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 67 THR OG1 : rot -118:sc= -0.924 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.43 K(o=-0.49,f=-3.8) USER MOD Single : A 1 ALA N :NH3+ -123:sc= 0.297 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= 1.51 (180deg=-1.28) USER MOD Single : A 14 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-3.6!) USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= -0.169 (180deg=-1.42!) USER MOD Single : A 24 LYS NZ :NH3+ 155:sc= 0.71 (180deg=-0.473) USER MOD Single : A 30 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.07) USER MOD Single : A 36 CYS SG : rot -138:sc= -3.82! USER MOD Single : A 39 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : A 40 ASN : amide:sc= -3.41 K(o=-3.4,f=-5.8!) USER MOD Single : A 42 LYS NZ :NH3+ 165:sc= -0.0556 (180deg=-0.351) USER MOD Single : A 49 SER OG : rot -100:sc= -0.618 USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= -0.887 (180deg=-3.32!) USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -2.69! (180deg=-9.1!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.484 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.904 -13.039 5.070 1.00 0.00 N ATOM 2 CA ALA A 1 1.452 -12.068 4.066 1.00 0.00 C ATOM 3 C ALA A 1 1.126 -10.686 4.605 1.00 0.00 C ATOM 4 O ALA A 1 0.576 -10.615 5.682 1.00 0.00 O ATOM 5 CB ALA A 1 0.784 -12.180 2.675 1.00 0.00 C ATOM 0 H1 ALA A 1 1.668 -13.659 5.407 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.502 -12.517 5.874 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.161 -13.616 4.626 1.00 0.00 H new ATOM 0 HA ALA A 1 2.515 -12.268 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.228 -11.450 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.938 -13.183 2.277 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -0.285 -11.986 2.768 1.00 0.00 H new ATOM 13 N PHE A 2 1.459 -9.667 3.864 1.00 0.00 N ATOM 14 CA PHE A 2 1.182 -8.263 4.325 1.00 0.00 C ATOM 15 C PHE A 2 0.397 -7.676 3.151 1.00 0.00 C ATOM 16 O PHE A 2 0.874 -7.773 2.033 1.00 0.00 O ATOM 17 CB PHE A 2 2.550 -7.566 4.560 1.00 0.00 C ATOM 18 CG PHE A 2 2.511 -6.392 5.557 1.00 0.00 C ATOM 19 CD1 PHE A 2 1.345 -5.732 5.895 1.00 0.00 C ATOM 20 CD2 PHE A 2 3.699 -5.977 6.139 1.00 0.00 C ATOM 21 CE1 PHE A 2 1.362 -4.688 6.791 1.00 0.00 C ATOM 22 CE2 PHE A 2 3.718 -4.928 7.035 1.00 0.00 C ATOM 23 CZ PHE A 2 2.545 -4.278 7.363 1.00 0.00 C ATOM 0 H PHE A 2 1.913 -9.739 2.954 1.00 0.00 H new ATOM 0 HA PHE A 2 0.625 -8.161 5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.263 -8.307 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 2 2.925 -7.201 3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 2 0.410 -6.039 5.451 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.621 -6.481 5.888 1.00 0.00 H new ATOM 0 HE1 PHE A 2 0.440 -4.187 7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.651 -4.615 7.480 1.00 0.00 H new ATOM 0 HZ PHE A 2 2.555 -3.455 8.062 1.00 0.00 H new ATOM 33 N GLU A 3 -0.739 -7.113 3.437 1.00 0.00 N ATOM 34 CA GLU A 3 -1.630 -6.499 2.428 1.00 0.00 C ATOM 35 C GLU A 3 -1.650 -4.962 2.541 1.00 0.00 C ATOM 36 O GLU A 3 -0.686 -4.339 2.945 1.00 0.00 O ATOM 37 CB GLU A 3 -3.044 -7.203 2.647 1.00 0.00 C ATOM 38 CG GLU A 3 -3.383 -7.423 4.148 1.00 0.00 C ATOM 39 CD GLU A 3 -3.145 -6.128 4.918 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.881 -5.204 4.644 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.228 -6.157 5.715 1.00 0.00 O ATOM 0 H GLU A 3 -1.103 -7.053 4.388 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.289 -6.660 1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.823 -6.593 2.189 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.049 -8.165 2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.421 -7.737 4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.765 -8.221 4.558 1.00 0.00 H new ATOM 48 N PHE A 4 -2.768 -4.431 2.148 1.00 0.00 N ATOM 49 CA PHE A 4 -3.031 -2.952 2.159 1.00 0.00 C ATOM 50 C PHE A 4 -4.118 -2.498 3.159 1.00 0.00 C ATOM 51 O PHE A 4 -3.879 -1.551 3.890 1.00 0.00 O ATOM 52 CB PHE A 4 -3.423 -2.540 0.719 1.00 0.00 C ATOM 53 CG PHE A 4 -3.557 -1.019 0.495 1.00 0.00 C ATOM 54 CD1 PHE A 4 -2.724 -0.111 1.127 1.00 0.00 C ATOM 55 CD2 PHE A 4 -4.505 -0.543 -0.393 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.844 1.237 0.872 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.626 0.807 -0.645 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.789 1.701 -0.015 1.00 0.00 C ATOM 0 H PHE A 4 -3.553 -4.982 1.801 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.120 -2.457 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.676 -2.930 0.028 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.371 -3.015 0.465 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.977 -0.462 1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.160 -1.239 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.191 1.936 1.372 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.376 1.163 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.873 2.759 -0.215 1.00 0.00 H new ATOM 68 N LYS A 5 -5.281 -3.113 3.178 1.00 0.00 N ATOM 69 CA LYS A 5 -6.340 -2.702 4.139 1.00 0.00 C ATOM 70 C LYS A 5 -6.786 -4.019 4.748 1.00 0.00 C ATOM 71 O LYS A 5 -6.694 -5.064 4.130 1.00 0.00 O ATOM 72 CB LYS A 5 -7.542 -2.068 3.437 1.00 0.00 C ATOM 73 CG LYS A 5 -7.108 -0.924 2.497 1.00 0.00 C ATOM 74 CD LYS A 5 -6.480 0.262 3.358 1.00 0.00 C ATOM 75 CE LYS A 5 -5.857 1.363 2.455 1.00 0.00 C ATOM 76 NZ LYS A 5 -4.619 1.930 3.048 1.00 0.00 N ATOM 0 H LYS A 5 -5.536 -3.885 2.562 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.968 -1.965 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -8.074 -2.829 2.865 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.239 -1.684 4.182 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.378 -1.290 1.775 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.964 -0.561 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.253 0.703 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.715 -0.138 4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.631 0.944 1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.584 2.160 2.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.003 2.286 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.867 2.711 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.119 1.190 3.581 1.00 0.00 H new ATOM 90 N LEU A 6 -7.306 -3.886 5.928 1.00 0.00 N ATOM 91 CA LEU A 6 -7.780 -5.062 6.682 1.00 0.00 C ATOM 92 C LEU A 6 -9.199 -5.377 6.213 1.00 0.00 C ATOM 93 O LEU A 6 -9.774 -4.640 5.438 1.00 0.00 O ATOM 94 CB LEU A 6 -7.757 -4.678 8.163 1.00 0.00 C ATOM 95 CG LEU A 6 -6.345 -4.201 8.593 1.00 0.00 C ATOM 96 CD1 LEU A 6 -6.416 -3.685 10.044 1.00 0.00 C ATOM 97 CD2 LEU A 6 -5.313 -5.347 8.470 1.00 0.00 C ATOM 0 H LEU A 6 -7.423 -2.994 6.408 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.159 -5.944 6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.484 -3.887 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -8.056 -5.534 8.769 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.019 -3.396 7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.429 -3.346 10.358 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.120 -2.854 10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.750 -4.489 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.331 -4.987 8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.612 -6.176 9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.268 -5.686 7.435 1.00 0.00 H new ATOM 109 N PRO A 7 -9.745 -6.471 6.678 1.00 0.00 N ATOM 110 CA PRO A 7 -11.204 -6.721 6.621 1.00 0.00 C ATOM 111 C PRO A 7 -11.958 -5.551 7.271 1.00 0.00 C ATOM 112 O PRO A 7 -12.260 -5.624 8.446 1.00 0.00 O ATOM 113 CB PRO A 7 -11.374 -8.079 7.342 1.00 0.00 C ATOM 114 CG PRO A 7 -10.014 -8.777 7.066 1.00 0.00 C ATOM 115 CD PRO A 7 -9.019 -7.616 7.305 1.00 0.00 C ATOM 0 HA PRO A 7 -11.620 -6.778 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.556 -7.952 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.212 -8.649 6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.838 -9.614 7.741 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.952 -9.168 6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.828 -7.450 8.365 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.054 -7.799 6.832 1.00 0.00 H new ATOM 123 N ASP A 8 -12.223 -4.530 6.500 1.00 0.00 N ATOM 124 CA ASP A 8 -12.946 -3.352 7.018 1.00 0.00 C ATOM 125 C ASP A 8 -14.169 -3.213 6.116 1.00 0.00 C ATOM 126 O ASP A 8 -15.220 -3.665 6.526 1.00 0.00 O ATOM 127 CB ASP A 8 -12.056 -2.158 6.893 1.00 0.00 C ATOM 128 CG ASP A 8 -12.658 -0.975 7.646 1.00 0.00 C ATOM 129 OD1 ASP A 8 -13.791 -0.639 7.330 1.00 0.00 O ATOM 130 OD2 ASP A 8 -11.927 -0.491 8.488 1.00 0.00 O ATOM 0 H ASP A 8 -11.960 -4.470 5.516 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.236 -3.446 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.068 -2.388 7.291 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.924 -1.901 5.842 1.00 0.00 H new ATOM 135 N ILE A 9 -14.030 -2.639 4.934 1.00 0.00 N ATOM 136 CA ILE A 9 -15.203 -2.467 