USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 609 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 30 ASN : amide:sc= -3.84! C(o=-5.3!,f=-17!) USER MOD Set 1.2: A 52 LYS NZ :NH3+ -107:sc= -1.43! (180deg=-0.451) USER MOD Single : A 1 ALA N :NH3+ 168:sc= 0.624 (180deg=0.379) USER MOD Single : A 5 LYS NZ :NH3+ 137:sc= -1.05 (180deg=-2.24) USER MOD Single : A 14 HIS : no HE2:sc= -1.69! C(o=-1.7!,f=-3.6!) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.54 (180deg=-0.404) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc= -0.204 (180deg=-0.745) USER MOD Single : A 36 CYS SG : rot 101:sc= -3.88! USER MOD Single : A 39 GLN : amide:sc= -0.105 K(o=-0.11,f=-0.74) USER MOD Single : A 40 ASN : amide:sc= -2.86! C(o=-2.9!,f=-16!) USER MOD Single : A 42 LYS NZ :NH3+ 173:sc= 0.525 (180deg=0.44!) USER MOD Single : A 49 SER OG : rot -159:sc= -0.0208 USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= -2.83! (180deg=-3.16!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0809 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 46:sc= 0.0024 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.049 -12.600 5.440 1.00 0.00 N ATOM 2 CA ALA A 1 3.597 -11.794 4.248 1.00 0.00 C ATOM 3 C ALA A 1 2.808 -10.576 4.741 1.00 0.00 C ATOM 4 O ALA A 1 2.567 -10.453 5.923 1.00 0.00 O ATOM 5 CB ALA A 1 2.610 -12.528 3.277 1.00 0.00 C ATOM 0 H1 ALA A 1 4.404 -13.524 5.120 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.808 -12.090 5.936 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.247 -12.742 6.087 1.00 0.00 H new ATOM 0 HA ALA A 1 4.518 -11.567 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.347 -11.863 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.088 -13.424 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.707 -12.809 3.820 1.00 0.00 H new ATOM 13 N PHE A 2 2.427 -9.721 3.824 1.00 0.00 N ATOM 14 CA PHE A 2 1.644 -8.477 4.136 1.00 0.00 C ATOM 15 C PHE A 2 0.602 -8.280 3.001 1.00 0.00 C ATOM 16 O PHE A 2 0.794 -8.818 1.923 1.00 0.00 O ATOM 17 CB PHE A 2 2.606 -7.310 4.160 1.00 0.00 C ATOM 18 CG PHE A 2 2.446 -6.409 5.388 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.427 -5.476 5.502 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.360 -6.532 6.419 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.329 -4.688 6.627 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.261 -5.747 7.541 1.00 0.00 C ATOM 23 CZ PHE A 2 2.246 -4.821 7.650 1.00 0.00 C ATOM 0 H PHE A 2 2.634 -9.837 2.832 1.00 0.00 H new ATOM 0 HA PHE A 2 1.137 -8.551 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.627 -7.691 4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.462 -6.712 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.707 -5.367 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.160 -7.253 6.340 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.532 -3.964 6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 2 3.980 -5.855 8.340 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.169 -4.202 8.532 1.00 0.00 H new ATOM 33 N GLU A 3 -0.432 -7.532 3.262 1.00 0.00 N ATOM 34 CA GLU A 3 -1.518 -7.237 2.294 1.00 0.00 C ATOM 35 C GLU A 3 -1.657 -5.714 2.265 1.00 0.00 C ATOM 36 O GLU A 3 -0.661 -5.012 2.324 1.00 0.00 O ATOM 37 CB GLU A 3 -2.769 -8.043 2.807 1.00 0.00 C ATOM 38 CG GLU A 3 -2.893 -8.010 4.341 1.00 0.00 C ATOM 39 CD GLU A 3 -3.060 -6.562 4.751 1.00 0.00 C ATOM 40 OE1 GLU A 3 -4.115 -6.045 4.436 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.105 -6.088 5.330 1.00 0.00 O ATOM 0 H GLU A 3 -0.572 -7.086 4.169 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.352 -7.544 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.674 -7.628 2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.695 -9.078 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -3.747 -8.603 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.007 -8.441 4.807 1.00 0.00 H new ATOM 48 N PHE A 4 -2.866 -5.262 2.158 1.00 0.00 N ATOM 49 CA PHE A 4 -3.160 -3.788 2.118 1.00 0.00 C ATOM 50 C PHE A 4 -4.191 -3.345 3.165 1.00 0.00 C ATOM 51 O PHE A 4 -3.857 -2.509 3.984 1.00 0.00 O ATOM 52 CB PHE A 4 -3.626 -3.454 0.685 1.00 0.00 C ATOM 53 CG PHE A 4 -3.971 -1.968 0.496 1.00 0.00 C ATOM 54 CD1 PHE A 4 -3.190 -0.962 1.038 1.00 0.00 C ATOM 55 CD2 PHE A 4 -5.067 -1.621 -0.266 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.498 0.362 0.817 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.378 -0.300 -0.490 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.591 0.696 0.053 1.00 0.00 C ATOM 0 H PHE A 4 -3.692 -5.857 2.094 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.256 -3.236 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.842 -3.732 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.501 -4.058 0.443 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.331 -1.218 1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.688 -2.395 -0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.881 1.138 1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.238 -0.042 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.833 1.734 -0.122 1.00 0.00 H new ATOM 68 N LYS A 5 -5.407 -3.845 3.140 1.00 0.00 N ATOM 69 CA LYS A 5 -6.388 -3.408 4.174 1.00 0.00 C ATOM 70 C LYS A 5 -6.969 -4.750 4.653 1.00 0.00 C ATOM 71 O LYS A 5 -7.180 -5.653 3.859 1.00 0.00 O ATOM 72 CB LYS A 5 -7.555 -2.556 3.596 1.00 0.00 C ATOM 73 CG LYS A 5 -7.181 -1.598 2.413 1.00 0.00 C ATOM 74 CD LYS A 5 -6.061 -0.466 2.634 1.00 0.00 C ATOM 75 CE LYS A 5 -6.255 0.770 3.584 1.00 0.00 C ATOM 76 NZ LYS A 5 -5.141 1.771 3.437 1.00 0.00 N ATOM 0 H LYS A 5 -5.753 -4.523 2.461 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.915 -2.786 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.340 -3.232 3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.977 -1.958 4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.856 -2.220 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.096 -1.095 2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.166 -0.983 2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.833 -0.062 1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.207 1.252 3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.303 0.429 4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.538 2.732 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.486 1.681 4.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.628 1.592 2.550 1.00 0.00 H new ATOM 90 N LEU A 6 -7.236 -4.796 5.923 1.00 0.00 N ATOM 91 CA LEU A 6 -7.797 -6.005 6.591 1.00 0.00 C ATOM 92 C LEU A 6 -9.333 -5.905 6.542 1.00 0.00 C ATOM 93 O LEU A 6 -9.847 -4.891 6.118 1.00 0.00 O ATOM 94 CB LEU A 6 -7.287 -5.994 8.039 1.00 0.00 C ATOM 95 CG LEU A 6 -5.736 -6.037 8.096 1.00 0.00 C ATOM 96 CD1 LEU A 6 -5.274 -5.764 9.553 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.208 -7.404 7.611 1.00 0.00 C ATOM 0 H LEU A 6 -7.082 -4.011 6.556 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.494 -6.932 6.105 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.646 -5.098 8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.696 -6.850 8.576 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.332 -5.270 7.435 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.185 -5.793 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.625 -4.781 9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.686 -6.526 10.214 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.119 -7.411 7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.605 -8.194 8.248 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.527 -7.573 6.582 1.00 0.00 H new ATOM 109 N PRO A 7 -10.037 -6.932 6.960 1.00 0.00 N ATOM 110 CA PRO A 7 -11.504 -6.862 7.193 1.00 0.00 C ATOM 111 C PRO A 7 -12.082 -5.597 7.866 1.00 0.00 C ATOM 112 O PRO A 7 -12.316 -5.629 9.059 1.00 0.00 O ATOM 113 CB PRO A 7 -11.811 -8.136 7.992 1.00 0.00 C ATOM 114 CG PRO A 7 -10.814 -9.153 7.376 1.00 0.00 C ATOM 115 CD PRO A 7 -9.508 -8.300 7.257 1.00 0.00 C ATOM 0 HA PRO A 7 -12.003 -6.791 6.226 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.644 -7.997 9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.846 -8.455 7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.674 -10.025 8.015 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.152 -9.519 6.406 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.927 -8.318 8.179 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.857 -8.664 6.462 1.00 0.00 H new ATOM 123 N ASP A 8 -12.291 -4.556 7.106 1.00 0.00 N ATOM 124 CA ASP A 8 -12.856 -3.302 7.639 1.00 0.00 C ATOM 125 C ASP A 8 -14.098 -3.083 6.795 1.00 0.00 C ATOM 126 O ASP A 8 -15.178 -3.362 7.284 1.00 0.00 O ATOM 127 CB ASP A 8 -11.903 -2.186 7.424 1.00 0.00 C ATOM 128 CG ASP A 8 -12.536 -0.902 7.945 1.00 0.00 C ATOM 129 OD1 ASP A 8 -13.242 -0.327 7.131 1.00 0.00 O ATOM 130 OD2 ASP A 8 -12.309 -0.575 9.091 1.00 0.00 O ATOM 0 H ASP A 8 -12.084 -4.532 6.108 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.064 -3.349 8.708 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.965 -2.384 7.943 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.666 -2.089 6.364 1.00 0.00 H new ATOM 135 N ILE A 9 -13.933 -2.624 5.573 1.00 0.00 N ATOM 136 CA ILE A 9 -15.106 -2.372 4.666 1.00 0.00 C ATOM 137 C ILE A 9 -16.280 -1.810 5.509 1.00 0.00 C ATOM 138 O ILE A 9 -17.427 -2.197 5.379 1.00 0.00 O ATOM 139 CB ILE A 9 -15.523 -3.738 3.925 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.808 -4.904 4.931 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.410 -4.153 2.922 1.00 0.00 C ATOM 142 CD1 ILE A 9 -16.258 -6.183 4.190 1.00 0.00 C ATOM 0 H ILE A 9 -13.025 -2.411 5.160 1.00 0.00 H new ATOM 0 HA ILE A 9 -14.842 -1.642 3.900 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.453 -3.548 3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.910 -5.114 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.580 -4.598 5.637 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.697 -5.078 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.277 -3.366 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.474 -4.306 3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.449 -6.975 4.914 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.170 -5.977 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.474 -6.501 3.503 1.00 0.00 H new ATOM 154 N GLY A 10 -15.904 -0.890 6.351 1.00 0.00 N ATOM 155 CA GLY A 10 -16.851 -0.207 7.273 1.00 0.00 C ATOM 156 C GLY A 10 -17.379 1.028 6.572 1.00 0.00 C ATOM 157 O GLY A 10 -17.282 1.115 5.366 1.00 0.00 O ATOM 0 H GLY A 10 -14.939 -0.572 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -17.671 -0.874 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.349 0.067 8.201 1.00 0.00 H new ATOM 161 N GLU A 11 -17.933 1.962 7.290 1.00 0.00 N ATOM 162 CA GLU A 11 -18.464 3.182 6.645 1.00 0.00 C ATOM 163 C GLU A 11 -17.571 4.352 7.010 1.00 0.00 C ATOM 164 O GLU A 11 -16.822 4.303 7.966 1.00 0.00 O ATOM 165 CB GLU A 11 -19.850 3.343 7.175 1.00 0.00 C ATOM 166 CG GLU A 11 -20.728 2.178 6.695 1.00 0.00 C ATOM 167 CD GLU A 11 -22.131 2.463 7.200 1.00 0.00 C ATOM 168 OE1 GLU A 11 -22.728 3.333 6.590 1.00 0.00 O ATOM 169 OE2 GLU A 11 -22.499 1.806 8.153 1.00 0.00 O ATOM 0 H GLU A 11 -18.039 1.928 8.304 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.484 3.125 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.832 3.372 8.264 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -20.270 4.290 6.838 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.714 2.104 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.360 1.229 7.084 1.00 0.00 H new ATOM 176 N GLY A 12 -17.680 5.376 6.224 1.00 0.00 N ATOM 177 CA GLY A 12 -16.873 6.601 6.455 1.00 0.00 C ATOM 178 C GLY A 12 -15.738 6.528 5.460 1.00 0.00 C ATOM 179 O GLY A 12 -15.735 7.256 4.492 1.00 0.00 O ATOM 0 H GLY A 12 -18.303 5.420 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.471 7.500 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.497 6.637 7.478 1.00 0.00 H new ATOM 183 N ILE A 13 -14.823 5.638 5.728 1.00 0.00 N ATOM 184 CA ILE A 13 -13.640 5.455 4.839 1.00 0.00 C ATOM 185 C ILE A 13 -13.425 3.960 4.539 1.00 0.00 C ATOM 186 O ILE A 13 -12.621 3.333 5.195 1.00 0.00 O ATOM 187 CB ILE A 13 -12.434 6.063 5.553 1.00 0.00 C ATOM 188 CG1 ILE A 13 -12.655 7.561 5.964 1.00 0.00 C ATOM 189 CG2 ILE A 13 -11.127 5.947 4.723 1.00 0.00 C ATOM 190 CD1 ILE A 13 -12.829 8.469 4.718 1.00 0.00 C ATOM 0 H ILE A 13 -14.845 5.019 6.539 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.790 5.952 3.880 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.325 5.471 6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.537 7.639 6.599 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -11.806 7.908 6.553 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.303 6.395 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.908 4.896 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.251 6.468 3.774 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -12.980 9.500 5.037 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -11.936 8.409 4.096 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.694 8.137 4.144 1.00 0.00 H new ATOM 202 N HIS A 14 -14.114 3.400 3.589 1.00 0.00 N ATOM 203 CA HIS A 14 -13.901 1.938 3.294 1.00 0.00 C ATOM 204 C HIS A 14 -13.109 1.802 2.011 1.00 0.00 C ATOM 205 O HIS A 14 -13.043 0.744 1.405 1.00 0.00 O ATOM 206 CB HIS A 14 -15.264 1.219 3.139 1.00 0.00 C ATOM 207 CG HIS A 14 -16.375 2.146 2.618 1.00 0.00 C ATOM 208 ND1 HIS A 14 -17.601 2.080 3.013 1.00 0.00 N ATOM 209 CD2 HIS A 14 -16.379 3.178 1.694 1.00 0.00 C ATOM 210 CE1 HIS A 14 -18.311 2.973 2.406 1.00 0.00 C ATOM 211 NE2 HIS A 14 -17.589 3.685 1.577 1.00 0.00 N ATOM 0 H HIS A 14 -14.806 3.871 3.007 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.354 1.481 4.119 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -15.149 0.378 2.455 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.564 0.808 4.103 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -17.958 1.420 3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -15.512 3.519 1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -19.370 3.115 2.563 1.00 0.00 H new ATOM 219 N GLU A 15 -12.518 2.894 1.640 1.00 0.00 N ATOM 220 CA GLU A 15 -11.707 2.933 0.413 1.00 0.00 C ATOM 221 C GLU A 15 -10.468 3.779 0.693 1.00 0.00 C ATOM 222 O GLU A 15 -10.379 4.479 1.686 1.00 0.00 O ATOM 223 CB GLU A 15 -12.621 3.516 -0.675 1.00 0.00 C ATOM 224 CG GLU A 15 -13.262 4.866 -0.247 1.00 0.00 C ATOM 225 CD GLU A 15 -14.492 5.089 -1.118 1.00 0.00 C ATOM 226 OE1 GLU A 15 -14.302 5.175 -2.317 1.00 0.00 O ATOM 227 OE2 GLU A 15 -15.545 5.153 -0.519 1.00 0.00 O ATOM 0 H GLU A 15 -12.567 3.777 2.149 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.348 1.959 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.046 3.663 -1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.409 2.799 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.539 4.841 0.807 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.552 5.683 -0.371 1.00 0.00 H new ATOM 234 N GLY A 16 -9.541 3.683 -0.203 1.00 0.00 N ATOM 235 CA GLY A 16 -8.265 4.435 -0.101 1.00 0.00 C ATOM 236 C GLY A 16 -8.040 5.134 -1.435 1.00 0.00 C ATOM 237 O GLY A 16 -8.036 4.479 -2.463 1.00 0.00 O ATOM 0 H GLY A 16 -9.614 3.094 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.312 5.162 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.439 3.760 0.123 1.00 0.00 H new ATOM 241 N GLU A 17 -7.852 6.422 -1.398 1.00 0.00 N ATOM 242 CA GLU A 17 -7.617 7.218 -2.627 1.00 0.00 C ATOM 243 C GLU A 17 -6.095 7.278 -2.586 1.00 0.00 C ATOM 244 O GLU A 17 -5.536 8.065 -1.840 1.00 0.00 O ATOM 245 CB GLU A 17 -8.305 8.590 -2.419 1.00 0.00 C ATOM 246 CG GLU A 17 -8.265 9.498 -3.663 1.00 0.00 C ATOM 247 CD GLU A 17 -9.111 10.745 -3.372 1.00 0.00 C ATOM 248 OE1 GLU A 17 -10.306 10.546 -3.225 1.00 0.00 O ATOM 249 OE2 GLU A 17 -8.522 11.812 -3.313 1.00 0.00 O ATOM 0 H GLU A 17 -7.852 6.970 -0.538 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.998 6.845 -3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.344 8.426 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.824 9.106 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.238 9.781 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.654 8.969 -4.533 1.00 0.00 H new ATOM 256 N ILE A 18 -5.447 6.454 -3.359 1.00 0.00 N ATOM 257 CA ILE A 18 -3.984 6.436 -3.383 1.00 0.00 C ATOM 258 C ILE A 18 -3.731 7.596 -4.341 1.00 0.00 C ATOM 259 O ILE A 18 -4.235 7.584 -5.445 1.00 0.00 O ATOM 260 CB ILE A 18 -3.505 5.119 -3.990 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.258 3.850 -3.484 1.00 0.00 C ATOM 262 CG2 ILE A 18 -2.052 5.024 -3.673 1.00 0.00 C ATOM 263 CD1 ILE A 18 -4.150 3.651 -1.978 1.00 0.00 C ATOM 0 H ILE A 18 -5.892 5.782 -3.984 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.486 6.522 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.710 5.136 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.310 3.925 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.858 2.972 -3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.650 4.098 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.528 5.873 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.914 5.032 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.695 2.752 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.102 3.545 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.576 4.513 -1.466 1.00 0.00 H new ATOM 275 N VAL A 19 -2.966 8.536 -3.889 1.00 0.00 N ATOM 276 CA VAL A 19 -2.654 9.713 -4.719 1.00 0.00 C ATOM 277 C VAL A 19 -1.224 9.549 -5.207 1.00 0.00 C ATOM 278 O VAL A 19 -0.893 9.873 -6.327 1.00 0.00 O ATOM 279 CB VAL A 19 -2.776 10.955 -3.828 1.00 0.00 C ATOM 280 CG1 VAL A 19 -3.066 12.247 -4.620 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.792 10.747 -2.681 1.00 0.00 C ATOM 0 H VAL A 19 -2.537 8.537 -2.963 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.326 9.813 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.794 11.092 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.140 13.088 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.257 12.429 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.005 12.138 -5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.847 11.651 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.775 10.531 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.472 9.912 -2.058 1.00 0.00 H new ATOM 291 N LYS A 20 -0.389 9.067 -4.331 1.00 0.00 N ATOM 292 CA LYS A 20 1.028 8.878 -4.717 1.00 0.00 C ATOM 293 C LYS A 20 1.587 7.538 -4.227 1.00 0.00 C ATOM 294 O LYS A 20 1.108 6.977 -3.259 1.00 0.00 O ATOM 295 CB LYS A 20 1.770 10.060 -4.116 1.00 0.00 C ATOM 296 CG LYS A 20 3.280 9.920 -4.299 1.00 0.00 C ATOM 297 CD LYS A 20 3.960 11.005 -3.455 1.00 0.00 C ATOM 298 CE LYS A 20 5.259 10.461 -2.927 1.00 0.00 C ATOM 299 NZ LYS A 20 5.969 9.592 -3.916 1.00 0.00 N ATOM 0 H LYS A 20 -0.626 8.799 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 20 1.143 8.844 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.429 10.983 -4.585 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.536 10.137 -3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.612 8.930 -3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.549 10.030 -5.350 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.140 11.895 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.312 11.304 -2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.908 11.291 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.066 9.888 -2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.988 9.591 -3.