USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 hydrogens (33 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 17 SER OG : rot -78:sc= 2.2 USER MOD Set 1.2: A 48 THR OG1 : rot -57:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0731 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 46:sc= 0.512 USER MOD Single : A 6 THR OG1 : rot -77:sc= 1.24 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 41:sc= 0.384 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 40 TYR OH : rot -168:sc= -1.01! USER MOD Single : A 46 MET CE :methyl -169:sc= 0 (180deg=-0.0638) USER MOD Single : A 54 SER OG : rot -87:sc= 1.04 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -107:sc= -0.24 USER MOD Single : A 79 ASN : amide:sc= 1.39 K(o=1.4,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.249 -0.056 4.114 1.00 4.11 N ATOM 2 CA MET A 1 21.334 -0.947 3.415 1.00 3.57 C ATOM 3 C MET A 1 19.976 -0.834 4.084 1.00 2.82 C ATOM 4 O MET A 1 19.899 -0.752 5.307 1.00 3.20 O ATOM 5 CB MET A 1 21.877 -2.390 3.462 1.00 4.13 C ATOM 6 CG MET A 1 21.126 -3.391 2.594 1.00 4.73 C ATOM 7 SD MET A 1 21.891 -5.030 2.634 1.00 5.41 S ATOM 8 CE MET A 1 20.824 -5.946 1.524 1.00 6.05 C ATOM 0 H1 MET A 1 23.190 -0.496 4.166 1.00 4.11 H new ATOM 0 H2 MET A 1 22.316 0.846 3.600 1.00 4.11 H new ATOM 0 H3 MET A 1 21.895 0.120 5.076 1.00 4.11 H new ATOM 0 HA MET A 1 21.239 -0.672 2.365 1.00 3.57 H new ATOM 0 HB2 MET A 1 22.923 -2.378 3.154 1.00 4.13 H new ATOM 0 HB3 MET A 1 21.852 -2.738 4.495 1.00 4.13 H new ATOM 0 HG2 MET A 1 20.094 -3.464 2.936 1.00 4.73 H new ATOM 0 HG3 MET A 1 21.097 -3.029 1.566 1.00 4.73 H new ATOM 0 HE1 MET A 1 21.174 -6.976 1.450 1.00 6.05 H new ATOM 0 HE2 MET A 1 19.804 -5.936 1.909 1.00 6.05 H new ATOM 0 HE3 MET A 1 20.844 -5.484 0.537 1.00 6.05 H new ATOM 20 N ALA A 2 18.927 -0.795 3.310 1.00 2.27 N ATOM 21 CA ALA A 2 17.599 -0.599 3.845 1.00 2.03 C ATOM 22 C ALA A 2 16.778 -1.868 3.718 1.00 1.61 C ATOM 23 O ALA A 2 16.940 -2.627 2.753 1.00 2.08 O ATOM 24 CB ALA A 2 16.909 0.551 3.125 1.00 2.71 C ATOM 0 H ALA A 2 18.963 -0.897 2.296 1.00 2.27 H new ATOM 0 HA ALA A 2 17.685 -0.352 4.903 1.00 2.03 H new ATOM 0 HB1 ALA A 2 15.909 0.690 3.536 1.00 2.71 H new ATOM 0 HB2 ALA A 2 17.487 1.465 3.261 1.00 2.71 H new ATOM 0 HB3 ALA A 2 16.836 0.323 2.062 1.00 2.71 H new ATOM 30 N THR A 3 15.928 -2.106 4.691 1.00 1.31 N ATOM 31 CA THR A 3 15.023 -3.235 4.692 1.00 1.19 C ATOM 32 C THR A 3 13.953 -3.050 3.613 1.00 0.95 C ATOM 33 O THR A 3 12.993 -2.286 3.803 