3.998 1.00 0.00 C ATOM 137 C ILE A 9 -16.475 -2.136 4.820 1.00 0.00 C ATOM 138 O ILE A 9 -17.566 -2.597 4.532 1.00 0.00 O ATOM 139 CB ILE A 9 -15.419 -3.805 3.132 1.00 0.00 C ATOM 140 CG1 ILE A 9 -15.582 -5.076 4.036 1.00 0.00 C ATOM 141 CG2 ILE A 9 -14.247 -4.002 2.121 1.00 0.00 C ATOM 142 CD1 ILE A 9 -15.865 -6.336 3.181 1.00 0.00 C ATOM 0 H ILE A 9 -13.146 -2.279 4.575 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.003 -1.645 3.311 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.349 -3.680 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.676 -5.227 4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.398 -4.921 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.412 -4.913 1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -14.202 -3.148 1.445 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.306 -4.083 2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.973 -7.202 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.785 -6.192 2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.036 -6.502 2.493 1.00 0.00 H new ATOM 154 N GLY A 10 -16.277 -1.332 5.830 1.00 0.00 N ATOM 155 CA GLY A 10 -17.383 -0.925 6.726 1.00 0.00 C ATOM 156 C GLY A 10 -17.687 0.548 6.561 1.00 0.00 C ATOM 157 O GLY A 10 -17.502 1.126 5.505 1.00 0.00 O ATOM 0 H GLY A 10 -15.370 -0.934 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -18.274 -1.513 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -17.114 -1.133 7.762 1.00 0.00 H new ATOM 161 N GLU A 11 -18.155 1.125 7.627 1.00 0.00 N ATOM 162 CA GLU A 11 -18.508 2.554 7.647 1.00 0.00 C ATOM 163 C GLU A 11 -17.252 3.218 8.199 1.00 0.00 C ATOM 164 O GLU A 11 -16.642 2.715 9.123 1.00 0.00 O ATOM 165 CB GLU A 11 -19.677 2.664 8.571 1.00 0.00 C ATOM 166 CG GLU A 11 -20.862 1.827 8.033 1.00 0.00 C ATOM 167 CD GLU A 11 -21.919 1.778 9.127 1.00 0.00 C ATOM 168 OE1 GLU A 11 -22.451 2.837 9.401 1.00 0.00 O ATOM 169 OE2 GLU A 11 -22.108 0.679 9.616 1.00 0.00 O ATOM 0 H GLU A 11 -18.310 0.642 8.512 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.785 3.008 6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.398 2.316 9.566 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.975 3.708 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.268 2.276 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.534 0.821 7.771 1.00 0.00 H new ATOM 176 N GLY A 12 -16.907 4.330 7.631 1.00 0.00 N ATOM 177 CA GLY A 12 -15.697 5.072 8.075 1.00 0.00 C ATOM 178 C GLY A 12 -14.836 5.142 6.824 1.00 0.00 C ATOM 179 O GLY A 12 -14.836 6.167 6.175 1.00 0.00 O ATOM 0 H GLY A 12 -17.418 4.767 6.864 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.950 6.066 8.443 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.184 4.553 8.885 1.00 0.00 H new ATOM 183 N ILE A 13 -14.150 4.079 6.508 1.00 0.00 N ATOM 184 CA ILE A 13 -13.278 4.059 5.295 1.00 0.00 C ATOM 185 C ILE A 13 -13.643 2.768 4.541 1.00 0.00 C ATOM 186 O ILE A 13 -13.739 1.731 5.162 1.00 0.00 O ATOM 187 CB ILE A 13 -11.809 4.062 5.745 1.00 0.00 C ATOM 188 CG1 ILE A 13 -11.414 5.326 6.607 1.00 0.00 C ATOM 189 CG2 ILE A 13 -10.854 3.909 4.539 1.00 0.00 C ATOM 190 CD1 ILE A 13 -11.513 6.628 5.781 1.00 0.00 C ATOM 0 H ILE A 13 -14.155 3.211 7.044 1.00 0.00 H new ATOM 0 HA ILE A 13 -13.420 4.925 4.648 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.700 3.196 6.398 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -12.069 5.394 7.476 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -10.397 5.208 6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -9.822 3.915 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.059 2.967 4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.007 4.737 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.234 7.477 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.839 6.569 4.927 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -12.536 6.758 5.428 1.00 0.00 H new ATOM 202 N HIS A 14 -13.849 2.819 3.261 1.00 0.00 N ATOM 203 CA HIS A 14 -14.198 1.579 2.497 1.00 0.00 C ATOM 204 C HIS A 14 -13.271 1.502 1.278 1.00 0.00 C ATOM 205 O HIS A 14 -13.090 0.454 0.677 1.00 0.00 O ATOM 206 CB HIS A 14 -15.685 1.668 2.090 1.00 0.00 C ATOM 207 CG HIS A 14 -16.162 0.363 1.440 1.00 0.00 C ATOM 208 ND1 HIS A 14 -15.633 -0.175 0.393 1.00 0.00 N ATOM 209 CD2 HIS A 14 -17.208 -0.484 1.768 1.00 0.00 C ATOM 210 CE1 HIS A 14 -16.272 -1.263 0.089 1.00 0.00 C ATOM 211 NE2 HIS A 14 -17.257 -1.492 0.921 1.00 0.00 N ATOM 0 H HIS A 14 -13.792 3.669 2.700 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.062 0.675 3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -16.293 1.883 2.969 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -15.826 2.496 1.395 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -14.833 0.198 -0.118 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.885 -0.339 2.597 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -16.022 -1.900 -0.746 1.00 0.00 H new ATOM 219 N GLU A 15 -12.708 2.617 0.941 1.00 0.00 N ATOM 220 CA GLU A 15 -11.791 2.762 -0.205 1.00 0.00 C ATOM 221 C GLU A 15 -10.530 3.501 0.211 1.00 0.00 C ATOM 222 O GLU A 15 -10.353 3.927 1.337 1.00 0.00 O ATOM 223 CB GLU A 15 -12.558 3.531 -1.307 1.00 0.00 C ATOM 224 CG GLU A 15 -13.017 4.928 -0.752 1.00 0.00 C ATOM 225 CD GLU A 15 -14.111 4.770 0.305 1.00 0.00 C ATOM 226 OE1 GLU A 15 -15.178 4.364 -0.097 1.00 0.00 O ATOM 227 OE2 GLU A 15 -13.830 5.041 1.461 1.00 0.00 O ATOM 0 H GLU A 15 -12.859 3.488 1.450 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.474 1.788 -0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.921 3.667 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.424 2.955 -1.631 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.163 5.449 -0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.386 5.545 -1.572 1.00 0.00 H new ATOM 234 N GLY A 16 -9.666 3.628 -0.738 1.00 0.00 N ATOM 235 CA GLY A 16 -8.378 4.327 -0.511 1.00 0.00 C ATOM 236 C GLY A 16 -8.237 5.275 -1.692 1.00 0.00 C ATOM 237 O GLY A 16 -8.313 4.817 -2.817 1.00 0.00 O ATOM 0 H GLY A 16 -9.796 3.271 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.384 4.870 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.548 3.622 -0.468 1.00 0.00 H new ATOM 241 N GLU A 17 -8.044 6.543 -1.442 1.00 0.00 N ATOM 242 CA GLU A 17 -7.897 7.536 -2.535 1.00 0.00 C ATOM 243 C GLU A 17 -6.382 7.639 -2.499 1.00 0.00 C ATOM 244 O GLU A 17 -5.836 8.373 -1.702 1.00 0.00 O ATOM 245 CB GLU A 17 -8.587 8.846 -2.109 1.00 0.00 C ATOM 246 CG GLU A 17 -8.706 9.801 -3.321 1.00 0.00 C ATOM 247 CD GLU A 17 -9.483 11.046 -2.896 1.00 0.00 C ATOM 248 OE1 GLU A 17 -8.892 11.845 -2.193 1.00 0.00 O ATOM 249 OE2 GLU A 17 -10.628 11.112 -3.304 1.00 0.00 O ATOM 0 H GLU A 17 -7.981 6.936 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.321 7.302 -3.511 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.577 8.631 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.017 9.325 -1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.715 10.079 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.215 9.302 -4.145 1.00 0.00 H new ATOM 256 N ILE A 18 -5.732 6.906 -3.349 1.00 0.00 N ATOM 257 CA ILE A 18 -4.272 6.921 -3.401 1.00 0.00 C ATOM 258 C ILE A 18 -3.958 8.150 -4.233 1.00 0.00 C ATOM 259 O ILE A 18 -4.427 8.307 -5.345 1.00 0.00 O ATOM 260 CB ILE A 18 -3.874 5.602 -4.051 1.00 0.00 C ATOM 261 CG1 ILE A 18 -4.437 4.435 -3.198 1.00 0.00 C ATOM 262 CG2 ILE A 18 -2.389 5.565 -4.084 1.00 0.00 C ATOM 263 CD1 ILE A 18 -5.327 3.541 -4.049 1.00 0.00 C ATOM 0 H ILE A 18 -6.175 6.283 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.737 6.987 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.271 5.508 -5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.616 3.851 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.006 4.832 -2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.058 4.634 -4.543 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.017 6.409 -4.665 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.001 5.626 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.715 2.726 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.158 4.125 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.747 3.130 -4.875 1.00 0.00 H new ATOM 275 N VAL A 19 -3.157 8.976 -3.631 1.00 0.00 N ATOM 276 CA VAL A 19 -2.740 10.233 -4.275 1.00 0.00 C ATOM 277 C VAL A 19 -1.519 9.814 -5.108 1.00 0.00 C ATOM 278 O VAL A 19 -1.582 9.894 -6.318 1.00 0.00 O ATOM 279 CB VAL A 19 -2.404 11.240 -3.129 1.00 0.00 C ATOM 280 CG1 VAL A 19 -2.263 12.689 -3.651 1.00 0.00 C ATOM 281 CG2 VAL A 19 -3.460 11.163 -1.993 1.00 0.00 C ATOM 0 H VAL A 19 -2.769 8.824 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.477 10.721 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.437 10.948 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.029 13.354 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.461 12.734 -4.388 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.199 13.002 -4.114 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.202 11.874 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.444 11.406 -2.394 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.476 