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.601 8.621 -3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.812 9.959 -4.876 1.00 0.00 H new ATOM 313 N TRP A 21 2.595 7.101 -4.936 1.00 0.00 N ATOM 314 CA TRP A 21 3.303 5.828 -4.632 1.00 0.00 C ATOM 315 C TRP A 21 4.773 6.188 -4.426 1.00 0.00 C ATOM 316 O TRP A 21 5.142 7.347 -4.554 1.00 0.00 O ATOM 317 CB TRP A 21 3.219 4.851 -5.783 1.00 0.00 C ATOM 318 CG TRP A 21 2.105 3.840 -5.562 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.952 3.800 -6.279 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.119 2.822 -4.670 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.332 2.754 -5.783 1.00 0.00 N ATOM 322 CE2 TRP A 21 0.947 2.097 -4.819 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.040 2.434 -3.704 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.705 0.996 -4.028 1.00 0.00 C ATOM 325 CZ3 TRP A 21 2.788 1.326 -2.928 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.625 0.611 -3.084 1.00 0.00 C ATOM 0 H TRP A 21 2.968 7.597 -5.745 1.00 0.00 H new ATOM 0 HA TRP A 21 2.850 5.360 -3.758 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.043 5.393 -6.712 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.170 4.330 -5.893 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.625 4.465 -7.064 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.583 2.463 -6.127 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.949 3.000 -3.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.209 0.435 -4.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.512 1.015 -2.189 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.435 -0.253 -2.465 1.00 0.00 H new ATOM 337 N PHE A 22 5.562 5.192 -4.122 1.00 0.00 N ATOM 338 CA PHE A 22 7.036 5.362 -3.875 1.00 0.00 C ATOM 339 C PHE A 22 7.875 4.333 -4.613 1.00 0.00 C ATOM 340 O PHE A 22 8.791 4.681 -5.326 1.00 0.00 O ATOM 341 CB PHE A 22 7.342 5.243 -2.356 1.00 0.00 C ATOM 342 CG PHE A 22 6.643 6.408 -1.656 1.00 0.00 C ATOM 343 CD1 PHE A 22 5.263 6.437 -1.519 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.392 7.465 -1.173 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.652 7.508 -0.916 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.772 8.535 -0.567 1.00 0.00 C ATOM 347 CZ PHE A 22 5.404 8.551 -0.443 1.00 0.00 C ATOM 0 H PHE A 22 5.238 4.229 -4.030 1.00 0.00 H new ATOM 0 HA PHE A 22 7.299 6.352 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.984 4.290 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.417 5.277 -2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.668 5.615 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.467 7.451 -1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.577 7.529 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.360 9.359 -0.190 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.918 9.391 0.030 1.00 0.00 H new ATOM 357 N VAL A 23 7.532 3.094 -4.421 1.00 0.00 N ATOM 358 CA VAL A 23 8.293 2.004 -5.090 1.00 0.00 C ATOM 359 C VAL A 23 7.545 1.547 -6.328 1.00 0.00 C ATOM 360 O VAL A 23 6.446 1.997 -6.597 1.00 0.00 O ATOM 361 CB VAL A 23 8.473 0.843 -4.087 1.00 0.00 C ATOM 362 CG1 VAL A 23 9.053 1.502 -2.839 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.165 0.112 -3.739 1.00 0.00 C ATOM 0 H VAL A 23 6.759 2.787 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 23 9.275 2.358 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 23 9.112 0.072 -4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.214 0.746 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 23 10.003 1.976 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.357 2.255 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.374 -0.689 -3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.462 0.816 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.731 -0.310 -4.646 1.00 0.00 H new ATOM 373 N LYS A 24 8.186 0.656 -7.015 1.00 0.00 N ATOM 374 CA LYS A 24 7.610 0.094 -8.268 1.00 0.00 C ATOM 375 C LYS A 24 7.392 -1.416 -8.069 1.00 0.00 C ATOM 376 O LYS A 24 7.977 -1.986 -7.168 1.00 0.00 O ATOM 377 CB LYS A 24 8.593 0.373 -9.491 1.00 0.00 C ATOM 378 CG LYS A 24 9.985 -0.348 -9.460 1.00 0.00 C ATOM 379 CD LYS A 24 10.972 0.267 -8.434 1.00 0.00 C ATOM 380 CE LYS A 24 12.364 -0.375 -8.634 1.00 0.00 C ATOM 381 NZ LYS A 24 12.901 -0.107 -10.002 1.00 0.00 N ATOM 0 H LYS A 24 9.101 0.283 -6.761 1.00 0.00 H new ATOM 0 HA LYS A 24 6.655 0.569 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.082 0.085 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.768 1.447 -9.547 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.835 -1.401 -9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.431 -0.305 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.032 1.347 -8.569 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.618 0.092 -7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.056 0.015 -7.888 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.296 -1.451 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.939 -0.175 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.518 -0.807 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.621 0.848 -10.304 1.00 0.00 H new ATOM 395 N PRO A 25 6.575 -2.037 -8.893 1.00 0.00 N ATOM 396 CA PRO A 25 6.400 -3.512 -8.855 1.00 0.00 C ATOM 397 C PRO A 25 7.718 -4.276 -9.019 1.00 0.00 C ATOM 398 O PRO A 25 8.316 -4.220 -10.077 1.00 0.00 O ATOM 399 CB PRO A 25 5.396 -3.818 -9.984 1.00 0.00 C ATOM 400 CG PRO A 25 4.601 -2.489 -10.120 1.00 0.00 C ATOM 401 CD PRO A 25 5.704 -1.412 -9.935 1.00 0.00 C ATOM 0 HA PRO A 25 6.033 -3.844 -7.884 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.902 -4.082 -10.913 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.744 -4.653 -9.728 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.113 -2.406 -11.091 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.821 -2.404 -9.363 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.247 -1.221 -10.860 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.292 -0.458 -9.605 1.00 0.00 H new ATOM 409 N GLY A 26 8.124 -4.941 -7.978 1.00 0.00 N ATOM 410 CA GLY A 26 9.378 -5.733 -8.036 1.00 0.00 C ATOM 411 C GLY A 26 10.515 -5.101 -7.306 1.00 0.00 C ATOM 412 O GLY A 26 11.633 -5.522 -7.546 1.00 0.00 O ATOM 0 H GLY A 26 7.637 -4.970 -7.082 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.193 -6.722 -7.618 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.661 -5.875 -9.079 1.00 0.00 H new ATOM 416 N ASP A 27 10.226 -4.160 -6.451 1.00 0.00 N ATOM 417 CA ASP A 27 11.366 -3.539 -5.735 1.00 0.00 C ATOM 418 C ASP A 27 11.657 -4.370 -4.514 1.00 0.00 C ATOM 419 O ASP A 27 10.825 -5.139 -4.050 1.00 0.00 O ATOM 420 CB ASP A 27 10.981 -2.091 -5.365 1.00 0.00 C ATOM 421 CG ASP A 27 12.210 -1.236 -5.136 1.00 0.00 C ATOM 422 OD1 ASP A 27 12.977 -1.191 -6.083 1.00 0.00 O ATOM 423 OD2 ASP A 27 12.297 -0.681 -4.063 1.00 0.00 O ATOM 0 H ASP A 27 9.295 -3.809 -6.226 1.00 0.00 H new ATOM 0 HA ASP A 27 12.263 -3.503 -6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.378 -1.658 -6.163 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.365 -2.095 -4.466 1.00 0.00 H new ATOM 428 N GLU A 28 12.849 -4.133 -4.069 1.00 0.00 N ATOM 429 CA GLU A 28 13.450 -4.792 -2.886 1.00 0.00 C ATOM 430 C GLU A 28 13.467 -3.609 -1.908 1.00 0.00 C ATOM 431 O GLU A 28 14.424 -2.855 -1.880 1.00 0.00 O ATOM 432 CB GLU A 28 14.949 -5.281 -3.135 1.00 0.00 C ATOM 433 CG GLU A 28 15.394 -5.728 -4.594 1.00 0.00 C ATOM 434 CD GLU A 28 14.469 -6.741 -5.253 1.00 0.00 C ATOM 435 OE1 GLU A 28 13.309 -6.844 -4.906 1.00 0.00 O ATOM 436 OE2 GLU A 28 14.943 -7.432 -6.139 1.00 0.00 O ATOM 0 H GLU A 28 13.475 -3.460 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 28 12.914 -5.688 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.612 -4.473 -2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.134 -6.121 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 28 15.455 -4.844 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.397 -6.152 -4.541 1.00 0.00 H new ATOM 443 N VAL A 29 12.454 -3.432 -1.106 1.00 0.00 N ATOM 444 CA VAL A 29 12.508 -2.259 -0.182 1.00 0.00 C ATOM 445 C VAL A 29 13.142 -2.759 1.110 1.00 0.00 C ATOM 446 