1.00 1.12 O ATOM 34 CB THR A 3 14.347 -3.336 6.072 1.00 1.56 C ATOM 35 OG1 THR A 3 13.824 -2.048 6.443 1.00 2.44 O ATOM 36 CG2 THR A 3 15.328 -3.808 7.124 1.00 2.02 C ATOM 0 H THR A 3 15.844 -1.513 5.516 1.00 1.31 H new ATOM 0 HA THR A 3 15.582 -4.147 4.484 1.00 1.19 H new ATOM 0 HB THR A 3 13.537 -4.063 6.009 1.00 1.56 H new ATOM 0 HG1 THR A 3 13.350 -1.655 5.680 1.00 2.44 H new ATOM 0 HG21 THR A 3 14.825 -3.871 8.089 1.00 2.02 H new ATOM 0 HG22 THR A 3 15.710 -4.791 6.850 1.00 2.02 H new ATOM 0 HG23 THR A 3 16.156 -3.103 7.192 1.00 2.02 H new ATOM 44 N LEU A 4 14.188 -3.644 2.454 1.00 0.80 N ATOM 45 CA LEU A 4 13.262 -3.569 1.346 1.00 0.65 C ATOM 46 C LEU A 4 11.950 -4.246 1.772 1.00 0.68 C ATOM 47 O LEU A 4 11.977 -5.242 2.519 1.00 0.86 O ATOM 48 CB LEU A 4 13.862 -4.291 0.129 1.00 0.70 C ATOM 49 CG LEU A 4 13.349 -3.856 -1.231 1.00 0.69 C ATOM 50 CD1 LEU A 4 13.809 -2.433 -1.524 1.00 0.70 C ATOM 51 CD2 LEU A 4 13.834 -4.806 -2.314 1.00 1.01 C ATOM 0 H LEU A 4 15.027 -4.190 2.259 1.00 0.80 H new ATOM 0 HA LEU A 4 13.071 -2.531 1.074 1.00 0.65 H new ATOM 0 HB2 LEU A 4 14.943 -4.152 0.147 1.00 0.70 H new ATOM 0 HB3 LEU A 4 13.676 -5.359 0.239 1.00 0.70 H new ATOM 0 HG LEU A 4 12.259 -3.881 -1.221 1.00 0.69 H new ATOM 0 HD11 LEU A 4 13.438 -2.125 -2.502 1.00 0.70 H new ATOM 0 HD12 LEU A 4 13.420 -1.760 -0.760 1.00 0.70 H new ATOM 0 HD13 LEU A 4 14.898 -2.395 -1.520 1.00 0.70 H new ATOM 0 HD21 LEU A 4 13.456 -4.478 -3.282 1.00 1.01 H new ATOM 0 HD22 LEU A 4 14.924 -4.811 -2.333 1.00 1.01 H new ATOM 0 HD23 LEU A 4 13.471 -5.812 -2.105 1.00 1.01 H new ATOM 63 N LEU A 5 10.831 -3.719 1.354 1.00 0.60 N ATOM 64 CA LEU A 5 9.563 -4.276 1.757 1.00 0.64 C ATOM 65 C LEU A 5 9.174 -5.451 0.904 1.00 0.59 C ATOM 66 O LEU A 5 9.349 -5.435 -0.329 1.00 0.61 O ATOM 67 CB LEU A 5 8.431 -3.241 1.781 1.00 0.69 C ATOM 68 CG LEU A 5 8.438 -2.230 2.927 1.00 0.90 C ATOM 69 CD1 LEU A 5 9.497 -1.153 2.745 1.00 1.61 C ATOM 70 CD2 LEU A 5 7.049 -1.643 3.116 1.00 1.54 C ATOM 0 H LEU A 5 10.768 -2.909 0.738 1.00 0.60 H new ATOM 0 HA LEU A 5 9.708 -4.620 2.781 1.00 0.64 H new ATOM 0 HB2 LEU A 5 8.458 -2.688 0.842 1.00 0.69 H new ATOM 0 HB3 LEU A 5 7.482 -3.777 1.808 1.00 0.69 H new ATOM 0 HG LEU A 5 8.710 -2.760 3.840 1.00 0.90 H new ATOM 0 HD11 LEU A 5 9.460 -0.460 3.586 1.00 1.61 H new ATOM 0 HD12 LEU A 5 10.483 -1.616 2.699 1.00 1.61 H new ATOM 0 HD13 LEU A 5 9.308 -0.610 1.819 1.00 1.61 H new ATOM 0 HD21 LEU A 5 7.066 -0.924 3.935 1.00 1.54 H new ATOM 0 HD22 LEU A 5 6.738 -1.142 