10.155 -1.579 1.00 0.00 H new ATOM 291 N LYS A 20 -0.468 9.378 -4.455 1.00 0.00 N ATOM 292 CA LYS A 20 0.762 8.961 -5.205 1.00 0.00 C ATOM 293 C LYS A 20 1.476 7.734 -4.576 1.00 0.00 C ATOM 294 O LYS A 20 1.154 7.352 -3.462 1.00 0.00 O ATOM 295 CB LYS A 20 1.594 10.274 -5.243 1.00 0.00 C ATOM 296 CG LYS A 20 3.070 10.143 -5.624 1.00 0.00 C ATOM 297 CD LYS A 20 3.857 9.987 -4.290 1.00 0.00 C ATOM 298 CE LYS A 20 5.341 10.184 -4.556 1.00 0.00 C ATOM 299 NZ LYS A 20 5.533 11.562 -5.092 1.00 0.00 N ATOM 0 H LYS A 20 -0.407 9.293 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 20 0.563 8.583 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.120 10.957 -5.948 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.537 10.741 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.229 9.281 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.408 11.021 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.507 10.717 -3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.680 9.000 -3.863 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.914 10.048 -3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.702 9.444 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.497 11.887 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.392 11.556 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.844 12.205 -4.652 1.00 0.00 H new ATOM 313 N TRP A 21 2.408 7.152 -5.295 1.00 0.00 N ATOM 314 CA TRP A 21 3.199 5.961 -4.836 1.00 0.00 C ATOM 315 C TRP A 21 4.652 6.369 -4.663 1.00 0.00 C ATOM 316 O TRP A 21 5.049 7.466 -5.002 1.00 0.00 O ATOM 317 CB TRP A 21 3.200 4.812 -5.854 1.00 0.00 C ATOM 318 CG TRP A 21 2.060 3.872 -5.563 1.00 0.00 C ATOM 319 CD1 TRP A 21 0.865 3.928 -6.191 1.00 0.00 C ATOM 320 CD2 TRP A 21 2.074 2.876 -4.653 1.00 0.00 C ATOM 321 NE1 TRP A 21 0.208 2.943 -5.616 1.00 0.00 N ATOM 322 CE2 TRP A 21 0.845 2.258 -4.687 1.00 0.00 C ATOM 323 CE3 TRP A 21 3.044 2.422 -3.772 1.00 0.00 C ATOM 324 CZ2 TRP A 21 0.562 1.201 -3.864 1.00 0.00 C ATOM 325 CZ3 TRP A 21 2.761 1.352 -2.945 1.00 0.00 C ATOM 326 CH2 TRP A 21 1.520 0.751 -2.987 1.00 0.00 C ATOM 0 H TRP A 21 2.665 7.472 -6.229 1.00 0.00 H new ATOM 0 HA TRP A 21 2.733 5.622 -3.911 1.00 0.00 H new ATOM 0 HB2 TRP A 21 3.107 5.209 -6.865 1.00 0.00 H new ATOM 0 HB3 TRP A 21 4.147 4.275 -5.809 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.534 4.605 -6.964 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -0.752 2.719 -5.878 1.00 0.00 H new ATOM 0 HE3 TRP A 21 4.012 2.900 -3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.406 0.725 -3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 3.514 0.985 -2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 21 1.300 -0.076 -2.328 1.00 0.00 H new ATOM 337 N PHE A 22 5.418 5.458 -4.131 1.00 0.00 N ATOM 338 CA PHE A 22 6.872 5.719 -3.895 1.00 0.00 C ATOM 339 C PHE A 22 7.748 4.627 -4.518 1.00 0.00 C ATOM 340 O PHE A 22 8.704 4.936 -5.204 1.00 0.00 O ATOM 341 CB PHE A 22 7.091 5.822 -2.364 1.00 0.00 C ATOM 342 CG PHE A 22 6.345 7.071 -1.800 1.00 0.00 C ATOM 343 CD1 PHE A 22 4.960 7.176 -1.823 1.00 0.00 C ATOM 344 CD2 PHE A 22 7.065 8.124 -1.262 1.00 0.00 C ATOM 345 CE1 PHE A 22 4.325 8.295 -1.329 1.00 0.00 C ATOM 346 CE2 PHE A 22 6.422 9.245 -0.767 1.00 0.00 C ATOM 347 CZ PHE A 22 5.049 9.332 -0.801 1.00 0.00 C ATOM 0 H PHE A 22 5.098 4.533 -3.845 1.00 0.00 H new ATOM 0 HA PHE A 22 7.166 6.652 -4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.726 4.919 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.156 5.895 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.372 6.369 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.143 8.070 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.247 8.355 -1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.001 10.056 -0.352 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.548 10.208 -0.416 1.00 0.00 H new ATOM 357 N VAL A 23 7.432 3.383 -4.282 1.00 0.00 N ATOM 358 CA VAL A 23 8.266 2.291 -4.878 1.00 0.00 C ATOM 359 C VAL A 23 7.563 1.743 -6.118 1.00 0.00 C ATOM 360 O VAL A 23 6.478 2.164 -6.479 1.00 0.00 O ATOM 361 CB VAL A 23 8.477 1.177 -3.826 1.00 0.00 C ATOM 362 CG1 VAL A 23 8.981 1.930 -2.601 1.00 0.00 C ATOM 363 CG2 VAL A 23 7.192 0.389 -3.479 1.00 0.00 C ATOM 0 H VAL A 23 6.645 3.074 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 23 9.241 2.679 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 23 9.163 0.417 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.163 1.225 -1.790 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.909 2.447 -2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.232 2.658 -2.288 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.423 -0.374 -2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.443 1.072 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.803 -0.088 -4.379 1.00 0.00 H new ATOM 373 N LYS A 24 8.231 0.808 -6.715 1.00 0.00 N ATOM 374 CA LYS A 24 7.722 0.143 -7.950 1.00 0.00 C ATOM 375 C LYS A 24 7.425 -1.329 -7.633 1.00 0.00 C ATOM 376 O LYS A 24 7.919 -1.841 -6.647 1.00 0.00 O ATOM 377 CB LYS A 24 8.789 0.232 -9.081 1.00 0.00 C ATOM 378 CG LYS A 24 10.235 0.077 -8.554 1.00 0.00 C ATOM 379 CD LYS A 24 10.831 1.448 -8.015 1.00 0.00 C ATOM 380 CE LYS A 24 12.388 1.341 -7.798 1.00 0.00 C ATOM 381 NZ LYS A 24 13.036 0.645 -8.959 1.00 0.00 N ATOM 0 H LYS A 24 9.135 0.462 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 24 6.813 0.641 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.592 -0.543 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.693 1.191 -9.590 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.250 -0.663 -7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.871 -0.304 -9.353 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.613 2.247 -8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.347 1.715 -7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.814 2.338 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.596 0.795 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.031 0.939 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.988 -0.384 -8.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.538 0.897 -9.837 1.00 0.00 H new ATOM 395 N PRO A 25 6.641 -1.981 -8.460 1.00 0.00 N ATOM 396 CA PRO A 25 6.315 -3.419 -8.276 1.00 0.00 C ATOM 397 C PRO A 25 7.475 -4.306 -8.744 1.00 0.00 C ATOM 398 O PRO A 25 7.878 -4.210 -9.888 1.00 0.00 O ATOM 399 CB PRO A 25 5.051 -3.617 -9.096 1.00 0.00 C ATOM 400 CG PRO A 25 5.279 -2.657 -10.304 1.00 0.00 C ATOM 401 CD PRO A 25 5.960 -1.414 -9.665 1.00 0.00 C ATOM 0 HA PRO A 25 6.160 -3.698 -7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.933 -4.652 -9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.156 -3.354 -8.532 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.913 -3.114 -11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.339 -2.393 -10.789 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.671 -0.948 -10.348 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.231 -0.650 -9.394 1.00 0.00 H new ATOM 409 N GLY A 26 7.973 -5.124 -7.867 1.00 0.00 N ATOM 410 CA GLY A 26 9.091 -6.027 -8.234 1.00 0.00 C ATOM 411 C GLY A 26 10.350 -5.641 -7.479 1.00 0.00 C ATOM 412 O GLY A 26 11.276 -6.433 -7.401 1.00 0.00 O ATOM 0 H GLY A 26 7.650 -5.206 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.824 -7.059 -8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.272 -5.975 -9.308 1.00 0.00 H new ATOM 416 N ASP A 27 10.353 -4.454 -6.925 1.00 0.00 N ATOM 417 CA ASP A 27 11.580 -4.020 -6.190 1.00 0.00 C ATOM 418 C ASP A 27 11.738 -4.759 -4.875 1.00 0.00 C ATOM 419 O ASP A 27 10.889 -5.525 -4.433 1.00 0.00 O ATOM 420 CB ASP A 27 11.526 -2.483 -5.921 1.00 0.00 C ATOM 421 CG ASP A 27 12.704 -1.873 -6.631 1.00 0.00 C ATOM 422 OD1 ASP A 27 13.794 -1.775 -6.121 1.00 0.00 O ATOM 423 OD2 ASP A 27 12.448 -1.507 -7.754 1.00 0.00 O ATOM 0 H ASP A 27 9.584 -3.784 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 27 12.440 -4.257 -6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.592 -2.059 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.570 -2.276 -4.852 1.00 0.00 H new ATOM 428 N GLU A 28 12.861 -4.462 -4.304 1.00 0.00 N ATOM 429 CA GLU A 28 13.329 -5.024 -3.007 1.00 0.00 C ATOM 430 C GLU A 28 13.493 -3.808 -2.110 1.00 0.00 C ATOM 431 O GLU A 28 14.303 -2.952 -2.397 1.00 0.00 O ATOM 432 CB GLU A 28 14.648 -5.757 -3.295 1.00 0.00 C ATOM 433 CG GLU A 28 14.334 -7.105 -3.975 1.00 0.00 C ATOM 434 CD GLU A 28 15.615 -7.786 -4.452 1.00 0.00 C ATOM 435 OE1 GLU A 28 16.345 -7.159 -5.179 1.00 0.00 O ATOM 436 OE2 GLU A 28 15.763 -8.926 -4.061 1.00 0.00 O ATOM 0 H GLU A 28 13.524 -3.803 -4.713 1.00 0.00 H new ATOM 0 HA GLU A 28 12.662 -5.740 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.284 -5.149 -3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.198 -5.922 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.810 -7.756 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.666 -6.943 -4.821 1.00 0.00 H new ATOM 443 N VAL A 29 12.736 -3.751 -1.050 1.00 0.00 N ATOM 444 CA VAL A 29 12.848 -2.576 -0.137 1.00 0.00 C ATOM 445 C VAL A 29 13.522 -3.000 1.170 1.00 0.00 C ATOM 446 O VAL