O VAL A 29 13.420 -3.928 1.271 1.00 0.00 O ATOM 447 CB VAL A 29 11.036 -1.731 0.021 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.112 -2.868 0.518 1.00 0.00 C ATOM 449 CG2 VAL A 29 10.860 -0.403 0.857 1.00 0.00 C ATOM 0 H VAL A 29 11.622 -4.020 -1.047 1.00 0.00 H new ATOM 0 HA VAL A 29 13.099 -1.427 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 29 10.726 -1.415 -0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.101 -2.483 0.652 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.099 -3.674 -0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.484 -3.250 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.801 -0.151 0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.260 -0.549 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.397 0.409 0.367 1.00 0.00 H new ATOM 459 N ASN A 30 13.345 -1.849 2.017 1.00 0.00 N ATOM 460 CA ASN A 30 13.969 -2.215 3.364 1.00 0.00 C ATOM 461 C ASN A 30 12.949 -2.220 4.487 1.00 0.00 C ATOM 462 O ASN A 30 13.091 -2.840 5.527 1.00 0.00 O ATOM 463 CB ASN A 30 14.980 -1.228 3.732 1.00 0.00 C ATOM 464 CG ASN A 30 15.538 -1.493 5.137 1.00 0.00 C ATOM 465 OD1 ASN A 30 15.863 -2.611 5.484 1.00 0.00 O ATOM 466 ND2 ASN A 30 15.682 -0.539 5.981 1.00 0.00 N ATOM 0 H ASN A 30 13.114 -0.862 1.906 1.00 0.00 H new ATOM 0 HA ASN A 30 14.393 -3.212 3.242 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.793 -1.250 3.006 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.546 -0.229 3.694 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.059 -0.732 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.420 0.413 5.725 1.00 0.00 H new ATOM 473 N GLU A 31 11.992 -1.482 4.062 1.00 0.00 N ATOM 474 CA GLU A 31 10.702 -1.057 4.604 1.00 0.00 C ATOM 475 C GLU A 31 10.188 -0.688 5.975 1.00 0.00 C ATOM 476 O GLU A 31 9.397 -1.238 6.721 1.00 0.00 O ATOM 477 CB GLU A 31 9.775 -2.030 3.777 1.00 0.00 C ATOM 478 CG GLU A 31 8.272 -1.852 3.936 1.00 0.00 C ATOM 479 CD GLU A 31 7.815 -0.458 3.474 1.00 0.00 C ATOM 480 OE1 GLU A 31 8.419 0.505 3.915 1.00 0.00 O ATOM 481 OE2 GLU A 31 6.867 -0.425 2.715 1.00 0.00 O ATOM 0 H GLU A 31 12.100 -1.067 3.136 1.00 0.00 H new ATOM 0 HA GLU A 31 10.777 0.030 4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.020 -1.916 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.026 -3.054 4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.751 -2.616 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.996 -1.998 4.980 1.00 0.00 H new ATOM 488 N ASP A 32 10.873 0.397 6.081 1.00 0.00 N ATOM 489 CA ASP A 32 11.016 1.449 7.074 1.00 0.00 C ATOM 490 C ASP A 32 11.012 2.656 6.060 1.00 0.00 C ATOM 491 O ASP A 32 11.486 3.738 6.359 1.00 0.00 O ATOM 492 CB ASP A 32 12.379 1.257 7.781 1.00 0.00 C ATOM 493 CG ASP A 32 13.571 1.296 6.783 1.00 0.00 C ATOM 494 OD1 ASP A 32 13.414 0.920 5.623 1.00 0.00 O ATOM 495 OD2 ASP A 32 14.637 1.687 7.212 1.00 0.00 O ATOM 0 H ASP A 32 11.488 0.626 5.300 1.00 0.00 H new ATOM 0 HA ASP A 32 10.290 1.525 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.510 2.037 8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.381 0.303 8.309 1.00 0.00 H new ATOM 500 N ASP A 33 10.441 2.401 4.896 1.00 0.00 N ATOM 501 CA ASP A 33 10.302 3.330 3.739 1.00 0.00 C ATOM 502 C ASP A 33 8.801 3.560 3.577 1.00 0.00 C ATOM 503 O ASP A 33 8.102 3.541 4.578 1.00 0.00 O ATOM 504 CB ASP A 33 10.925 2.614 2.519 1.00 0.00 C ATOM 505 CG ASP A 33 10.851 3.492 1.269 1.00 0.00 C ATOM 506 OD1 ASP A 33 11.271 4.632 1.339 1.00 0.00 O ATOM 507 OD2 ASP A 33 10.366 2.975 0.284 1.00 0.00 O ATOM 0 H ASP A 33 10.030 1.488 4.700 1.00 0.00 H new ATOM 0 HA ASP A 33 10.802 4.291 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.965 2.365 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.403 1.674 2.339 1.00 0.00 H new ATOM 512 N VAL A 34 8.304 3.789 2.385 1.00 0.00 N ATOM 513 CA VAL A 34 6.888 4.004 2.190 1.00 0.00 C ATOM 514 C VAL A 34 6.352 2.944 1.254 1.00 0.00 C ATOM 515 O VAL A 34 6.999 2.266 0.486 1.00 0.00 O ATOM 516 CB VAL A 34 6.630 5.348 1.543 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.255 5.826 1.881 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.608 6.377 2.068 1.00 0.00 C ATOM 0 H VAL A 34 8.861 3.832 1.531 1.00 0.00 H new ATOM 0 HA VAL A 34 6.402 3.963 3.165 1.00 0.00 H new ATOM 0 HB VAL A 34 6.741 5.228 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.080 6.794 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.520 5.108 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.160 5.926 2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.412 7.339 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.491 6.473 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.626 6.061 1.840 1.00 0.00 H new ATOM 528 N LEU A 35 5.075 2.935 1.374 1.00 0.00 N ATOM 529 CA LEU A 35 4.232 2.010 0.600 1.00 0.00 C ATOM 530 C LEU A 35 3.330 3.014 -0.086 1.00 0.00 C ATOM 531 O LEU A 35 3.611 3.374 -1.209 1.00 0.00 O ATOM 532 CB LEU A 35 3.423 1.064 1.545 1.00 0.00 C ATOM 533 CG LEU A 35 2.810 -0.158 0.820 1.00 0.00 C ATOM 534 CD1 LEU A 35 3.944 -1.179 0.561 1.00 0.00 C ATOM 535 CD2 LEU A 35 1.794 -0.820 1.777 1.00 0.00 C ATOM 0 H LEU A 35 4.558 3.553 1.999 1.00 0.00 H new ATOM 0 HA LEU A 35 4.765 1.333 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.079 0.712 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.624 1.634 2.019 1.00 0.00 H new ATOM 0 HG LEU A 35 2.333 0.144 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.538 -2.052 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.712 -0.719 -0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.381 -1.486 1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.346 -1.686 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.304 -1.139 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.014 -0.103 2.032 1.00 0.00 H new ATOM 547 N CYS A 36 2.305 3.486 0.575 1.00 0.00 N ATOM 548 CA CYS A 36 1.393 4.463 -0.099 1.00 0.00 C ATOM 549 C CYS A 36 1.053 5.709 0.730 1.00 0.00 C ATOM 550 O CYS A 36 1.387 5.788 1.899 1.00 0.00 O ATOM 551 CB CYS A 36 0.139 3.670 -0.464 1.00 0.00 C ATOM 552 SG CYS A 36 -0.983 3.187 0.869 1.00 0.00 S ATOM 0 H CYS A 36 2.061 3.244 1.535 1.00 0.00 H new ATOM 0 HA CYS A 36 1.896 4.881 -0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.431 4.260 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.456 2.762 -0.978 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.001 3.995 0.894 1.00 0.00 H new ATOM 558 N GLU A 37 0.386 6.620 0.072 1.00 0.00 N ATOM 559 CA GLU A 37 -0.064 7.932 0.644 1.00 0.00 C ATOM 560 C GLU A 37 -1.548 7.957 0.236 1.00 0.00 C ATOM 561 O GLU A 37 -1.824 7.586 -0.894 1.00 0.00 O ATOM 562 CB GLU A 37 0.785 9.033 -0.098 1.00 0.00 C ATOM 563 CG GLU A 37 1.463 10.155 0.695 1.00 0.00 C ATOM 564 CD GLU A 37 2.218 11.050 -0.303 1.00 0.00 C ATOM 565 OE1 GLU A 37 1.539 11.593 -1.155 1.00 0.00 O ATOM 566 OE2 GLU A 37 3.430 11.147 -0.181 1.00 0.00 O ATOM 0 H GLU A 37 0.117 6.500 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 37 0.056 8.085 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.566 8.516 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.130 9.506 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.722 10.736 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.151 9.740 1.431 1.00 0.00 H new ATOM 573 N VAL A 38 -2.437 8.383 1.095 1.00 0.00 N ATOM 574 CA VAL A 38 -3.880 8.408 0.709 1.00 0.00 C ATOM 575 C VAL A 38 -4.492 9.722 1.143 1.00 0.00 C ATOM 576 O VAL A 38 -4.149 10.255 2.181 1.00 0.00 O ATOM 577 CB VAL A 38 -4.602 7.221 1.385 1.00 0.00 C ATOM 578 CG1 VAL A 38 -6.131 7.402 1.356 1.00 0.00 C ATOM 579 CG2 VAL A 38 -4.309 5.960 0.563 1.00 0.00 C ATOM 0 H VAL A 38 -2.230 8.712 2.038 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.984 8.316 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.254 7.155 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.608 6.549 1.840 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.399 8.316 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.470 7.469 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.808 5.105 1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.677 6.095 -0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.234 5.783 0.539 1.00 0.00 H new ATOM 589 N GLN A 39 -5.408 10.190 0.350 1.00 0.00 N ATOM 590 CA GLN A 39 -6.066 11.469 0.686 1.00 0.00 C ATOM 591 C GLN A 39 -7.486 11.107 1.097 1.00 0.00 C ATOM 592 O GLN A 39 -8.111 10.240 0.515 1.00 0.00 O ATOM 593 CB GLN A 39 -5.969 12.354 -0.570 1.00 0.00 C ATOM 594 CG GLN A 39 -6.667 13.730 -0.448 1.00 0.00 C ATOM 595 CD GLN A 39 -5.772 14.829 -1.064 1.00 0.00 C ATOM 596 OE1 GLN A 39 -4.956 14.603 -1.933 1.00 0.00 O ATOM 597 NE2 GLN A 39 -5.884 16.054 -0.647 1.00 0.00 N ATOM 0 H GLN A 39 -5.726 9.743 -0.510 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.616 12.030 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.917 12.515 -0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.403 11.815 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.630 13.705 -0.957 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.866 13.955 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.559 16.285 0.082 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.297 16.785 -1.049 1.00 0.00 H new ATOM 606 N ASN A 40 -7.948 11.757 2.124 1.00 0.00 N ATOM 607 CA ASN A 40 -9.319 11.529 2.660 1.00 0.00 C ATOM 608 C ASN A 40 -9.612 12.712 3.561 1.00 0.00 C ATOM 609 O ASN A 40 -8.969 13.734 3.440 1.00 0.00 O ATOM 610 CB ASN A 40 -9.363 10.184 3.445 1.00 0.00 C ATOM 611 CG ASN A 40 -8.402 10.211 4.622 1.00 0.00 C ATOM 612 OD1 ASN A 40 -8.158 11.230 5.215 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.810 9.127 5.021 1.00 0.00 N ATOM 0 H ASN A 40 -7.414 12.462 2.633 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.066 11.454 1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.376 10.000 3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.105 9.361 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -7.165 9.159 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.990 8.243 4.545 1.00 0.00 H new ATOM 620 N ASP A 41 -10.578 12.502 4.400 1.00 0.00 N ATOM 621 CA ASP A 41 -11.040 13.501 5.385 1.00 0.00 C ATOM 622 C ASP A 41 -9.963 14.473 5.851 1.00 0.00 C ATOM 623 O ASP A 41 -10.135 15.670 5.716 1.00 0.00 O ATOM 624 CB ASP A 41 -11.640 12.757 6.623 1.00 0.00 C ATOM 625 CG ASP A 41 -10.634 12.128 7.613 1.00 0.00 C ATOM 626 OD1 ASP A 41 -9.704 11.448 7.266 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.881 12.374 8.761 1.00 0.00 O ATOM 0 H ASP A 41 -11.094 11.623 4.441 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.790 14.107 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.263 13.462 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.297 11.967 6.259 1.00 0.00 H new ATOM 632 N LYS A 42 -8.903 13.956 6.405 1.00 0.00 N ATOM 633 CA LYS A 42 -7.796 14.841 6.895 1.00 0.00 C ATOM 634 C LYS A 42 -6.413 14.269 6.542 1.00 0.00 C ATOM 635 O LYS A 42 -5.405 14.929 6.721 1.00 0.00 O ATOM 636 CB LYS A 42 -7.941 14.989 8.435 1.00 0.00 C ATOM 637 CG LYS A 42 -9.407 15.456 8.783 1.00 0.00 C ATOM 638 CD LYS A 42 -9.837 14.897 10.156 1.00 0.00 C ATOM 639 CE LYS A 42 -11.419 14.829 10.233 1.00 0.00 C ATOM 640 NZ LYS A 42 -11.872 13.453 10.608 1.00 0.00 N ATOM 0 H LYS A 42 -8.750 12.957 6.543 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.872 15.813 6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.725 14.039 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.218 15.713 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.456 16.545 8.795 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.097 15.115 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.413 13.904 10.304 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -9.451 15.531 10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.784 15.549 10.965 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.847 15.108 9.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.899 13.458 10.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.645 12.791 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.387 13.153 11.478 1.00 0.00 H new ATOM 654 N ALA A 43 -6.377 13.065 6.054 1.00 0.00 N ATOM 655 CA ALA A 43 -5.053 12.449 5.698 1.00 0.00 C ATOM 656 C ALA A 43 -4.638 12.630 4.234 1.00 0.00 C ATOM 657 O ALA A 43 -5.473 12.867 3.385 1.00 0.00 O ATOM 658 CB ALA A 43 -5.143 10.977 6.000 1.00 0.00 C ATOM 0 H ALA A 43 -7.193 12.477 5.884 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.291 12.960 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.196 10.496 5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.356 10.835 7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.942 10.532 5.407 1.00 0.00 H new ATOM 664 N VAL A 44 -3.346 12.508 4.041 1.00 0.00 N ATOM 665 CA VAL A 44 -2.645 12.629 2.725 1.00 0.00 C ATOM 666 C VAL A 44 -1.723 11.385 2.510 1.00 0.00 C ATOM 667 O VAL A 44 -1.667 10.790 1.456 1.00 0.00 O ATOM 668 CB VAL A 44 -1.836 13.949 2.784 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.139 14.242 1.452 1.00 0.00 C ATOM 670 CG2 VAL A 44 -2.790 15.106 3.164 1.00 0.00 C ATOM 0 H VAL A 44 -2.703 12.314 4.809 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.338 12.656 1.884 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.056 13.850 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.581 15.175 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.454 13.429 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.885 14.331 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.230 16.040 3.208 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.577 15.190 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.237 14.904 4.138 1.00 0.00 H new ATOM 680 N VAL A 45 -1.029 11.047 3.555 1.00 0.00 N ATOM 681 CA VAL A 45 -0.072 9.901 3.630 1.00 0.00 C ATOM 682 C VAL A 45 -0.727 8.770 4.389 1.00 0.00 C ATOM 683 O VAL A 45 -1.629 9.021 5.168 1.00 0.00 O ATOM 684 CB VAL A 45 1.204 10.345 4.402 1.00 0.00 C ATOM 685 CG1 VAL A 45 2.357 9.303 4.402 1.00 0.00 C ATOM 686 CG2 VAL A 45 1.704 11.581 3.747 1.00 0.00 C ATOM 0 H VAL A 45 -1.092 11.562 4.433 1.00 0.00 H new ATOM 0 HA VAL A 45 0.197 9.579 2.624 1.00 0.00 H new ATOM 0 HB VAL A 45 0.916 10.483 5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.204 9.698 4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.013 8.379 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.664 9.100 3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.602 11.927 4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.940 11.370 2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.937 12.354 3.796 1.00 0.00 H new ATOM 696 N GLU A 46 -0.241 7.588 4.111 1.00 0.00 N ATOM 697 CA GLU A 46 -0.760 6.374 4.792 1.00 0.00 C ATOM 698 C GLU A 46 0.248 5.674 5.698 1.00 0.00 C ATOM 699 O GLU A 46 0.125 5.555 6.898 1.00 0.00 O ATOM 700 CB GLU A 46 -1.261 5.191 3.864 1.00 0.00 C ATOM 701 CG GLU A 46 -2.602 5.420 3.285 1.00 0.00 C ATOM 702 CD GLU A 46 -3.426 4.113 3.174 1.00 0.00 C ATOM 703 OE1 GLU A 46 -3.035 3.040 2.740 1.00 0.00 O ATOM 704 OE2 GLU A 46 -4.553 4.269 3.581 1.00 0.00 O ATOM 0 H GLU A 46 0.501 7.415 3.433 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.588 6.837 5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.545 5.047 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.277 4.268 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.144 6.137 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.497 5.866 2.296 1.00 0.00 H new ATOM 711 N ILE A 47 1.222 5.249 4.982 1.00 0.00 N ATOM 712 CA ILE A 47 2.411 4.487 5.480 1.00 0.00 C ATOM 713 C ILE A 47 3.643 5.356 5.847 1.00 0.00 C ATOM 714 O ILE A 47 3.847 6.399 5.256 1.00 0.00 O ATOM 715 CB ILE A 47 2.660 3.457 4.318 1.00 0.00 C ATOM 716 CG1 ILE A 47 1.820 2.144 4.431 1.00 0.00 C ATOM 717 CG2 ILE A 47 4.070 3.116 4.079 1.00 0.00 C ATOM 718 CD1 ILE A 47 0.460 2.329 3.787 1.00 0.00 C ATOM 0 H ILE A 47 1.257 5.408 3.975 1.00 0.00 H new ATOM 0 HA ILE A 47 2.228 4.010 6.443 1.00 0.00 H new ATOM 0 HB ILE A 47 2.308 4.015 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.350 1.323 3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.699 1.871 5.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.137 2.400 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.623 4.018 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.496 2.676 4.981 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.113 1.406 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.074 3.136 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.587 2.579 2.734 1.00 0.00 H new ATOM 730 N PRO A 48 4.421 4.891 6.809 1.00 0.00 N ATOM 731 CA PRO A 48 5.568 3.956 6.664 1.00 0.00 C ATOM 732 C PRO A 48 5.063 2.546 7.006 1.00 0.00 C ATOM 733 O PRO A 48 3.922 2.345 7.387 1.00 0.00 O ATOM 734 CB PRO A 48 6.586 4.507 7.633 1.00 0.00 C ATOM 735 CG PRO A 48 5.670 4.732 8.846 1.00 0.00 C ATOM 736 CD PRO A 48 4.288 5.258 8.238 1.00 0.00 C ATOM 0 HA PRO A 48 6.008 3.877 5.670 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.393 3.804 7.840 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.049 5.428 7.279 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.527 3.809 9.408 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.100 5.460 9.534 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.428 4.778 8.704 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.165 6.333 8.374 1.00 0.00 H new ATOM 744 N SER A 49 5.967 1.645 6.865 1.00 0.00 N ATOM 745 CA SER A 49 5.667 0.206 7.127 1.00 0.00 C ATOM 746 C SER A 49 6.514 -0.393 8.242 1.00 0.00 C ATOM 747 O SER A 49 7.360 0.283 8.793 1.00 0.00 O ATOM 748 CB SER A 49 5.908 -0.521 5.844 1.00 0.00 C ATOM 749 OG SER A 49 5.210 0.264 4.874 1.00 0.00 O ATOM 0 H SER A 49 6.926 1.834 6.574 1.00 0.00 H new ATOM 0 HA SER A 49 4.635 0.112 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.972 -0.588 5.615 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.526 -1.541 5.884 1.00 0.00 H new ATOM 0 HG SER A 49 5.024 -0.283 4.082 1.00 0.00 H new ATOM 755 N PRO A 50 6.259 -1.649 8.560 1.00 0.00 N ATOM 756 CA PRO A 50 7.134 -2.439 9.451 1.00 0.00 C ATOM 757 C PRO A 50 8.206 -3.366 8.810 1.00 0.00 C ATOM 758 O PRO A 50 9.324 -3.390 9.282 1.00 0.00 O ATOM 759 CB PRO A 50 6.132 -3.214 10.316 1.00 0.00 C ATOM 760 CG PRO A 50 4.739 -3.119 9.539 1.00 0.00 C ATOM 761 CD PRO A 50 5.072 -2.468 8.163 1.00 0.00 C ATOM 0 HA PRO A 50 7.798 -1.763 9.989 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.442 -4.251 10.442 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.056 -2.781 11.313 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.294 -4.106 9.409 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.020 -2.516 10.094 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.309 -3.206 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.253 -1.860 7.778 1.00 0.00 H new ATOM 769 N VAL A 51 7.879 -4.128 7.788 1.00 0.00 N ATOM 770 CA VAL A 51 8.885 -5.032 7.169 1.00 0.00 C ATOM 771 C VAL A 51 8.980 -4.944 5.672 1.00 0.00 C ATOM 772 O VAL A 51 8.132 -4.423 4.984 1.00 0.00 O ATOM 773 CB VAL A 51 8.534 -6.480 7.592 1.00 0.00 C ATOM 774 CG1 VAL A 51 6.998 -6.741 7.615 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.086 -7.531 6.677 1.00 0.00 C ATOM 0 H VAL A 51 6.953 -4.157 7.361 1.00 0.00 H new ATOM 0 HA VAL A 51 9.865 -4.718 7.527 1.00 0.00 H new ATOM 0 HB VAL A 51 8.980 -6.556 8.584 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.808 -7.771 7.918 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.524 -6.061 8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.586 -6.574 6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.797 -8.517 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.689 -7.384 5.672 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.173 -7.457 6.652 1.00 0.00 H new ATOM 785 N LYS A 52 10.071 -5.549 5.306 1.00 0.00 N ATOM 786 CA LYS A 52 10.521 -5.680 3.913 1.00 0.00 C ATOM 787 C LYS A 52 10.677 -7.132 3.491 1.00 0.00 C ATOM 788 O LYS A 52 10.642 -8.038 4.303 1.00 0.00 O ATOM 789 CB LYS A 52 11.825 -4.953 3.794 1.00 0.00 C ATOM 790 CG LYS A 52 13.129 -5.622 4.361 1.00 0.00 C ATOM 791 CD LYS A 52 13.153 -5.773 5.916 1.00 0.00 C ATOM 792 CE LYS A 52 14.632 -6.031 6.377 1.00 0.00 C ATOM 793 NZ LYS A 52 15.488 -4.836 6.167 1.00 0.00 N ATOM 0 H LYS A 52 10.706 -5.985 5.974 1.00 0.00 H new ATOM 0 HA LYS A 52 9.771 -5.252 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.993 -4.751 2.736 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.709 -3.988 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.242 -6.608 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.990 -5.030 4.052 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.762 -4.872 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.512 -6.599 6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.642 -6.305 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.044 -6.875 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.128 -5.004 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.888 -4.011 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.048 -4.655 7.024 1.00 0.00 H new ATOM 807 N GLY A 53 10.882 -7.255 2.218 1.00 0.00 N ATOM 808 CA GLY A 53 11.072 -8.560 1.524 1.00 0.00 C ATOM 809 C GLY A 53 10.947 -8.035 0.113 1.00 0.00 C ATOM 810 O GLY A 53 11.695 -7.121 -0.202 1.00 0.00 O ATOM 0 H GLY A 53 10.929 -6.454 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.040 -9.019 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.310 -9.297 1.778 1.00 0.00 H new ATOM 814 N LYS A 54 10.072 -8.538 -0.707 1.00 0.00 N ATOM 815 CA LYS A 54 10.009 -7.953 -2.083 1.00 0.00 C ATOM 816 C LYS A 54 8.728 -7.154 -2.094 1.00 0.00 C ATOM 817 O LYS A 54 8.019 -6.988 -1.118 1.00 0.00 O ATOM 818 CB LYS A 54 9.976 -9.070 -3.202 1.00 0.00 C ATOM 819 CG LYS A 54 10.851 -8.566 -4.448 1.00 0.00 C ATOM 820 CD LYS A 54 10.741 -9.579 -5.593 1.00 0.00 C ATOM 821 CE LYS A 54 11.428 -9.027 -6.893 1.00 0.00 C ATOM 822 NZ LYS A 54 12.755 -8.500 -6.634 1.00 0.00 N ATOM 0 H LYS A 54 9.421 -9.296 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 54 10.889 -7.348 -2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.374 -10.007 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.950 -9.264 -3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.502 -7.588 -4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.893 -8.449 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.209 -10.519 -5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.692 -9.795 -5.794 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.494 -9.825 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.806 -8.243 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.201 -8.226 -7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.683 -7.668 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.333 -9.229 -6.169 1.00 0.00 H new ATOM 836 N VAL A 55 8.488 -6.674 -3.260 1.00 0.00 N ATOM 837 CA VAL A 55 7.307 -5.844 -3.564 1.00 0.00 C ATOM 838 C VAL A 55 6.863 -6.587 -4.794 1.00 0.00 C ATOM 839 O VAL A 55 6.905 -6.075 -5.892 1.00 0.00 O ATOM 840 CB VAL A 55 7.749 -4.438 -3.861 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.453 -3.672 -4.130 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.371 -3.879 -2.580 1.00 0.00 C ATOM 0 H VAL A 55 9.096 -6.831 -4.064 1.00 0.00 H new ATOM 0 HA VAL A 55 6.545 -5.728 -2.793 1.00 0.00 H new ATOM 0 HB VAL A 55 8.456 -4.372 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.686 -2.631 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.934 -4.121 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.814 -3.717 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.706 -2.856 -2.754 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.629 -3.887 -1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.222 -4.495 -2.290 1.00 0.00 H new ATOM 852 N LEU A 56 6.476 -7.800 -4.524 1.00 0.00 N ATOM 853 CA LEU A 56 5.994 -8.751 -5.579 1.00 0.00 C ATOM 854 C LEU A 56 5.340 -7.994 -6.743 1.00 0.00 C ATOM 855 O LEU A 56 5.977 -7.819 -7.762 1.00 0.00 O ATOM 856 CB LEU A 56 5.019 -9.736 -4.889 1.00 0.00 C ATOM 857 CG LEU A 56 5.792 -10.480 -3.737 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.838 -11.356 -2.909 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.931 -11.362 -4.296 1.00 0.00 C ATOM 0 H LEU A 56 6.472 -8.191 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 56 6.823 -9.305 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.161 -9.199 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.633 -10.455 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 56 6.224 -9.710 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.398 -11.859 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.065 -10.731 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.374 -12.101 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.443 -11.860 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.514 -12.110 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.641 -10.738 -4.840 1.00 0.00 H new ATOM 871 N GLU A 57 4.123 -7.564 -6.554 1.00 0.00 N ATOM 872 CA GLU A 57 3.395 -6.813 -7.620 1.00 0.00 C ATOM 873 C GLU A 57 2.509 -5.777 -6.937 1.00 0.00 C ATOM 874 O GLU A 57 2.287 -5.842 -5.740 1.00 0.00 O ATOM 875 CB GLU A 57 2.487 -7.741 -8.447 1.00 0.00 C ATOM 876 CG GLU A 57 3.286 -8.910 -9.045 1.00 0.00 C ATOM 877 CD GLU A 57 2.307 -9.815 -9.789 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.484 -10.383 -9.092 1.00 0.00 O ATOM 879 OE2 GLU A 57 2.439 -9.877 -10.996 1.00 0.00 O ATOM 0 H GLU A 57 3.593 -7.703 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 57 4.126 -6.357 -8.288 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.687 -8.129 -7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.014 -7.173 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.054 -8.539 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.797 -9.465 -8.258 1.00 0.00 H new ATOM 886 N ILE A 58 2.033 -4.859 -7.724 1.00 0.00 N ATOM 887 CA ILE A 58 1.147 -3.772 -7.252 1.00 0.00 C ATOM 888 C ILE A 58 0.077 -3.871 -8.343 1.00 0.00 C ATOM 889 O ILE A 58 0.430 -4.070 -9.491 1.00 0.00 O ATOM 890 CB ILE A 58 1.908 -2.438 -7.330 1.00 0.00 C ATOM 891 CG1 ILE A 58 3.321 -2.590 -6.654 1.00 0.00 C ATOM 892 CG2 ILE A 58 1.084 -1.317 -6.634 1.00 0.00 C ATOM 893 CD1 ILE A 58 4.156 -1.289 -6.782 1.00 0.00 C ATOM 0 H ILE A 58 2.234 -4.820 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 58 0.774 -3.836 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 58 2.051 -2.164 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.196 -2.841 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.860 -3.416 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.629 -0.375 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.121 -1.211 -7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.924 -1.579 -5.588 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.125 -1.430 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.302 -1.053 -7.836 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.628 -0.469 -6.296 1.00 0.00 H new ATOM 905 N LEU A 59 -1.161 -3.734 -7.982 1.00 0.00 N ATOM 906 CA LEU A 59 -2.247 -3.814 -8.991 1.00 0.00 C ATOM 907 C LEU A 59 -2.844 -2.435 -9.271 1.00 0.00 C ATOM 908 O LEU A 59 -3.287 -2.173 -10.371 1.00 0.00 O ATOM 909 CB LEU A 59 -3.340 -4.749 -8.467 1.00 0.00 C ATOM 910 CG LEU A 59 -2.800 -6.209 -8.343 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.129 -6.442 -6.966 1.00 0.00 C ATOM 912 CD2 LEU A 59 -3.985 -7.197 -8.443 1.00 0.00 C ATOM 0 H LEU A 59 -1.472 -3.569 -7.025 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.832 -4.198 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.689 -4.401 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.197 -4.728 -9.140 