2.200 1.00 1.54 H new ATOM 0 HD23 LEU A 5 6.345 -2.442 3.349 1.00 1.54 H new ATOM 82 N THR A 6 8.687 -6.466 1.548 1.00 0.61 N ATOM 83 CA THR A 6 8.225 -7.636 0.879 1.00 0.63 C ATOM 84 C THR A 6 6.704 -7.586 0.782 1.00 0.57 C ATOM 85 O THR A 6 6.068 -6.579 1.177 1.00 0.59 O ATOM 86 CB THR A 6 8.639 -8.925 1.633 1.00 0.79 C ATOM 87 OG1 THR A 6 8.054 -8.921 2.952 1.00 0.95 O ATOM 88 CG2 THR A 6 10.156 -9.035 1.746 1.00 0.97 C ATOM 0 H THR A 6 8.599 -6.503 2.564 1.00 0.61 H new ATOM 0 HA THR A 6 8.676 -7.661 -0.113 1.00 0.63 H new ATOM 0 HB THR A 6 8.276 -9.784 1.068 1.00 0.79 H new ATOM 0 HG1 THR A 6 8.563 -8.319 3.534 1.00 0.95 H new ATOM 0 HG21 THR A 6 10.416 -9.949 2.280 1.00 0.97 H new ATOM 0 HG22 THR A 6 10.594 -9.060 0.748 1.00 0.97 H new ATOM 0 HG23 THR A 6 10.544 -8.174 2.291 1.00 0.97 H new ATOM 96 N THR A 7 6.119 -8.668 0.324 1.00 0.60 N ATOM 97 CA THR A 7 4.696 -8.787 0.229 1.00 0.59 C ATOM 98 C THR A 7 4.096 -8.818 1.652 1.00 0.53 C ATOM 99 O THR A 7 3.019 -8.280 1.898 1.00 0.56 O ATOM 100 CB THR A 7 4.343 -10.098 -0.506 1.00 0.69 C ATOM 101 OG1 THR A 7 5.208 -10.246 -1.659 1.00 0.90 O ATOM 102 CG2 THR A 7 2.896 -10.074 -0.978 1.00 0.81 C ATOM 0 H THR A 7 6.628 -9.493 0.006 1.00 0.60 H new ATOM 0 HA THR A 7 4.289 -7.939 -0.323 1.00 0.59 H new ATOM 0 HB THR A 7 4.480 -10.932 0.182 1.00 0.69 H new ATOM 0 HG1 THR A 7 4.989 -11.078 -2.128 1.00 0.90 H new ATOM 0 HG21 THR A 7 2.666 -11.006 -1.494 1.00 0.81 H new ATOM 0 HG22 THR A 7 2.235 -9.962 -0.119 1.00 0.81 H new ATOM 0 HG23 THR A 7 2.750 -9.236 -1.660 1.00 0.81 H new ATOM 110 N ASP A 8 4.846 -9.389 2.593 1.00 0.54 N ATOM 111 CA ASP A 8 4.367 -9.555 3.962 1.00 0.54 C ATOM 112 C ASP A 8 4.494 -8.283 4.766 1.00 0.52 C ATOM 113 O ASP A 8 3.686 -8.033 5.664 1.00 0.54 O ATOM 114 CB ASP A 8 5.047 -10.723 4.674 1.00 0.63 C ATOM 115 CG ASP A 8 4.670 -12.054 4.077 1.00 1.48 C ATOM 116 OD1 ASP A 8 3.635 -12.634 4.481 1.00 1.98 O ATOM 117 OD2 ASP A 8 5.402 -12.559 3.192 1.00 2.26 O ATOM 0 H ASP A 8 5.788 -9.744 2.431 1.00 0.54 H new ATOM 0 HA ASP A 8 3.306 -9.792 3.887 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.128 -10.597 4.622 1.00 0.63 H new ATOM 0 HB3 ASP A 8 4.775 -10.710 5.729 1.00 0.63 H new ATOM 122 N ASP A 9 5.486 -7.464 4.440 1.00 0.57 N ATOM 123 CA ASP A 9 5.646 -6.162 5.106 1.00 0.64 C ATOM 124 C ASP A 9 4.463 -5.290 4.783 1.00 0.59 C ATOM 125 O ASP A 9 3.919 -4.603 5.650 1.00 0.63 O ATOM 126 CB ASP A 9 6.933 -5.433 4.689 1.00 0.79 C ATOM 127 CG ASP A 9 8.202 -6.120 5.128 1.00 1.60 C