A 29 13.815 -4.157 1.374 1.00 0.00 O ATOM 447 CB VAL A 29 11.390 -2.014 0.040 1.00 0.00 C ATOM 448 CG1 VAL A 29 10.391 -3.032 0.670 1.00 0.00 C ATOM 449 CG2 VAL A 29 11.318 -0.631 0.724 1.00 0.00 C ATOM 0 H VAL A 29 12.052 -4.457 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 29 13.479 -1.782 -0.535 1.00 0.00 H new ATOM 0 HB VAL A 29 11.055 -1.854 -0.985 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.408 -2.570 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.321 -3.914 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.745 -3.325 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 29 10.277 -0.319 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.757 -0.694 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.869 0.098 0.130 1.00 0.00 H new ATOM 459 N ASN A 30 13.732 -2.029 2.013 1.00 0.00 N ATOM 460 CA ASN A 30 14.396 -2.237 3.367 1.00 0.00 C ATOM 461 C ASN A 30 13.403 -2.196 4.531 1.00 0.00 C ATOM 462 O ASN A 30 13.518 -2.754 5.602 1.00 0.00 O ATOM 463 CB ASN A 30 15.371 -1.150 3.549 1.00 0.00 C ATOM 464 CG ASN A 30 16.423 -1.491 4.619 1.00 0.00 C ATOM 465 OD1 ASN A 30 17.605 -1.492 4.328 1.00 0.00 O ATOM 466 ND2 ASN A 30 16.099 -1.792 5.839 1.00 0.00 N ATOM 0 H ASN A 30 13.468 -1.061 1.829 1.00 0.00 H new ATOM 0 HA ASN A 30 14.858 -3.224 3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.870 -0.949 2.601 1.00 0.00 H new ATOM 0 HB3 ASN A 30 14.847 -0.237 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 30 16.825 -2.019 6.518 1.00 0.00 H new ATOM 0 HD22 ASN A 30 15.118 -1.801 6.119 1.00 0.00 H new ATOM 473 N GLU A 31 12.454 -1.471 4.094 1.00 0.00 N ATOM 474 CA GLU A 31 11.184 -0.986 4.636 1.00 0.00 C ATOM 475 C GLU A 31 10.619 -0.522 5.972 1.00 0.00 C ATOM 476 O GLU A 31 9.923 -1.070 6.807 1.00 0.00 O ATOM 477 CB GLU A 31 10.254 -1.980 3.885 1.00 0.00 C ATOM 478 CG GLU A 31 8.765 -1.745 4.086 1.00 0.00 C ATOM 479 CD GLU A 31 8.448 -0.323 3.673 1.00 0.00 C ATOM 480 OE1 GLU A 31 8.308 -0.138 2.489 1.00 0.00 O ATOM 481 OE2 GLU A 31 8.370 0.505 4.557 1.00 0.00 O ATOM 0 H GLU A 31 12.546 -1.114 3.143 1.00 0.00 H new ATOM 0 HA GLU A 31 11.348 0.091 4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.474 -1.925 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.493 -2.993 4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.185 -2.451 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.492 -1.907 5.129 1.00 0.00 H new ATOM 488 N ASP A 32 11.140 0.653 5.905 1.00 0.00 N ATOM 489 CA ASP A 32 11.159 1.859 6.720 1.00 0.00 C ATOM 490 C ASP A 32 11.084 2.874 5.526 1.00 0.00 C ATOM 491 O ASP A 32 11.537 4.002 5.615 1.00 0.00 O ATOM 492 CB ASP A 32 12.511 1.967 7.476 1.00 0.00 C ATOM 493 CG ASP A 32 13.755 1.619 6.610 1.00 0.00 C ATOM 494 OD1 ASP A 32 13.647 1.071 5.518 1.00 0.00 O ATOM 495 OD2 ASP A 32 14.816 1.933 7.114 1.00 0.00 O ATOM 0 H ASP A 32 11.702 0.845 5.076 1.00 0.00 H new ATOM 0 HA ASP A 32 10.403 1.964 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.621 2.982 7.858 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.486 1.302 8.339 1.00 0.00 H new ATOM 500 N ASP A 33 10.491 2.410 4.443 1.00 0.00 N ATOM 501 CA ASP A 33 10.299 3.149 3.160 1.00 0.00 C ATOM 502 C ASP A 33 8.806 3.478 3.041 1.00 0.00 C ATOM 503 O ASP A 33 8.090 3.388 4.028 1.00 0.00 O ATOM 504 CB ASP A 33 10.764 2.209 2.030 1.00 0.00 C ATOM 505 CG ASP A 33 11.334 2.957 0.836 1.00 0.00 C ATOM 506 OD1 ASP A 33 10.673 3.874 0.377 1.00 0.00 O ATOM 507 OD2 ASP A 33 12.417 2.557 0.439 1.00 0.00 O ATOM 0 H ASP A 33 10.104 1.467 4.407 1.00 0.00 H new ATOM 0 HA ASP A 33 10.866 4.078 3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.520 1.527 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.922 1.599 1.702 1.00 0.00 H new ATOM 512 N VAL A 34 8.335 3.868 1.883 1.00 0.00 N ATOM 513 CA VAL A 34 6.924 4.186 1.702 1.00 0.00 C ATOM 514 C VAL A 34 6.349 3.274 0.645 1.00 0.00 C ATOM 515 O VAL A 34 6.990 2.659 -0.180 1.00 0.00 O ATOM 516 CB VAL A 34 6.726 5.574 1.167 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.397 6.143 1.570 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.780 6.503 1.685 1.00 0.00 C ATOM 0 H VAL A 34 8.903 3.976 1.043 1.00 0.00 H new ATOM 0 HA VAL A 34 6.448 4.079 2.677 1.00 0.00 H new ATOM 0 HB VAL A 34 6.782 5.491 0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.293 7.149 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.598 5.510 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.333 6.184 2.657 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.614 7.502 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.732 6.538 2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.763 6.146 1.377 1.00 0.00 H new ATOM 528 N LEU A 35 5.069 3.297 0.733 1.00 0.00 N ATOM 529 CA LEU A 35 4.240 2.508 -0.195 1.00 0.00 C ATOM 530 C LEU A 35 3.289 3.539 -0.764 1.00 0.00 C ATOM 531 O LEU A 35 3.563 4.098 -1.804 1.00 0.00 O ATOM 532 CB LEU A 35 3.386 1.370 0.488 1.00 0.00 C ATOM 533 CG LEU A 35 4.183 0.034 0.647 1.00 0.00 C ATOM 534 CD1 LEU A 35 5.345 0.142 1.656 1.00 0.00 C ATOM 535 CD2 LEU A 35 3.197 -1.047 1.165 1.00 0.00 C ATOM 0 H LEU A 35 4.547 3.839 1.421 1.00 0.00 H new ATOM 0 HA LEU A 35 4.875 1.989 -0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.053 1.709 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.491 1.186 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 35 4.612 -0.216 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.860 -0.817 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.046 0.908 1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.952 0.411 2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.725 -1.993 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.787 -0.735 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.386 -1.173 0.448 1.00 0.00 H new ATOM 547 N CYS A 36 2.229 3.793 -0.047 1.00 0.00 N ATOM 548 CA CYS A 36 1.227 4.780 -0.545 1.00 0.00 C ATOM 549 C CYS A 36 0.936 5.922 0.386 1.00 0.00 C ATOM 550 O CYS A 36 1.384 5.952 1.520 1.00 0.00 O ATOM 551 CB CYS A 36 -0.066 4.012 -0.862 1.00 0.00 C ATOM 552 SG CYS A 36 -1.619 4.496 -0.072 1.00 0.00 S ATOM 0 H CYS A 36 2.014 3.365 0.854 1.00 0.00 H new ATOM 0 HA CYS A 36 1.656 5.253 -1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.220 4.066 -1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.110 2.965 -0.617 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.269 3.432 0.296 1.00 0.00 H new ATOM 558 N GLU A 37 0.175 6.812 -0.180 1.00 0.00 N ATOM 559 CA GLU A 37 -0.280 8.072 0.475 1.00 0.00 C ATOM 560 C GLU A 37 -1.787 8.131 0.144 1.00 0.00 C ATOM 561 O GLU A 37 -2.126 7.788 -0.979 1.00 0.00 O ATOM 562 CB GLU A 37 0.671 9.070 -0.244 1.00 0.00 C ATOM 563 CG GLU A 37 0.885 10.509 0.182 1.00 0.00 C ATOM 564 CD GLU A 37 1.496 11.230 -1.046 1.00 0.00 C ATOM 565 OE1 GLU A 37 0.760 11.355 -2.013 1.00 0.00 O ATOM 566 OE2 GLU A 37 2.654 11.603 -0.974 1.00 0.00 O ATOM 0 H GLU A 37 -0.173 6.709 -1.133 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.223 8.231 1.552 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.656 8.604 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.340 9.108 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.056 10.972 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.553 10.567 1.041 1.00 0.00 H new ATOM 573 N VAL A 38 -2.626 8.541 1.062 1.00 0.00 N ATOM 574 CA VAL A 38 -4.093 8.605 0.758 1.00 0.00 C ATOM 575 C VAL A 38 -4.684 9.864 1.357 1.00 0.00 C ATOM 576 O VAL A 38 -4.210 10.344 2.363 1.00 0.00 O ATOM 577 CB VAL A 38 -4.802 7.369 1.355 1.00 0.00 C ATOM 578 CG1 VAL A 38 -6.337 7.558 1.427 1.00 0.00 C ATOM 579 CG2 VAL A 38 -4.530 6.135 0.468 1.00 0.00 C ATOM 0 H VAL A 38 -2.363 8.833 2.003 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.235 8.617 -0.323 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.409 7.234 2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.794 6.665 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.569 8.419 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.731 7.724 0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.031 5.265 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.909 6.319 -0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.457 5.949 0.422 1.00 0.00 H new ATOM 589 N GLN A 39 -5.717 10.350 0.737 1.00 0.00 N ATOM 590 CA GLN A 39 -6.357 11.581 1.256 1.00 0.00 C ATOM 591 C GLN A 39 -7.656 11.106 1.888 1.00 0.00 C ATOM 592 O GLN A 39 -8.432 10.388 1.286 1.00 0.00 O ATOM 593 CB GLN A 39 -6.623 12.533 0.088 1.00 0.00 C ATOM 594 CG GLN A 39 -7.397 13.802 0.538 1.00 0.00 C ATOM 595 CD GLN A 39 -6.538 14.562 1.550 1.00 0.00 C ATOM 596 OE1 GLN A 39 -5.570 15.198 1.190 1.00 0.00 O ATOM 597 NE2 GLN A 39 -6.833 14.523 2.813 1.00 0.00 N ATOM 0 H GLN A 39 -6.142 9.951 -0.100 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.742 12.119 1.977 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.675 12.827 -0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.195 12.013 -0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.619 14.435 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.352 13.525 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.644 13.992 3.131 