 -6.144 -5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.380 -7.628 -3.397 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.747 -7.480 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.010 -9.759 -2.237 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.121 -9.609 -3.284 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.488 -10.831 -1.096 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.561 -4.019 -3.189 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.781 -3.917 -2.398 1.00 0.00 C ATOM 1250 C VAL A 80 -3.974 -4.494 -3.152 1.00 0.00 C ATOM 1251 O VAL A 80 -4.045 -4.418 -4.379 1.00 0.00 O ATOM 1252 CB VAL A 80 -3.085 -2.455 -2.021 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.296 -1.614 -3.271 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.299 -2.382 -1.107 1.00 0.00 C ATOM 0 H VAL A 80 -1.523 -3.386 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.617 -4.493 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.228 -2.051 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.510 -0.584 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.395 -1.641 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.135 -2.014 -3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.499 -1.342 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.165 -2.803 -1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.104 -2.949 -0.197 1.00 0.00 H new ATOM 1264 N THR A 81 -4.913 -5.073 -2.409 1.00 0.00 N ATOM 1265 CA THR A 81 -6.104 -5.664 -3.006 1.00 0.00 C ATOM 1266 C THR A 81 -7.372 -5.031 -2.445 1.00 0.00 C ATOM 1267 O THR A 81 -7.490 -4.819 -1.239 1.00 0.00 O ATOM 1268 CB THR A 81 -6.155 -7.185 -2.769 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.214 -7.461 -1.365 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.937 -7.868 -3.374 1.00 0.00 C ATOM 0 H THR A 81 -4.871 -5.145 -1.392 1.00 0.00 H new ATOM 0 HA THR A 81 -6.049 -5.472 -4.078 1.00 0.00 H new ATOM 0 HB THR A 81 -7.050 -7.576 -3.253 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.248 -8.430 -1.223 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.995 -8.941 -3.194 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.911 -7.681 -4.447 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.032 -7.471 -2.914 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.319 -4.732 -3.329 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.580 -4.126 -2.921 1.00 0.00 C ATOM 1280 C ALA A 82 -10.718 -4.555 -3.841 1.00 0.00 C ATOM 1281 O ALA A 82 -10.780 -4.146 -5.000 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.455 -2.610 -2.903 1.00 0.00 C ATOM 0 H ALA A 82 -8.236 -4.900 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.813 -4.472 -1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.404 -2.170 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.676 -2.318 -2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.196 -2.254 -3.900 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.618 -5.381 -3.316 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.741 -5.852 -4.105 1.00 0.00 C ATOM 1290 C GLY A 83 -12.336 -6.901 -5.122 1.00 0.00 C ATOM 1291 O GLY A 83 -11.985 -8.024 -4.759 1.00 0.00 O ATOM 0 H GLY A 83 -11.589 -5.732 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.499 -6.268 -3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.198 -5.008 -4.621 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.387 -6.536 -6.398 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.023 -7.454 -7.471 1.00 0.00 C ATOM 1297 C ASP A 84 -10.848 -6.909 -8.277 1.00 0.00 C ATOM 1298 O ASP A 84 -10.627 -7.312 -9.418 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.220 -7.696 -8.392 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.472 -8.078 -7.626 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.426 -9.074 -6.875 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.497 -7.381 -7.779 1.00 0.00 O ATOM 0 H ASP A 84 -12.677 -5.611 -6.715 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.724 -8.400 -7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.415 -6.795 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -12.975 -8.487 -9.101 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.098 -5.991 -7.674 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.947 -5.391 -8.338 1.00 0.00 C ATOM 1309 C GLU A 85 -7.732 -5.381 -7.415 1.00 0.00 C ATOM 1310 O GLU A 85 -7.860 -5.520 -6.198 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.274 -3.965 -8.784 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.231 -3.900 -9.963 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.563 -4.255 -11.277 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -9.140 -5.420 -11.432 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -9.463 -3.368 -12.150 1.00 0.00 O ATOM 0 H GLU A 85 -10.267 -5.647 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.711 -5.993 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.707 -3.421 -7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.348 -3.455 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.064 -4.581 -9.788 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.649 -2.896 -10.032 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.552 -5.215 -8.002 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.312 -5.185 -7.235 1.00 0.00 C ATOM 1324 C LYS A 86 -4.182 -4.564 -8.050 1.00 0.00 C ATOM 1325 O LYS A 86 -4.129 -4.716 -9.271 1.00 0.00 O ATOM 1326 CB LYS A 86 -4.923 -6.600 -6.801 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.263 -7.414 -7.900 1.00 0.00 C ATOM 1328 CD LYS A 86 -3.682 -8.711 -7.361 1.00 0.00 C ATOM 1329 CE LYS A 86 -2.606 -9.265 -8.283 1.00 0.00 C ATOM 1330 NZ LYS A 86 -3.169 -9.713 -9.587 1.00 0.00 N ATOM 0 H LYS A 86 -6.428 -5.099 -9.008 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.477 -4.571 -6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.244 -6.536 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.815 -7.124 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.994 -7.637 -8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.472 -6.825 -8.365 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.261 -8.538 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.478 -9.447 -7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.849 -8.501 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.107 -10.103 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.404 -10.084 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.873 -10.460 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.623 -8.908 -10.064 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.282 -3.866 -7.368 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.152 -3.222 -8.030 1.00 0.00 C ATOM 1346 C CYS A 87 -0.845 -3.548 -7.314 1.00 0.00 C ATOM 1347 O CYS A 87 -0.843 -3.908 -6.137 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.358 -1.707 -8.077 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.817 -0.975 -6.489 1.00 0.00 S ATOM 0 H CYS A 87 -3.312 -3.731 -6.357 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.092 -3.605 -9.049 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.440 -1.237 -8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.134 -1.479 -8.808 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.905 0.316 -6.615 1.00 0.00 H new ATOM 1355 N SER A 88 0.265 -3.420 -8.033 1.00 0.00 N ATOM 1356 CA SER A 88 1.579 -3.706 -7.469 1.00 0.00 C ATOM 1357 C SER A 88 2.567 -2.591 -7.800 1.00 0.00 C ATOM 1358 O SER A 88 2.402 -1.871 -8.785 1.00 0.00 O ATOM 1359 CB SER A 88 2.104 -5.042 -7.997 1.00 0.00 C ATOM 1360 OG SER A 88 2.242 -5.015 -9.407 1.00 0.00 O ATOM 0 H SER A 88 0.281 -3.120 -9.008 1.00 0.00 H new ATOM 0 HA SER A 88 1.477 -3.767 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.068 -5.264 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.422 -5.843 -7.711 1.00 0.00 H new ATOM 0 HG SER A 88 2.581 -5.880 -9.719 1.00 0.00 H new ATOM 1366 N THR A 89 3.596 -2.455 -6.969 1.00 0.00 N ATOM 1367 CA THR A 89 4.611 -1.429 -7.171 1.00 0.00 C ATOM 1368 C THR A 89 5.994 -1.939 -6.784 1.00 0.00 C ATOM 1369 O THR A 89 6.127 -3.015 -6.201 1.00 0.00 O ATOM 1370 CB THR A 89 4.297 -0.161 -6.355 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.340 0.805 -6.530 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.147 -0.491 -4.878 1.00 0.00 C ATOM 0 H THR A 89 3.748 -3.043 -6.150 1.00 0.00 H new ATOM 0 HA THR A 89 4.603 -1.181 -8.232 1.00 0.00 H new ATOM 0 HB THR A 89 3.355 0.252 -6.716 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.971 1.614 -6.942 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.926 0.420 -4.322 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.333 -1.204 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.075 -0.926 -4.506 1.00 0.00 H new ATOM 1380 N GLU A 90 7.020 -1.160 -7.111 1.00 0.00 N ATOM 1381 CA GLU A 90 8.394 -1.536 -6.797 1.00 0.00 C ATOM 1382 C GLU A 90 9.064 -0.471 -5.933 1.00 0.00 C ATOM 1383 O GLU A 90 9.112 0.703 -6.300 1.00 0.00 O ATOM 1384 CB GLU A 90 9.196 -1.744 -8.083 1.00 0.00 C ATOM 1385 CG GLU A 90 8.867 -3.041 -8.802 1.00 0.00 C ATOM 1386 CD GLU A 90 7.630 -2.928 -9.671 1.00 0.00 C ATOM 1387 OE1 GLU A 90 7.478 -1.896 -10.357 1.00 0.00 O ATOM 1388 OE2 GLU A 90 6.813 -3.873 -9.666 1.00 0.00 O ATOM 0 H GLU A 90 6.926 -0.266 -7.593 1.00 0.00 H new ATOM 0 HA GLU A 90 8.370 -2.471 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 90 9.010 -0.908 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.259 -1.730 -7.844 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.715 -3.335 -9.420 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.719 -3.832 -8.067 1.00 0.00 H new ATOM 1395 N LEU A 91 9.581 -0.890 -4.783 1.00 0.00 N ATOM 1396 CA LEU A 91 10.249 0.026 -3.865 1.00 0.00 C ATOM 1397 C LEU A 91 11.762 -0.029 -4.046 1.00 0.00 C ATOM 1398 O LEU A 91 12.349 -1.108 -4.131 1.00 0.00 O ATOM 1399 CB LEU A 91 9.884 -0.314 -2.419 1.00 0.00 C ATOM 1400 CG LEU A 91 10.438 0.627 -1.348 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.930 0.401 -1.160 1.00 0.00 C ATOM 1402 CD2 LEU A 91 10.158 2.077 -1.715 1.00 0.00 C ATOM 0 H LEU A 91 9.550 -1.858 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 91 9.911 1.038 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.797 -0.330 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.235 -1.323 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 91 9.937 0.409 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.307 1.079 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.106 -0.629 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.448 0.591 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.559 2.732 -0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.632 2.309 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 91 9.082 2.230 -1.798 1.00 0.00 H new ATOM 1414 N PHE A 92 12.389 1.141 -4.102 1.00 0.00 N ATOM 1415 CA PHE A 92 13.835 1.226 -4.271 1.00 0.00 C ATOM 1416 C PHE A 92 14.466 2.050 -3.152 1.00 0.00 C ATOM 1417 O PHE A 92 14.518 3.278 -3.224 1.00 0.00 O ATOM 1418 CB PHE A 92 14.175 1.844 -5.629 1.00 0.00 C ATOM 1419 CG PHE A 92 13.921 0.923 -6.788 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.780 -0.132 -7.052 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.824 1.111 -7.612 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.548 -0.981 -8.117 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.588 0.265 -8.680 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.451 -0.783 -8.932 1.00 0.00 C ATOM 0 H PHE A 92 11.919 2.043 -4.033 1.00 0.00 H new ATOM 0 HA PHE A 92 14.241 0.215 -4.227 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.588 2.753 -5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.224 2.138 -5.633 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.640 -0.292 -6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.145 1.928 -7.418 1.00 0.00 H new ATOM 0 HE1 PHE A 92 15.225 -1.800 -8.312 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.730 0.424 -9.316 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.268 -1.446 -9.765 1.00 0.00 H new ATOM 1434 N VAL A 93 14.944 1.365 -2.119 1.00 0.00 N ATOM 1435 CA VAL A 93 15.572 2.032 -0.984 1.00 0.00 C ATOM 1436 C VAL A 93 17.079 2.151 -1.182 1.00 0.00 C ATOM 1437 O VAL A 93 17.792 1.147 -1.220 1.00 0.00 O ATOM 1438 CB VAL A 93 15.296 1.281 0.332 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.439 -0.220 0.130 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.228 1.770 1.430 1.00 0.00 C ATOM 0 H VAL A 93 14.909 0.348 -2.044 1.00 0.00 H new ATOM 0 HA VAL A 93 15.136 3.029 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 93 14.271 1.487 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.240 -0.734 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.727 -0.555 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.452 -0.448 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 93 16.019 1.229 2.353 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.262 1.596 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 93 16.072 2.837 1.592 1.00 0.00 H new ATOM 1450 N ARG A 94 17.559 3.384 -1.308 1.00 0.00 N ATOM 1451 CA ARG A 94 18.982 3.634 -1.503 1.00 0.00 C ATOM 1452 C ARG A 94 19.790 3.130 -0.311 1.00 0.00 C ATOM 1453 O ARG A 94 19.229 2.742 0.713 1.00 0.00 O ATOM 1454 CB ARG A 94 19.235 5.129 -1.709 1.00 0.00 C ATOM 1455 CG ARG A 94 18.529 5.704 -2.926 1.00 0.00 C ATOM 1456 CD ARG A 94 18.616 7.222 -2.955 1.00 0.00 C ATOM 1457 NE ARG A 94 19.912 7.686 -3.440 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.153 