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.073 -6.365 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.763 -7.467 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.294 -5.751 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.857 -6.272 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.615 -8.219 -8.357 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.693 -6.999 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.484 -7.071 -9.404 1.00 0.00 H new ATOM 924 N VAL A 60 -2.846 -1.591 -8.281 1.00 0.00 N ATOM 925 CA VAL A 60 -3.416 -0.229 -8.468 1.00 0.00 C ATOM 926 C VAL A 60 -2.250 0.771 -8.510 1.00 0.00 C ATOM 927 O VAL A 60 -1.392 0.738 -7.649 1.00 0.00 O ATOM 928 CB VAL A 60 -4.354 0.081 -7.286 1.00 0.00 C ATOM 929 CG1 VAL A 60 -5.146 1.388 -7.535 1.00 0.00 C ATOM 930 CG2 VAL A 60 -5.342 -1.106 -7.082 1.00 0.00 C ATOM 0 H VAL A 60 -2.478 -1.784 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.986 -0.161 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.750 0.215 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.801 1.584 -6.686 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.450 2.218 -7.656 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.746 1.283 -8.439 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.006 -0.887 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.933 -1.247 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.779 -2.015 -6.870 1.00 0.00 H new ATOM 940 N PRO A 61 -2.244 1.624 -9.508 1.00 0.00 N ATOM 941 CA PRO A 61 -1.517 2.926 -9.495 1.00 0.00 C ATOM 942 C PRO A 61 -1.747 3.831 -8.265 1.00 0.00 C ATOM 943 O PRO A 61 -2.010 3.393 -7.161 1.00 0.00 O ATOM 944 CB PRO A 61 -1.933 3.594 -10.826 1.00 0.00 C ATOM 945 CG PRO A 61 -2.160 2.370 -11.750 1.00 0.00 C ATOM 946 CD PRO A 61 -2.938 1.407 -10.816 1.00 0.00 C ATOM 0 HA PRO A 61 -0.444 2.754 -9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.836 4.194 -10.716 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.156 4.255 -11.210 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.734 2.630 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.220 1.937 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.998 1.656 -10.763 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.870 0.371 -11.148 1.00 0.00 H new ATOM 954 N GLU A 62 -1.630 5.089 -8.562 1.00 0.00 N ATOM 955 CA GLU A 62 -1.774 6.240 -7.628 1.00 0.00 C ATOM 956 C GLU A 62 -2.728 7.248 -8.270 1.00 0.00 C ATOM 957 O GLU A 62 -2.590 8.452 -8.209 1.00 0.00 O ATOM 958 CB GLU A 62 -0.337 6.789 -7.434 1.00 0.00 C ATOM 959 CG GLU A 62 0.646 6.393 -8.651 1.00 0.00 C ATOM 960 CD GLU A 62 0.259 7.041 -9.992 1.00 0.00 C ATOM 961 OE1 GLU A 62 -0.751 6.639 -10.548 1.00 0.00 O ATOM 962 OE2 GLU A 62 1.019 7.900 -10.375 1.00 0.00 O ATOM 0 H GLU A 62 -1.419 5.392 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.196 5.986 -6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.376 7.874 -7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.073 6.404 -6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.664 6.687 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.647 5.309 -8.768 1.00 0.00 H new ATOM 969 N GLY A 63 -3.712 6.658 -8.861 1.00 0.00 N ATOM 970 CA GLY A 63 -4.758 7.458 -9.573 1.00 0.00 C ATOM 971 C GLY A 63 -6.185 6.937 -9.469 1.00 0.00 C ATOM 972 O GLY A 63 -7.095 7.591 -9.938 1.00 0.00 O ATOM 0 H GLY A 63 -3.849 5.648 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.735 8.476 -9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.489 7.513 -10.628 1.00 0.00 H new ATOM 976 N THR A 64 -6.392 5.790 -8.889 1.00 0.00 N ATOM 977 CA THR A 64 -7.791 5.259 -8.776 1.00 0.00 C ATOM 978 C THR A 64 -8.031 5.070 -7.270 1.00 0.00 C ATOM 979 O THR A 64 -7.099 5.212 -6.496 1.00 0.00 O ATOM 980 CB THR A 64 -7.833 3.929 -9.581 1.00 0.00 C ATOM 981 OG1 THR A 64 -7.004 4.185 -10.715 1.00 0.00 O ATOM 982 CG2 THR A 64 -9.207 3.664 -10.232 1.00 0.00 C ATOM 0 H THR A 64 -5.665 5.196 -8.489 1.00 0.00 H new ATOM 0 HA THR A 64 -8.569 5.908 -9.178 1.00 0.00 H new ATOM 0 HB THR A 64 -7.564 3.108 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.972 3.388 -11.284 1.00 0.00 H new ATOM 0 HG21 THR A 64 -9.175 2.722 -10.780 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.972 3.607 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.447 4.475 -10.919 1.00 0.00 H new ATOM 990 N VAL A 65 -9.234 4.752 -6.887 1.00 0.00 N ATOM 991 CA VAL A 65 -9.530 4.557 -5.445 1.00 0.00 C ATOM 992 C VAL A 65 -9.694 3.048 -5.339 1.00 0.00 C ATOM 993 O VAL A 65 -10.208 2.418 -6.246 1.00 0.00 O ATOM 994 CB VAL A 65 -10.840 5.311 -5.108 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.144 5.219 -3.601 1.00 0.00 C ATOM 996 CG2 VAL A 65 -10.739 6.801 -5.510 1.00 0.00 C ATOM 0 H VAL A 65 -10.027 4.618 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.772 4.932 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.645 4.841 -5.673 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.068 5.755 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.255 4.173 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.325 5.664 -3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.672 7.308 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.917 7.269 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.557 6.877 -6.582 1.00 0.00 H new ATOM 1006 N ALA A 66 -9.257 2.519 -4.240 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.340 1.062 -3.970 1.00 0.00 C ATOM 1008 C ALA A 66 -10.198 0.925 -2.746 1.00 0.00 C ATOM 1009 O ALA A 66 -10.419 1.891 -2.052 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.945 0.585 -3.723 1.00 0.00 C ATOM 0 H ALA A 66 -8.828 3.057 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.766 0.478 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.957 -0.486 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.333 0.780 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.526 1.113 -2.866 1.00 0.00 H new ATOM 1016 N THR A 67 -10.647 -0.253 -2.508 1.00 0.00 N ATOM 1017 CA THR A 67 -11.497 -0.511 -1.332 1.00 0.00 C ATOM 1018 C THR A 67 -10.650 -1.329 -0.362 1.00 0.00 C ATOM 1019 O THR A 67 -9.438 -1.417 -0.444 1.00 0.00 O ATOM 1020 CB THR A 67 -12.738 -1.261 -1.887 1.00 0.00 C ATOM 1021 OG1 THR A 67 -12.190 -2.169 -2.847 1.00 0.00 O ATOM 1022 CG2 THR A 67 -13.677 -0.320 -2.661 1.00 0.00 C ATOM 0 H THR A 67 -10.459 -1.070 -3.089 1.00 0.00 H new ATOM 0 HA THR A 67 -11.844 0.369 -0.790 1.00 0.00 H new ATOM 0 HB THR A 67 -13.306 -1.718 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 67 -12.913 -2.692 -3.252 1.00 0.00 H new ATOM 0 HG21 THR A 67 -14.532 -0.884 -3.032 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.025 0.472 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 67 -13.140 0.120 -3.501 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.383 -1.898 0.525 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.883 -2.781 1.594 1.00 0.00 C ATOM 1032 C VAL A 68 -11.719 -3.983 1.092 1.00 0.00 C ATOM 1033 O VAL A 68 -12.749 -3.828 0.453 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.410 -2.438 2.926 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.079 -3.555 3.962 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.698 -1.212 3.268 1.00 0.00 C ATOM 0 H VAL A 68 -12.395 -1.776 0.554 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.802 -2.829 1.721 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.494 -2.327 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.479 -3.277 4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.528 -4.495 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.998 -3.675 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.019 -0.867 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.626 -1.406 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -10.917 -0.445 2.525 1.00 0.00 H new ATOM 1046 N GLY A 69 -11.269 -5.160 1.380 1.00 0.00 N ATOM 1047 CA GLY A 69 -12.041 -6.347 0.915 1.00 0.00 C ATOM 1048 C GLY A 69 -11.215 -6.753 -0.306 1.00 0.00 C ATOM 1049 O GLY A 69 -11.013 -7.917 -0.587 1.00 0.00 O ATOM 0 H GLY A 69 -10.418 -5.359 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.084 -7.135 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.070 -6.097 0.656 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.769 -5.735 -0.993 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.939 -5.869 -2.205 1.00 0.00 C ATOM 1055 C GLN A 70 -8.537 -5.609 -1.631 1.00 0.00 C ATOM 1056 O GLN A 70 -8.374 -5.034 -0.567 1.00 0.00 O ATOM 1057 CB GLN A 70 -10.289 -4.753 -3.190 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.688 -5.008 -4.583 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.904 -3.735 -5.393 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -10.999 -3.418 -5.804 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.892 -2.965 -5.645 1.00 0.00 N ATOM 0 H GLN A 70 -10.964 -4.767 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.054 -6.816 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.373 -4.668 -3.272 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.923 -3.801 -2.805 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.626 -5.244 -4.509 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.171 -5.859 -5.063 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.963 -3.216 -5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.025 -2.108 -6.182 1.00 0.00 H new ATOM 1070 N THR A 71 -7.576 -6.044 -2.377 1.00 0.00 N ATOM 1071 CA THR A 71 -6.164 -5.868 -1.981 1.00 0.00 C ATOM 1072 C THR A 71 -5.709 -4.751 -2.937 1.00 0.00 C ATOM 1073 O THR A 71 -6.476 -4.204 -3.712 1.00 0.00 O ATOM 1074 CB THR A 71 -5.433 -7.171 -2.248 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.340 -8.180 -1.827 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.226 -7.416 -1.323 1.00 0.00 C ATOM 0 H THR A 71 -7.712 -6.526 -3.266 1.00 0.00 H new ATOM 0 HA THR A 71 -5.988 -5.620 -0.934 1.00 0.00 H new ATOM 0 HB THR A 71 -5.107 -7.161 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.938 -9.062 -1.970 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.759 -8.367 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.502 -6.611 -1.449 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.562 -7.444 -0.286 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.451 -4.464 -2.852 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.844 -3.390 -3.705 1.00 0.00 C ATOM 1086 C LEU A 72 -2.431 -3.844 -4.044 1.00 0.00 C ATOM 1087 O LEU A 72 -2.047 -3.959 -5.190 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.834 -2.077 -2.906 1.00 0.00 C ATOM 1089 CG LEU A 72 -3.449 -0.835 -3.758 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -4.722 0.021 -3.960 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.476 0.043 -2.947 1.00 0.00 C ATOM 0 H LEU A 72 -3.797 -4.928 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.406 -3.220 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.821 -1.918 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.132 -2.171 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.010 -1.159 -4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.478 0.900 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.479 -0.569 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.107 0.335 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.199 0.918 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.959 0.364 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.581 -0.531 -2.707 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.703 -4.074 -2.989 1.00 0.00 N ATOM 1104 CA ILE A 73 -0.292 -4.527 -3.069 1.00 0.00 C ATOM 1105 C ILE A 73 -0.151 -5.627 -2.004 1.00 0.00 C ATOM 1106 O ILE A 73 -1.001 -5.742 -1.132 1.00 0.00 O ATOM 1107 CB ILE A 73 0.615 -3.297 -2.773 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.114 -3.714 -2.841 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.259 -2.716 -1.358 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.025 -2.473 -2.795 1.00 0.00 C ATOM 0 H ILE A 73 -2.046 -3.961 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.005 -4.922 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 73 0.443 -2.524 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.351 -4.377 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.300 -4.274 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.893 -1.854 -1.148 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.787 -2.409 -1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.423 -3.481 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.068 -2.785 -2.844 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.800 -1.825 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.852 -1.929 -1.866 1.00 0.00 H new ATOM 1122 N THR A 74 0.897 -6.381 -2.133 1.00 0.00 N ATOM 1123 CA THR A 74 1.204 -7.480 -1.183 1.00 0.00 C ATOM 1124 C THR A 74 2.704 -7.313 -0.932 1.00 0.00 C ATOM 1125 O THR A 74 3.412 -6.705 -1.721 1.00 0.00 O ATOM 1126 CB THR A 74 0.854 -8.844 -1.850 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.461 -9.865 -1.074 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.553 -9.009 -3.188 1.00 0.00 C ATOM 0 H THR A 74 1.578 -6.277 -2.885 1.00 0.00 H new ATOM 0 HA THR A 74 0.638 -7.453 -0.252 1.00 0.00 H new ATOM 0 HB THR A 74 -0.231 -8.890 -1.942 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.294 -9.696 -0.123 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.284 -9.972 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.245 -8.209 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.632 -8.965 -3.043 1.00 0.00 H new ATOM 1136 N LEU A 75 3.108 -7.869 0.158 1.00 0.00 N ATOM 1137 CA LEU A 75 4.533 -7.823 0.610 1.00 0.00 C ATOM 1138 C LEU A 75 4.893 -9.203 1.154 1.00 0.00 C ATOM 1139 O LEU A 75 4.068 -9.891 1.745 1.00 0.00 O ATOM 1140 CB LEU A 75 4.621 -6.770 1.680 1.00 0.00 C ATOM 1141 CG LEU A 75 5.896 -5.876 1.687 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.676 -4.736 2.709 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.141 -6.645 2.166 1.00 0.00 C ATOM 0 H LEU A 75 2.491 -8.379 0.790 1.00 0.00 H new ATOM 0 HA LEU A 75 5.225 -7.576 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.751 -6.119 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.548 -7.264 2.649 1.00 0.00 H new ATOM 0 HG LEU A 75 6.056 -5.522 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.557 -4.094 2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.806 -4.148 2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.510 -5.162 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.006 -5.981 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.976 -7.008 3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.324 -7.491 1.503 1.00 0.00 H new ATOM 1155 N ASP A 76 6.116 -9.572 0.977 1.00 0.00 N ATOM 1156 CA ASP A 76 6.589 -10.885 1.461 1.00 0.00 C ATOM 1157 C ASP A 76 7.613 -10.544 2.507 1.00 0.00 C ATOM 1158 O ASP A 76 8.147 -9.452 2.541 1.00 0.00 O ATOM 1159 CB ASP A 76 7.185 -11.654 0.275 1.00 0.00 C ATOM 1160 CG ASP A 76 8.507 -11.121 -0.239 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.501 -11.165 0.459 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.443 -10.663 -1.362 1.00 0.00 O ATOM 0 H ASP A 76 6.825 -9.009 0.507 1.00 0.00 H new ATOM 0 HA ASP A 76 5.811 -11.523 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.320 -12.695 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.465 -11.644 -0.543 1.00 0.00 H new ATOM 1167 N ALA A 77 7.835 -11.487 3.359 1.00 0.00 N ATOM 1168 CA ALA A 77 8.822 -11.295 4.441 1.00 0.00 C ATOM 1169 C ALA A 77 9.522 -12.638 4.493 1.00 0.00 C ATOM 1170 O ALA A 77 8.844 -13.644 4.387 1.00 0.00 O ATOM 1171 CB ALA A 77 8.150 -11.043 5.778 1.00 0.00 C ATOM 0 H ALA A 77 7.370 -12.395 3.354 1.00 0.00 H new ATOM 0 HA ALA A 77 9.474 -10.441 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.910 -10.907 6.547 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.535 -10.145 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.521 -11.895 6.036 1.00 0.00 H new ATOM 1177 N PRO A 78 10.817 -12.659 4.655 1.00 0.00 N ATOM 1178 CA PRO A 78 11.564 -13.926 4.849 1.00 0.00 C ATOM 1179 C PRO A 78 11.260 -14.520 6.222 1.00 0.00 C ATOM 1180 O PRO A 78 11.161 -15.718 6.376 1.00 0.00 O ATOM 1181 CB PRO A 78 13.039 -13.518 4.639 1.00 0.00 C ATOM 1182 CG PRO A 78 13.077 -12.027 5.113 1.00 0.00 C ATOM 1183 CD PRO A 78 11.698 -11.453 4.645 1.00 0.00 C ATOM 0 HA PRO A 78 11.288 -14.722 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.715 -14.142 5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.338 -13.615 3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.195 -11.954 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.909 -11.485 4.664 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.332 -10.679 5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.761 -11.007 3.653 1.00 0.00 H new ATOM 1191 N GLY A 79 11.122 -13.663 7.190 1.00 0.00 N ATOM 1192 CA GLY A 79 10.824 -14.172 8.562 1.00 0.00 C ATOM 1193 C GLY A 79 9.531 -13.610 9.140 1.00 0.00 C ATOM 1194 O GLY A 79 9.471 -13.551 10.352 1.00 0.00 O ATOM 0 H GLY A 79 11.200 -12.650 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.760 -15.260 8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.652 -13.919 9.225 1.00 0.00 H new ATOM 1198 N TYR A 80 8.578 -13.237 8.317 1.00 0.00 N ATOM 1199 CA TYR A 80 7.279 -12.663 8.810 1.00 0.00 C ATOM 1200 C TYR A 80 6.165 -13.062 7.817 1.00 0.00 C ATOM 1201 O TYR A 80 5.638 -12.139 7.221 1.00 0.00 O ATOM 1202 CB TYR A 80 7.388 -11.056 8.932 1.00 0.00 C ATOM 1203 CG TYR A 80 8.575 -10.590 9.820 1.00 0.00 C ATOM 1204 CD1 TYR A 80 8.800 -11.140 11.058 1.00 0.00 C ATOM 1205 CD2 TYR A 80 9.457 -9.602 9.413 1.00 0.00 C ATOM 1206 CE1 TYR A 80 9.859 -10.739 11.843 1.00 0.00 C ATOM 1207 CE2 TYR A 80 10.521 -9.194 10.189 1.00 0.00 C ATOM 1208 CZ TYR A 80 10.725 -9.760 11.418 1.00 0.00 C ATOM 1209 OH TYR A 80 11.787 -9.352 12.196 1.00 0.00 O ATOM 1210 OXT TYR A 80 5.847 -14.228 7.649 1.00 0.00 O ATOM 0 H TYR A 80 8.646 -13.307 7.302 1.00 0.00 H new ATOM 0 HA TYR A 80 7.046 -13.055 9.800 1.00 0.00 H new ATOM 0 HB2 TYR A 80 7.498 -10.629 7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 80 6.458 -10.665 9.345 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.131 -11.905 11.425 1.00 0.00 H new ATOM 0 HD2 TYR A 80 9.305 -9.134 8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.011 -11.201 12.807 1.00 0.00 H new ATOM 0 HE2 TYR A 80 11.192 -8.429 9.828 1.00 0.00 H new ATOM 0 HH TYR A 80 12.287 -8.652 11.726 1.00 0.00 H new TER 1220 TYR A 80