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.254 15.023 3.488 1.00 0.00 H new ATOM 606 N ASN A 40 -7.853 11.504 3.104 1.00 0.00 N ATOM 607 CA ASN A 40 -9.076 11.138 3.865 1.00 0.00 C ATOM 608 C ASN A 40 -9.239 12.205 4.916 1.00 0.00 C ATOM 609 O ASN A 40 -8.515 13.181 4.900 1.00 0.00 O ATOM 610 CB ASN A 40 -8.923 9.726 4.505 1.00 0.00 C ATOM 611 CG ASN A 40 -7.612 9.555 5.255 1.00 0.00 C ATOM 612 OD1 ASN A 40 -6.560 9.658 4.663 1.00 0.00 O ATOM 613 ND2 ASN A 40 -7.598 9.295 6.525 1.00 0.00 N ATOM 0 H ASN A 40 -7.197 12.088 3.622 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.954 11.086 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.753 9.551 5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.990 8.969 3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.709 9.180 7.012 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.476 9.205 7.037 1.00 0.00 H new ATOM 620 N ASP A 41 -10.189 11.962 5.768 1.00 0.00 N ATOM 621 CA ASP A 41 -10.565 12.847 6.907 1.00 0.00 C ATOM 622 C ASP A 41 -9.603 13.979 7.237 1.00 0.00 C ATOM 623 O ASP A 41 -9.867 15.134 6.978 1.00 0.00 O ATOM 624 CB ASP A 41 -10.769 11.925 8.130 1.00 0.00 C ATOM 625 CG ASP A 41 -9.775 10.765 8.118 1.00 0.00 C ATOM 626 OD1 ASP A 41 -8.670 10.914 8.596 1.00 0.00 O ATOM 627 OD2 ASP A 41 -10.184 9.750 7.592 1.00 0.00 O ATOM 0 H ASP A 41 -10.763 11.121 5.716 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.468 13.383 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.649 12.501 9.047 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.787 11.535 8.129 1.00 0.00 H new ATOM 632 N LYS A 42 -8.509 13.598 7.818 1.00 0.00 N ATOM 633 CA LYS A 42 -7.449 14.550 8.220 1.00 0.00 C ATOM 634 C LYS A 42 -6.101 14.074 7.668 1.00 0.00 C ATOM 635 O LYS A 42 -5.131 14.798 7.789 1.00 0.00 O ATOM 636 CB LYS A 42 -7.382 14.620 9.758 1.00 0.00 C ATOM 637 CG LYS A 42 -8.798 15.002 10.329 1.00 0.00 C ATOM 638 CD LYS A 42 -8.814 15.164 11.881 1.00 0.00 C ATOM 639 CE LYS A 42 -7.993 16.395 12.352 1.00 0.00 C ATOM 640 NZ LYS A 42 -8.532 17.652 11.732 1.00 0.00 N ATOM 0 H LYS A 42 -8.298 12.625 8.039 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.674 15.539 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.062 13.660 10.163 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.642 15.359 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.128 15.934 9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.517 14.234 10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -9.844 15.264 12.223 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.411 14.263 12.343 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.032 16.472 13.439 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.945 16.268 12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.153 18.478 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.246 17.696 10.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.570 17.653 11.796 1.00 0.00 H new ATOM 654 N ALA A 43 -6.049 12.900 7.093 1.00 0.00 N ATOM 655 CA ALA A 43 -4.745 12.408 6.552 1.00 0.00 C ATOM 656 C ALA A 43 -4.593 12.638 5.048 1.00 0.00 C ATOM 657 O ALA A 43 -5.555 12.820 4.333 1.00 0.00 O ATOM 658 CB ALA A 43 -4.647 10.937 6.857 1.00 0.00 C ATOM 0 H ALA A 43 -6.841 12.268 6.975 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.943 12.972 7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.704 10.548 6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.691 10.785 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.476 10.411 6.383 1.00 0.00 H new ATOM 664 N VAL A 44 -3.341 12.617 4.680 1.00 0.00 N ATOM 665 CA VAL A 44 -2.851 12.822 3.282 1.00 0.00 C ATOM 666 C VAL A 44 -1.958 11.646 2.771 1.00 0.00 C ATOM 667 O VAL A 44 -1.969 11.282 1.615 1.00 0.00 O ATOM 668 CB VAL A 44 -2.095 14.166 3.330 1.00 0.00 C ATOM 669 CG1 VAL A 44 -1.577 14.552 1.956 1.00 0.00 C ATOM 670 CG2 VAL A 44 -3.035 15.263 3.891 1.00 0.00 C ATOM 0 H VAL A 44 -2.583 12.454 5.343 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.673 12.843 2.566 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.231 14.062 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.049 15.503 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.895 13.782 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.415 14.648 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.504 16.214 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.908 15.359 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.355 14.989 4.896 1.00 0.00 H new ATOM 680 N VAL A 45 -1.197 11.111 3.677 1.00 0.00 N ATOM 681 CA VAL A 45 -0.253 9.980 3.449 1.00 0.00 C ATOM 682 C VAL A 45 -0.756 8.784 4.212 1.00 0.00 C ATOM 683 O VAL A 45 -1.649 8.900 5.027 1.00 0.00 O ATOM 684 CB VAL A 45 1.150 10.317 3.992 1.00 0.00 C ATOM 685 CG1 VAL A 45 2.268 9.326 3.533 1.00 0.00 C ATOM 686 CG2 VAL A 45 1.466 11.697 3.555 1.00 0.00 C ATOM 0 H VAL A 45 -1.192 11.439 4.643 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.192 9.787 2.378 1.00 0.00 H new ATOM 0 HB VAL A 45 1.129 10.226 5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.224 9.633 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.025 8.320 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.336 9.333 2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.454 11.977 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.454 11.746 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.723 12.385 3.957 1.00 0.00 H new ATOM 696 N GLU A 46 -0.119 7.694 3.900 1.00 0.00 N ATOM 697 CA GLU A 46 -0.492 6.416 4.560 1.00 0.00 C ATOM 698 C GLU A 46 0.512 5.625 5.375 1.00 0.00 C ATOM 699 O GLU A 46 0.453 5.466 6.578 1.00 0.00 O ATOM 700 CB GLU A 46 -1.079 5.439 3.525 1.00 0.00 C ATOM 701 CG GLU A 46 -2.463 5.921 3.115 1.00 0.00 C ATOM 702 CD GLU A 46 -3.363 4.681 3.155 1.00 0.00 C ATOM 703 OE1 GLU A 46 -3.361 3.965 2.174 1.00 0.00 O ATOM 704 OE2 GLU A 46 -4.043 4.404 4.124 1.00 0.00 O ATOM 0 H GLU A 46 0.639 7.632 3.221 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.182 6.800 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.428 5.379 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.140 4.436 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.827 6.691 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.445 6.360 2.117 1.00 0.00 H new ATOM 711 N ILE A 47 1.403 5.164 4.591 1.00 0.00 N ATOM 712 CA ILE A 47 2.548 4.325 5.025 1.00 0.00 C ATOM 713 C ILE A 47 3.750 5.240 5.305 1.00 0.00 C ATOM 714 O ILE A 47 3.882 6.275 4.684 1.00 0.00 O ATOM 715 CB ILE A 47 2.731 3.314 3.831 1.00 0.00 C ATOM 716 CG1 ILE A 47 1.882 2.023 3.997 1.00 0.00 C ATOM 717 CG2 ILE A 47 4.151 2.940 3.603 1.00 0.00 C ATOM 718 CD1 ILE A 47 0.384 2.313 3.846 1.00 0.00 C ATOM 0 H ILE A 47 1.395 5.341 3.587 1.00 0.00 H new ATOM 0 HA ILE A 47 2.412 3.770 5.953 1.00 0.00 H new ATOM 0 HB ILE A 47 2.371 3.856 2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.188 1.287 3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.072 1.585 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.214 2.242 2.768 1.00 0.00 H new ATOM 0 HG22 ILE A 47 4.730 3.834 3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.552 2.469 4.501 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.180 1.388 3.968 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.074 3.030 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.192 2.727 2.856 1.00 0.00 H new ATOM 730 N PRO A 48 4.589 4.833 6.231 1.00 0.00 N ATOM 731 CA PRO A 48 5.718 3.873 6.086 1.00 0.00 C ATOM 732 C PRO A 48 5.304 2.515 6.675 1.00 0.00 C ATOM 733 O PRO A 48 4.197 2.334 7.148 1.00 0.00 O ATOM 734 CB PRO A 48 6.815 4.556 6.840 1.00 0.00 C ATOM 735 CG PRO A 48 6.034 4.916 8.130 1.00 0.00 C ATOM 736 CD PRO A 48 4.562 5.311 7.630 1.00 0.00 C ATOM 0 HA PRO A 48 6.023 3.647 5.064 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.665 3.902 7.031 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.199 5.434 6.321 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.003 4.073 8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.506 5.744 8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.784 4.821 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.381 6.384 7.694 1.00 0.00 H new ATOM 744 N SER A 49 6.235 1.629 6.624 1.00 0.00 N ATOM 745 CA SER A 49 5.997 0.253 7.150 1.00 0.00 C ATOM 746 C SER A 49 7.174 -0.126 8.077 1.00 0.00 C ATOM 747 O SER A 49 8.076 0.671 8.266 1.00 0.00 O ATOM 748 CB SER A 49 5.893 -0.713 5.956 1.00 0.00 C ATOM 749 OG SER A 49 5.470 0.103 4.865 1.00 0.00 O ATOM 0 H SER A 49 7.166 1.788 6.238 1.00 0.00 H new ATOM 0 HA SER A 49 5.071 0.199 7.723 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.851 -1.188 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.178 -1.511 6.154 1.00 0.00 H new ATOM 0 HG SER A 49 4.506 -0.007 4.729 1.00 0.00 H new ATOM 755 N PRO A 50 7.134 -1.315 8.648 1.00 0.00 N ATOM 756 CA PRO A 50 8.265 -1.904 9.413 1.00 0.00 C ATOM 757 C PRO A 50 9.158 -2.988 8.763 1.00 0.00 C ATOM 758 O PRO A 50 10.299 -3.128 9.162 1.00 0.00 O ATOM 759 CB PRO A 50 7.558 -2.399 10.657 1.00 0.00 C ATOM 760 CG PRO A 50 6.148 -2.905 10.110 1.00 0.00 C ATOM 761 CD PRO A 50 5.967 -2.235 