8.940 -3.807 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.191 9.850 -3.742 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.360 9.287 -4.238 1.00 0.00 N ATOM 0 H ARG A 94 16.983 4.225 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 94 19.303 3.092 -2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.909 5.670 -0.821 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.307 5.297 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.974 5.296 -3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.483 5.398 -2.919 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.827 7.618 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.442 7.614 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 94 20.674 7.011 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.263 9.588 -3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 94 19.379 10.812 -4.024 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.104 8.591 -4.288 1.00 0.00 H new ATOM 0 HH22 ARG A 94 21.544 10.250 -4.519 1.00 0.00 H new ATOM 1474 N SER A 95 21.112 3.138 -0.453 1.00 0.00 N ATOM 1475 CA SER A 95 21.998 2.677 0.609 1.00 0.00 C ATOM 1476 C SER A 95 22.975 3.777 1.017 1.00 0.00 C ATOM 1477 O SER A 95 23.936 4.064 0.305 1.00 0.00 O ATOM 1478 CB SER A 95 22.770 1.436 0.157 1.00 0.00 C ATOM 1479 OG SER A 95 23.589 1.725 -0.962 1.00 0.00 O ATOM 0 H SER A 95 21.593 3.459 -1.293 1.00 0.00 H new ATOM 0 HA SER A 95 21.385 2.420 1.473 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.386 1.068 0.977 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.069 0.640 -0.097 1.00 0.00 H new ATOM 0 HG SER A 95 24.062 2.570 -0.812 1.00 0.00 H new ATOM 1485 N GLY A 96 22.720 4.389 2.169 1.00 0.00 N ATOM 1486 CA GLY A 96 23.584 5.450 2.652 1.00 0.00 C ATOM 1487 C GLY A 96 22.822 6.517 3.413 1.00 0.00 C ATOM 1488 O GLY A 96 21.655 6.794 3.135 1.00 0.00 O ATOM 0 H GLY A 96 21.931 4.169 2.776 1.00 0.00 H new ATOM 0 HA2 GLY A 96 24.350 5.024 3.299 1.00 0.00 H new ATOM 0 HA3 GLY A 96 24.099 5.908 1.807 1.00 0.00 H new ATOM 1492 N PRO A 97 23.488 7.135 4.400 1.00 0.00 N ATOM 1493 CA PRO A 97 22.885 8.186 5.224 1.00 0.00 C ATOM 1494 C PRO A 97 22.652 9.474 4.442 1.00 0.00 C ATOM 1495 O PRO A 97 23.477 9.869 3.618 1.00 0.00 O ATOM 1496 CB PRO A 97 23.923 8.411 6.328 1.00 0.00 C ATOM 1497 CG PRO A 97 25.216 7.982 5.725 1.00 0.00 C ATOM 1498 CD PRO A 97 24.881 6.855 4.786 1.00 0.00 C ATOM 0 HA PRO A 97 21.902 7.898 5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 97 23.956 9.457 6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.688 7.827 7.218 1.00 0.00 H new ATOM 0 HG2 PRO A 97 25.691 8.806 5.192 1.00 0.00 H new ATOM 0 HG3 PRO A 97 25.916 7.655 6.494 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.543 6.843 3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 97 24.976 5.885 5.273 1.00 0.00 H new ATOM 1506 N SER A 98 21.524 10.126 4.706 1.00 0.00 N ATOM 1507 CA SER A 98 21.182 11.368 4.024 1.00 0.00 C ATOM 1508 C SER A 98 22.433 12.193 3.736 1.00 0.00 C ATOM 1509 O SER A 98 22.657 12.627 2.606 1.00 0.00 O ATOM 1510 CB SER A 98 20.202 12.185 4.868 1.00 0.00 C ATOM 1511 OG SER A 98 19.643 13.248 4.116 1.00 0.00 O ATOM 0 H SER A 98 20.832 9.814 5.387 1.00 0.00 H new ATOM 0 HA SER A 98 20.709 11.114 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 98 19.406 11.537 5.235 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.716 12.585 5.742 1.00 0.00 H new ATOM 0 HG SER A 98 19.019 13.753 4.678 1.00 0.00 H new ATOM 1517 N SER A 99 23.244 12.405 4.767 1.00 0.00 N ATOM 1518 CA SER A 99 24.471 13.181 4.628 1.00 0.00 C ATOM 1519 C SER A 99 25.128 12.919 3.276 1.00 0.00 C ATOM 1520 O SER A 99 25.724 11.866 3.056 1.00 0.00 O ATOM 1521 CB SER A 99 25.446 12.840 5.756 1.00 0.00 C ATOM 1522 OG SER A 99 26.696 13.479 5.561 1.00 0.00 O ATOM 0 H SER A 99 23.074 12.050 5.708 1.00 0.00 H new ATOM 0 HA SER A 99 24.212 14.238 4.689 1.00 0.00 H new ATOM 0 HB2 SER A 99 25.022 13.147 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 99 25.589 11.760 5.803 1.00 0.00 H new ATOM 0 HG SER A 99 27.301 13.246 6.296 1.00 0.00 H new ATOM 1528 N GLY A 100 25.014 13.887 2.372 1.00 0.00 N ATOM 1529 CA GLY A 100 25.601 13.743 1.053 1.00 0.00 C ATOM 1530 C GLY A 100 27.088 14.040 1.044 1.00 0.00 C ATOM 1531 O GLY A 100 27.502 15.175 1.282 1.00 0.00 O ATOM 0 H GLY A 100 24.526 14.768 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 100 25.434 12.728 0.694 1.00 0.00 H new ATOM 0 HA3 GLY A 100 25.095 14.414 0.359 1.00 0.00 H new TER 1535 GLY A 100