8.698 1.00 0.00 C ATOM 0 HA PRO A 50 9.041 -1.151 9.548 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.113 -3.203 11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 50 7.441 -1.605 11.394 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.127 -3.992 10.032 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.342 -2.618 10.785 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.989 -2.968 7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.021 -1.700 8.617 1.00 0.00 H new ATOM 769 N VAL A 51 8.656 -3.746 7.816 1.00 0.00 N ATOM 770 CA VAL A 51 9.487 -4.791 7.194 1.00 0.00 C ATOM 771 C VAL A 51 9.565 -4.790 5.705 1.00 0.00 C ATOM 772 O VAL A 51 8.740 -4.287 4.982 1.00 0.00 O ATOM 773 CB VAL A 51 8.951 -6.130 7.720 1.00 0.00 C ATOM 774 CG1 VAL A 51 7.392 -6.139 7.820 1.00 0.00 C ATOM 775 CG2 VAL A 51 9.322 -7.313 6.906 1.00 0.00 C ATOM 0 H VAL A 51 7.704 -3.675 7.456 1.00 0.00 H new ATOM 0 HA VAL A 51 10.522 -4.596 7.475 1.00 0.00 H new ATOM 0 HB VAL A 51 9.423 -6.211 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.057 -7.106 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.066 -5.352 8.500 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.963 -5.966 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.899 -8.211 7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.933 -7.195 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.408 -7.403 6.869 1.00 0.00 H new ATOM 785 N LYS A 52 10.616 -5.467 5.371 1.00 0.00 N ATOM 786 CA LYS A 52 11.029 -5.679 3.972 1.00 0.00 C ATOM 787 C LYS A 52 10.760 -7.102 3.533 1.00 0.00 C ATOM 788 O LYS A 52 10.528 -7.980 4.347 1.00 0.00 O ATOM 789 CB LYS A 52 12.524 -5.416 3.825 1.00 0.00 C ATOM 790 CG LYS A 52 13.399 -6.459 4.583 1.00 0.00 C ATOM 791 CD LYS A 52 13.574 -6.098 6.088 1.00 0.00 C ATOM 792 CE LYS A 52 13.905 -7.379 6.902 1.00 0.00 C ATOM 793 NZ LYS A 52 12.882 -8.453 6.637 1.00 0.00 N ATOM 0 H LYS A 52 11.237 -5.904 6.052 1.00 0.00 H new ATOM 0 HA LYS A 52 10.454 -4.991 3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.788 -5.428 2.767 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.751 -4.418 4.199 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.941 -7.445 4.498 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.379 -6.521 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.373 -5.365 6.205 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.662 -5.639 6.470 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.898 -7.740 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.927 -7.145 7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.534 -8.832 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.087 -8.050 6.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.318 -9.219 6.086 1.00 0.00 H new ATOM 807 N GLY A 53 10.877 -7.219 2.252 1.00 0.00 N ATOM 808 CA GLY A 53 10.680 -8.458 1.462 1.00 0.00 C ATOM 809 C GLY A 53 10.658 -7.873 0.051 1.00 0.00 C ATOM 810 O GLY A 53 11.404 -6.947 -0.226 1.00 0.00 O ATOM 0 H GLY A 53 11.127 -6.423 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.489 -9.175 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.752 -8.970 1.715 1.00 0.00 H new ATOM 814 N LYS A 54 9.825 -8.376 -0.797 1.00 0.00 N ATOM 815 CA LYS A 54 9.709 -7.906 -2.193 1.00 0.00 C ATOM 816 C LYS A 54 8.415 -7.128 -2.160 1.00 0.00 C ATOM 817 O LYS A 54 7.681 -7.073 -1.187 1.00 0.00 O ATOM 818 CB LYS A 54 9.582 -9.145 -3.115 1.00 0.00 C ATOM 819 CG LYS A 54 9.747 -8.898 -4.650 1.00 0.00 C ATOM 820 CD LYS A 54 11.225 -8.596 -5.030 1.00 0.00 C ATOM 821 CE LYS A 54 12.114 -9.856 -4.802 1.00 0.00 C ATOM 822 NZ LYS A 54 13.534 -9.596 -5.156 1.00 0.00 N ATOM 0 H LYS A 54 9.185 -9.136 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 54 10.551 -7.317 -2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.328 -9.877 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.604 -9.596 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.402 -9.775 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.115 -8.063 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.283 -8.287 -6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.599 -7.766 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.049 -10.163 -3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.735 -10.683 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.899 -10.384 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.600 -8.712 -5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.098 -9.510 -4.287 1.00 0.00 H new ATOM 836 N VAL A 55 8.198 -6.550 -3.287 1.00 0.00 N ATOM 837 CA VAL A 55 6.998 -5.736 -3.532 1.00 0.00 C ATOM 838 C VAL A 55 6.544 -6.469 -4.785 1.00 0.00 C ATOM 839 O VAL A 55 6.442 -5.901 -5.847 1.00 0.00 O ATOM 840 CB VAL A 55 7.416 -4.308 -3.781 1.00 0.00 C ATOM 841 CG1 VAL A 55 6.080 -3.600 -3.934 1.00 0.00 C ATOM 842 CG2 VAL A 55 8.048 -3.876 -2.451 1.00 0.00 C ATOM 0 H VAL A 55 8.831 -6.611 -4.085 1.00 0.00 H new ATOM 0 HA VAL A 55 6.243 -5.652 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 55 8.087 -4.128 -4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.249 -2.540 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.532 -4.033 -4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.499 -3.718 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.387 -2.843 -2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.309 -3.957 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.897 -4.521 -2.225 1.00 0.00 H new ATOM 852 N LEU A 56 6.290 -7.732 -4.569 1.00 0.00 N ATOM 853 CA LEU A 56 5.841 -8.669 -5.654 1.00 0.00 C ATOM 854 C LEU A 56 5.199 -7.948 -6.837 1.00 0.00 C ATOM 855 O LEU A 56 5.843 -7.725 -7.842 1.00 0.00 O ATOM 856 CB LEU A 56 4.842 -9.694 -5.049 1.00 0.00 C ATOM 857 CG LEU A 56 5.549 -10.601 -3.997 1.00 0.00 C ATOM 858 CD1 LEU A 56 4.501 -11.455 -3.252 1.00 0.00 C ATOM 859 CD2 LEU A 56 6.583 -11.530 -4.680 1.00 0.00 C ATOM 0 H LEU A 56 6.377 -8.173 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 56 6.725 -9.174 -6.044 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.011 -9.166 -4.581 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.421 -10.311 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 56 6.071 -9.960 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.002 -12.087 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.793 -10.800 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.968 -12.082 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.064 -12.154 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.077 -12.164 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.336 -10.926 -5.186 1.00 0.00 H new ATOM 871 N GLU A 57 3.959 -7.610 -6.656 1.00 0.00 N ATOM 872 CA GLU A 57 3.187 -6.902 -7.710 1.00 0.00 C ATOM 873 C GLU A 57 2.332 -5.840 -7.028 1.00 0.00 C ATOM 874 O GLU A 57 2.138 -5.876 -5.825 1.00 0.00 O ATOM 875 CB GLU A 57 2.246 -7.869 -8.439 1.00 0.00 C ATOM 876 CG GLU A 57 2.994 -9.108 -8.962 1.00 0.00 C ATOM 877 CD GLU A 57 1.945 -10.096 -9.477 1.00 0.00 C ATOM 878 OE1 GLU A 57 1.214 -9.695 -10.367 1.00 0.00 O ATOM 879 OE2 GLU A 57 1.941 -11.185 -8.932 1.00 0.00 O ATOM 0 H GLU A 57 3.434 -7.799 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 57 3.880 -6.468 -8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.451 -8.183 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.769 -7.353 -9.273 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.684 -8.831 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.589 -9.560 -8.168 1.00 0.00 H new ATOM 886 N ILE A 58 1.855 -4.939 -7.829 1.00 0.00 N ATOM 887 CA ILE A 58 0.985 -3.822 -7.390 1.00 0.00 C ATOM 888 C ILE A 58 -0.064 -4.005 -8.492 1.00 0.00 C ATOM 889 O ILE A 58 0.309 -4.108 -9.647 1.00 0.00 O ATOM 890 CB ILE A 58 1.756 -2.473 -7.510 1.00 0.00 C ATOM 891 CG1 ILE A 58 2.955 -2.478 -6.501 1.00 0.00 C ATOM 892 CG2 ILE A 58 0.804 -1.270 -7.173 1.00 0.00 C ATOM 893 CD1 ILE A 58 3.863 -1.244 -6.731 1.00 0.00 C ATOM 0 H ILE A 58 2.046 -4.933 -8.831 1.00 0.00 H new ATOM 0 HA ILE A 58 0.613 -3.815 -6.366 1.00 0.00 H new ATOM 0 HB ILE A 58 2.122 -2.361 -8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.577 -2.474 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.536 -3.392 -6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.356 -0.334 -7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.035 -1.264 -7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.430 -1.376 -6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.690 -1.264 -6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.256 -1.266 -7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.282 -0.333 -6.586 1.00 0.00 H new ATOM 905 N LEU A 59 -1.312 -4.041 -8.129 1.00 0.00 N ATOM 906 CA LEU A 59 -2.387 -4.219 -9.143 1.00 0.00 C ATOM 907 C LEU A 59 -2.807 -2.856 -9.693 1.00 0.00 C ATOM 908 O LEU A 59 -2.826 -2.653 -10.891 1.00 0.00 O ATOM 909 CB LEU A 59 -3.611 -4.905 -8.492 1.00 0.00 C ATOM 910 CG LEU A 59 -3.317 -6.370 -8.019 1.00 0.00 C ATOM 911 CD1 LEU A 59 -2.519 -6.398 -6.695 1.00 0.00 C ATOM 912 CD2 LEU A 59 -4.670 -7.080 -7.770 1.00 0.00 C ATOM 0 H LEU A 59 -1.638 -3.954 -7.166 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.011 -4.840 -9.956 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.940 -4.313 -7.638 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.434 -4.919 -9.206 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.728 -6.865 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.336 -7.432 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.567 -5.886 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.091 -5.896 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.489 -8.103 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.226 -6.543 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.249 -7.094 -8.694 1.00 0.00 H new ATOM 924 N VAL A 60 -3.133 -1.951 -8.818 1.00 0.00 N ATOM 925 CA VAL A 60 -3.547 -0.600 -9.284 1.00 0.00 C ATOM 926 C VAL A 60 -2.436 0.275 -8.682 1.00 0.00 C ATOM 927 O VAL A 60 -2.028 0.011 -7.568 1.00 0.00 O ATOM 928 CB VAL A 60 -4.965 -0.273 -8.699 1.00 0.00 C ATOM 929 CG1 VAL A 60 -5.536 1.017 -9.330 1.00 0.00 C ATOM 930 CG2 VAL A 60 -5.945 -1.447 -8.995 1.00 0.00 C ATOM 0 H VAL A 60 -3.131 -2.085 -7.807 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.644 -0.470 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.860 -0.132 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.520 1.223 -8.909 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.868 1.852 -9.118 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.623 0.887 -10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.928 -1.213 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.026 -1.591 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.568 -2.360 -8.534 1.00 0.00 H new ATOM 940 N PRO A 61 -1.961 1.269 -9.395 1.00 0.00 N ATOM 941 CA PRO A 61 -0.917 2.182 -8.863 1.00 0.00 C ATOM 942 C PRO A 61 -1.552 3.356 -8.086 1.00 0.00 C ATOM 943 O PRO A 61 -2.057 3.193 -6.995 1.00 0.00 O ATOM 944 CB PRO A 61 -0.161 2.564 -10.141 1.00 0.00 C ATOM 945 CG PRO A 61 -1.326 2.714 -11.190 1.00 0.00 C ATOM 946 CD PRO A 61 -2.344 1.596 -10.802 1.00 0.00 C ATOM 0 HA PRO A 61 -0.245 1.755 -8.118 1.00 0.00 H new ATOM 0 HB2 PRO A 61 0.399 3.491 -10.020 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.554 1.796 -10.435 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.782 3.702 -11.138 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.962 2.584 -12.209 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.374 1.946 -10.869 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.259 0.728 -11.456 1.00 0.00 H new ATOM 954 N GLU A 62 -1.515 4.503 -8.688 1.00 0.00 N ATOM 955 CA GLU A 62 -2.070 5.748 -8.100 1.00 0.00 C ATOM 956 C GLU A 62 -2.943 6.285 -9.225 1.00 0.00 C ATOM 957 O GLU A 62 -2.769 5.902 -10.369 1.00 0.00 O ATOM 958 CB GLU A 62 -0.872 6.682 -7.745 1.00 0.00 C ATOM 959 CG GLU A 62 0.239 6.649 -8.843 1.00 0.00 C ATOM 960 CD GLU A 62 1.374 7.563 -8.385 1.00 0.00 C ATOM 961 OE1 GLU A 62 1.169 8.756 -8.393 1.00 0.00 O ATOM 962 OE2 GLU A 62 2.397 7.017 -8.035 1.00 0.00 O ATOM 0 H GLU A 62 -1.101 4.635 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.645 5.634 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.232 7.704 -7.624 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.446 6.378 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.603 5.632 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.160 6.985 -9.800 1.00 0.00 H new ATOM 969 N GLY A 63 -3.870 7.131 -8.887 1.00 0.00 N ATOM 970 CA GLY A 63 -4.762 7.702 -9.946 1.00 0.00 C ATOM 971 C GLY A 63 -6.185 7.162 -9.935 1.00 0.00 C ATOM 972 O GLY A 63 -7.112 7.873 -10.260 1.00 0.00 O ATOM 0 H GLY A 63 -4.053 7.453 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.797 8.785 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.319 7.502 -10.922 1.00 0.00 H new ATOM 976 N THR A 64 -6.340 5.921 -9.566 1.00 0.00 N ATOM 977 CA THR A 64 -7.710 5.320 -9.542 1.00 0.00 C ATOM 978 C THR A 64 -8.031 5.156 -8.048 1.00 0.00 C ATOM 979 O THR A 64 -7.241 5.567 -7.216 1.00 0.00 O ATOM 980 CB THR A 64 -7.658 3.940 -10.305 1.00 0.00 C ATOM 981 OG1 THR A 64 -6.692 4.078 -11.352 1.00 0.00 O ATOM 982 CG2 THR A 64 -8.972 3.646 -11.109 1.00 0.00 C ATOM 0 H THR A 64 -5.585 5.297 -9.281 1.00 0.00 H new ATOM 0 HA THR A 64 -8.477 5.921 -10.032 1.00 0.00 H new ATOM 0 HB THR A 64 -7.466 3.170 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.628 3.237 -11.851 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.882 2.685 -11.615 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.819 3.618 -10.424 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.130 4.431 -11.848 1.00 0.00 H new ATOM 990 N VAL A 65 -9.149 4.571 -7.728 1.00 0.00 N ATOM 991 CA VAL A 65 -9.499 4.395 -6.297 1.00 0.00 C ATOM 992 C VAL A 65 -9.437 2.896 -6.068 1.00 0.00 C ATOM 993 O VAL A 65 -9.672 2.121 -6.977 1.00 0.00 O ATOM 994 CB VAL A 65 -10.924 4.949 -6.073 1.00 0.00 C ATOM 995 CG1 VAL A 65 -11.297 4.877 -4.572 1.00 0.00 C ATOM 996 CG2 VAL A 65 -11.004 6.419 -6.573 1.00 0.00 C ATOM 0 H VAL A 65 -9.832 4.209 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.836 4.920 -5.610 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.631 4.342 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.303 5.270 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.261 3.840 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.589 5.470 -3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.011 6.804 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.290 7.030 -6.021 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.767 6.455 -7.636 1.00 0.00 H new ATOM 1006 N ALA A 66 -9.125 2.536 -4.864 1.00 0.00 N ATOM 1007 CA ALA A 66 -9.028 1.112 -4.482 1.00 0.00 C ATOM 1008 C ALA A 66 -10.012 0.958 -3.359 1.00 0.00 C ATOM 1009 O ALA A 66 -10.448 1.933 -2.779 1.00 0.00 O ATOM 1010 CB ALA A 66 -7.631 0.868 -4.018 1.00 0.00 C ATOM 0 H ALA A 66 -8.927 3.190 -4.107 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.244 0.410 -5.287 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.522 -0.177 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.935 1.094 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.415 1.508 -3.162 1.00 0.00 H new ATOM 1016 N THR A 67 -10.338 -0.254 -3.084 1.00 0.00 N ATOM 1017 CA THR A 67 -11.288 -0.548 -2.002 1.00 0.00 C ATOM 1018 C THR A 67 -10.420 -1.141 -0.890 1.00 0.00 C ATOM 1019 O THR A 67 -9.213 -0.986 -0.821 1.00 0.00 O ATOM 1020 CB THR A 67 -12.319 -1.535 -2.608 1.00 0.00 C ATOM 1021 OG1 THR A 67 -11.525 -2.391 -3.425 1.00 0.00 O ATOM 1022 CG2 THR A 67 -13.263 -0.818 -3.574 1.00 0.00 C ATOM 0 H THR A 67 -9.979 -1.073 -3.574 1.00 0.00 H new ATOM 0 HA THR A 67 -11.848 0.293 -1.593 1.00 0.00 H new ATOM 0 HB THR A 67 -12.901 -2.021 -1.825 1.00 0.00 H new ATOM 0 HG1 THR A 67 -11.810 -2.308 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 67 -13.976 -1.533 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 67 -13.802 -0.034 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 67 -12.686 -0.375 -4.385 1.00 0.00 H new ATOM 1030 N VAL A 68 -11.134 -1.801 -0.056 1.00 0.00 N ATOM 1031 CA VAL A 68 -10.645 -2.538 1.117 1.00 0.00 C ATOM 1032 C VAL A 68 -11.299 -3.866 0.645 1.00 0.00 C ATOM 1033 O VAL A 68 -12.279 -3.866 -0.085 1.00 0.00 O ATOM 1034 CB VAL A 68 -11.342 -2.182 2.354 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -11.000 -3.194 3.465 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -10.813 -0.873 2.697 1.00 0.00 C ATOM 0 H VAL A 68 -12.147 -1.864 -0.155 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.582 -2.443 1.339 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.426 -2.183 2.240 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -11.524 -2.920 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.309 -4.192 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.925 -3.187 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.280 -0.522 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.735 -0.943 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.027 -0.171 1.891 1.00 0.00 H new ATOM 1046 N GLY A 69 -10.764 -4.972 1.051 1.00 0.00 N ATOM 1047 CA GLY A 69 -11.381 -6.264 0.612 1.00 0.00 C ATOM 1048 C GLY A 69 -10.553 -6.652 -0.602 1.00 0.00 C ATOM 1049 O GLY A 69 -10.125 -7.776 -0.760 1.00 0.00 O ATOM 0 H GLY A 69 -9.945 -5.050 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.328 -7.021 1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.434 -6.141 0.358 1.00 0.00 H new ATOM 1053 N GLN A 70 -10.353 -5.664 -1.427 1.00 0.00 N ATOM 1054 CA GLN A 70 -9.568 -5.812 -2.674 1.00 0.00 C ATOM 1055 C GLN A 70 -8.172 -5.577 -2.129 1.00 0.00 C ATOM 1056 O GLN A 70 -7.982 -5.003 -1.071 1.00 0.00 O ATOM 1057 CB GLN A 70 -9.953 -4.701 -3.638 1.00 0.00 C ATOM 1058 CG GLN A 70 -9.416 -4.870 -5.062 1.00 0.00 C ATOM 1059 CD GLN A 70 -9.862 -3.615 -5.827 1.00 0.00 C ATOM 1060 OE1 GLN A 70 -11.036 -3.315 -5.927 1.00 0.00 O ATOM 1061 NE2 GLN A 70 -8.977 -2.847 -6.383 1.00 0.00 N ATOM 0 H GLN A 70 -10.719 -4.724 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.698 -6.750 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -11.040 -4.637 -3.680 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.593 -3.753 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.330 -4.963 -5.062 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.813 -5.773 -5.526 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.986 -3.077 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.272 -2.013 -6.890 1.00 0.00 H new ATOM 1070 N THR A 71 -7.217 -6.021 -2.871 1.00 0.00 N ATOM 1071 CA THR A 71 -5.830 -5.834 -2.414 1.00 0.00 C ATOM 1072 C THR A 71 -5.330 -4.729 -3.348 1.00 0.00 C ATOM 1073 O THR A 71 -6.052 -4.229 -4.194 1.00 0.00 O ATOM 1074 CB THR A 71 -5.102 -7.141 -2.615 1.00 0.00 C ATOM 1075 OG1 THR A 71 -6.064 -8.163 -2.356 1.00 0.00 O ATOM 1076 CG2 THR A 71 -4.006 -7.412 -1.542 1.00 0.00 C ATOM 0 H THR A 71 -7.332 -6.500 -3.764 1.00 0.00 H new ATOM 0 HA THR A 71 -5.698 -5.564 -1.366 1.00 0.00 H new ATOM 0 HB THR A 71 -4.654 -7.117 -3.608 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.647 -9.042 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.524 -8.368 -1.748 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.262 -6.616 -1.573 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.464 -7.442 -0.553 1.00 0.00 H new ATOM 1084 N LEU A 72 -4.096 -4.400 -3.163 1.00 0.00 N ATOM 1085 CA LEU A 72 -3.470 -3.326 -3.992 1.00 0.00 C ATOM 1086 C LEU A 72 -2.042 -3.755 -4.242 1.00 0.00 C ATOM 1087 O LEU A 72 -1.608 -3.931 -5.360 1.00 0.00 O ATOM 1088 CB LEU A 72 -3.515 -1.965 -3.214 1.00 0.00 C ATOM 1089 CG LEU A 72 -2.922 -0.801 -4.066 1.00 0.00 C ATOM 1090 CD1 LEU A 72 -3.836 -0.517 -5.274 1.00 0.00 C ATOM 1091 CD2 LEU A 72 -2.864 0.508 -3.243 1.00 0.00 C ATOM 0 H LEU A 72 -3.480 -4.826 -2.470 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.999 -3.183 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.545 -1.732 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.956 -2.058 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.923 -1.104 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.416 0.297 -5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.911 -1.412 -5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.828 -0.235 -4.921 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.447 1.306 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.870 0.783 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.234 0.359 -2.366 1.00 0.00 H new ATOM 1103 N ILE A 73 -1.355 -3.906 -3.152 1.00 0.00 N ATOM 1104 CA ILE A 73 0.070 -4.323 -3.168 1.00 0.00 C ATOM 1105 C ILE A 73 0.159 -5.435 -2.113 1.00 0.00 C ATOM 1106 O ILE A 73 -0.736 -5.544 -1.286 1.00 0.00 O ATOM 1107 CB ILE A 73 0.915 -3.067 -2.797 1.00 0.00 C ATOM 1108 CG1 ILE A 73 2.434 -3.392 -2.745 1.00 0.00 C ATOM 1109 CG2 ILE A 73 0.412 -2.512 -1.417 1.00 0.00 C ATOM 1110 CD1 ILE A 73 3.234 -2.078 -2.557 1.00 0.00 C ATOM 0 H ILE A 73 -1.735 -3.752 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 73 0.438 -4.694 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 73 0.783 -2.309 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.643 -4.079 -1.924 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.742 -3.890 -3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.995 -1.632 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.641 -2.240 -1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.532 -3.278 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.300 -2.303 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.033 -1.407 -3.392 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.932 -1.598 -1.626 1.00 0.00 H new ATOM 1122 N THR A 74 1.205 -6.197 -2.199 1.00 0.00 N ATOM 1123 CA THR A 74 1.440 -7.314 -1.234 1.00 0.00 C ATOM 1124 C THR A 74 2.950 -7.286 -0.942 1.00 0.00 C ATOM 1125 O THR A 74 3.722 -6.669 -1.660 1.00 0.00 O ATOM 1126 CB THR A 74 0.986 -8.652 -1.900 1.00 0.00 C ATOM 1127 OG1 THR A 74 1.452 -9.682 -1.028 1.00 0.00 O ATOM 1128 CG2 THR A 74 1.698 -8.921 -3.237 1.00 0.00 C ATOM 0 H THR A 74 1.928 -6.096 -2.912 1.00 0.00 H new ATOM 0 HA THR A 74 0.878 -7.218 -0.305 1.00 0.00 H new ATOM 0 HB THR A 74 -0.090 -8.612 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.197 -10.557 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.344 -9.863 -3.655 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.482 -8.111 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.774 -8.979 -3.071 1.00 0.00 H new ATOM 1136 N LEU A 75 3.295 -7.972 0.101 1.00 0.00 N ATOM 1137 CA LEU A 75 4.713 -8.089 0.590 1.00 0.00 C ATOM 1138 C LEU A 75 5.028 -9.565 0.916 1.00 0.00 C ATOM 1139 O LEU A 75 4.160 -10.268 1.408 1.00 0.00 O ATOM 1140 CB LEU A 75 4.776 -7.191 1.791 1.00 0.00 C ATOM 1141 CG LEU A 75 6.111 -6.418 1.941 1.00 0.00 C ATOM 1142 CD1 LEU A 75 5.864 -5.146 2.775 1.00 0.00 C ATOM 1143 CD2 LEU A 75 7.147 -7.305 2.640 1.00 0.00 C ATOM 0 H LEU A 75 2.625 -8.487 0.672 1.00 0.00 H new ATOM 0 HA LEU A 75 5.459 -7.789 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.958 -6.473 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.614 -7.790 2.687 1.00 0.00 H new ATOM 0 HG LEU A 75 6.489 -6.142 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.799 -4.596 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.130 -4.517 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.488 -5.424 3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.084 -6.758 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.779 -7.585 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.315 -8.204 2.047 1.00 0.00 H new ATOM 1155 N ASP A 76 6.239 -9.988 0.657 1.00 0.00 N ATOM 1156 CA ASP A 76 6.660 -11.406 0.929 1.00 0.00 C ATOM 1157 C ASP A 76 7.648 -11.505 2.087 1.00 0.00 C ATOM 1158 O ASP A 76 8.720 -12.076 2.043 1.00 0.00 O ATOM 1159 CB ASP A 76 7.256 -11.950 -0.409 1.00 0.00 C ATOM 1160 CG ASP A 76 8.647 -11.491 -0.843 1.00 0.00 C ATOM 1161 OD1 ASP A 76 9.331 -10.833 -0.094 1.00 0.00 O ATOM 1162 OD2 ASP A 76 8.964 -11.832 -1.966 1.00 0.00 O ATOM 0 H ASP A 76 6.973 -9.401 0.260 1.00 0.00 H new ATOM 0 HA ASP A 76 5.808 -12.008 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.275 -13.038 -0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.561 -11.692 -1.208 1.00 0.00 H new ATOM 1167 N ALA A 77 7.196 -10.961 3.170 1.00 0.00 N ATOM 1168 CA ALA A 77 8.075 -10.973 4.374 1.00 0.00 C ATOM 1169 C ALA A 77 7.755 -12.231 5.166 1.00 0.00 C ATOM 1170 O ALA A 77 6.592 -12.510 5.385 1.00 0.00 O ATOM 1171 CB ALA A 77 7.813 -9.764 5.280 1.00 0.00 C ATOM 0 H ALA A 77 6.284 -10.518 3.282 1.00 0.00 H new ATOM 0 HA ALA A 77 9.115 -10.940 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.473 -9.809 6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.004 -8.845 4.725 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.775 -9.777 5.613 1.00 0.00 H new ATOM 1177 N PRO A 78 8.791 -12.939 5.556 1.00 0.00 N ATOM 1178 CA PRO A 78 8.810 -13.775 6.777 1.00 0.00 C ATOM 1179 C PRO A 78 9.341 -12.892 7.916 1.00 0.00 C ATOM 1180 O PRO A 78 9.805 -11.785 7.690 1.00 0.00 O ATOM 1181 CB PRO A 78 9.732 -14.926 6.407 1.00 0.00 C ATOM 1182 CG PRO A 78 10.819 -14.230 5.509 1.00 0.00 C ATOM 1183 CD PRO A 78 10.083 -13.038 4.814 1.00 0.00 C ATOM 0 HA PRO A 78 7.849 -14.167 7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.173 -15.390 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.202 -15.710 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.658 -13.877 6.110 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.224 -14.925 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.658 -12.115 4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.922 -13.231 3.753 1.00 0.00 H new ATOM 1191 N GLY A 79 9.275 -13.394 9.108 1.00 0.00 N ATOM 1192 CA GLY A 79 9.761 -12.617 10.287 1.00 0.00 C ATOM 1193 C GLY A 79 8.487 -12.418 11.081 1.00 0.00 C ATOM 1194 O GLY A 79 8.496 -12.394 12.295 1.00 0.00 O ATOM 0 H GLY A 79 8.903 -14.318 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.514 -13.165 10.854 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.211 -11.669 9.993 1.00 0.00 H new ATOM 1198 N TYR A 80 7.452 -12.282 10.303 1.00 0.00 N ATOM 1199 CA TYR A 80 6.071 -12.076 10.776 1.00 0.00 C ATOM 1200 C TYR A 80 5.297 -13.236 10.111 1.00 0.00 C ATOM 1201 O TYR A 80 4.087 -13.104 10.037 1.00 0.00 O ATOM 1202 CB TYR A 80 5.556 -10.714 10.263 1.00 0.00 C ATOM 1203 CG TYR A 80 6.611 -9.602 10.478 1.00 0.00 C ATOM 1204 CD1 TYR A 80 7.718 -9.523 9.649 1.00 0.00 C ATOM 1205 CD2 TYR A 80 6.488 -8.681 11.503 1.00 0.00 C ATOM 1206 CE1 TYR A 80 8.665 -8.552 9.843 1.00 0.00 C ATOM 1207 CE2 TYR A 80 7.448 -7.703 11.687 1.00 0.00 C ATOM 1208 CZ TYR A 80 8.548 -7.637 10.852 1.00 0.00 C ATOM 1209 OH TYR A 80 9.541 -6.687 10.978 1.00 0.00 O ATOM 1210 OXT TYR A 80 5.961 -14.186 9.708 1.00 0.00 O ATOM 0 H TYR A 80 7.525 -12.309 9.286 1.00 0.00 H new ATOM 0 HA TYR A 80 5.969 -12.068 11.861 1.00 0.00 H new ATOM 0 HB2 TYR A 80 5.313 -10.789 9.203 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.635 -10.451 10.783 1.00 0.00 H new ATOM 0 HD1 TYR A 80 7.836 -10.233 8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.636 -8.726 12.165 1.00 0.00 H new ATOM 0 HE1 TYR A 80 9.521 -8.509 9.186 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.338 -6.987 12.488 1.00 0.00 H new ATOM 0 HH TYR A 80 9.336 -6.097 11.733 1.00 0.00 H new TER 1220 TYR A 80