ATOM 128 OD1 ASP A 9 8.606 -5.942 6.302 1.00 1.70 O ATOM 129 OD2 ASP A 9 8.804 -6.867 4.339 1.00 2.47 O ATOM 0 H ASP A 9 6.188 -7.667 3.728 1.00 0.57 H new ATOM 0 HA ASP A 9 5.712 -6.355 6.177 1.00 0.64 H new ATOM 0 HB2 ASP A 9 6.945 -5.332 3.604 1.00 0.79 H new ATOM 0 HB3 ASP A 9 6.917 -4.425 5.103 1.00 0.79 H new ATOM 134 N LEU A 10 4.058 -5.326 3.524 1.00 0.54 N ATOM 135 CA LEU A 10 2.903 -4.583 3.086 1.00 0.54 C ATOM 136 C LEU A 10 1.636 -5.195 3.669 1.00 0.53 C ATOM 137 O LEU A 10 0.791 -4.482 4.163 1.00 0.59 O ATOM 138 CB LEU A 10 2.816 -4.555 1.560 1.00 0.55 C ATOM 139 CG LEU A 10 1.628 -3.778 0.977 1.00 0.59 C ATOM 140 CD1 LEU A 10 1.708 -2.308 1.350 1.00 0.70 C ATOM 141 CD2 LEU A 10 1.569 -3.951 -0.526 1.00 0.65 C ATOM 0 H LEU A 10 4.518 -5.865 2.791 1.00 0.54 H new ATOM 0 HA LEU A 10 3.003 -3.557 3.441 1.00 0.54 H new ATOM 0 HB2 LEU A 10 3.737 -4.122 1.170 1.00 0.55 H new ATOM 0 HB3 LEU A 10 2.768 -5.582 1.198 1.00 0.55 H new ATOM 0 HG LEU A 10 0.711 -4.182 1.405 1.00 0.59 H new ATOM 0 HD11 LEU A 10 0.855 -1.778 0.925 1.00 0.70 H new ATOM 0 HD12 LEU A 10 1.695 -2.207 2.435 1.00 0.70 H new ATOM 0 HD13 LEU A 10 2.632 -1.883 0.957 1.00 0.70 H new ATOM 0 HD21 LEU A 10 0.721 -3.394 -0.923 1.00 0.65 H new ATOM 0 HD22 LEU A 10 2.490 -3.576 -0.972 1.00 0.65 H new ATOM 0 HD23 LEU A 10 1.453 -5.008 -0.766 1.00 0.65 H new ATOM 153 N ARG A 11 1.554 -6.528 3.608 1.00 0.49 N ATOM 154 CA ARG A 11 0.437 -7.345 4.140 1.00 0.50 C ATOM 155 C ARG A 11 -0.021 -6.847 5.491 1.00 0.54 C ATOM 156 O ARG A 11 -1.185 -6.506 5.670 1.00 0.63 O ATOM 157 CB ARG A 11 0.922 -8.798 4.264 1.00 0.51 C ATOM 158 CG ARG A 11 0.017 -9.766 5.010 1.00 0.61 C ATOM 159 CD ARG A 11 0.700 -11.116 5.114 1.00 0.72 C ATOM 160 NE ARG A 11 0.023 -12.027 6.029 1.00 0.96 N ATOM 161 CZ ARG A 11 0.585 -13.119 6.580 1.00 1.24 C ATOM 162 NH1 ARG A 11 1.853 -13.445 6.319 1.00 1.65 N ATOM 163 NH2 ARG A 11 -0.125 -13.868 7.394 1.00 1.80 N ATOM 0 H ARG A 11 2.283 -7.095 3.174 1.00 0.49 H new ATOM 0 HA ARG A 11 -0.411 -7.273 3.458 1.00 0.50 H new ATOM 0 HB2 ARG A 11 1.081 -9.189 3.259 1.00 0.51 H new ATOM 0 HB3 ARG A 11 1.892 -8.790 4.760 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -0.204 -9.381 6.005 1.00 0.61 H new ATOM 0 HG3 ARG A 11 -0.935 -9.867 4.488 1.00 0.61 H new ATOM 0 HD2 ARG A 11 0.746 -11.571 4.125 1.00 0.72 H new ATOM 0 HD3 ARG A 11 1.728 -10.972 5.447 1.00 0.72 H new ATOM 0 HE ARG A 11 -0.947 -11.822 6.269 1.00 0.96 H new ATOM 0 HH11 ARG A 11 2.411 -12.863 5.694 1.00 1.65 H new ATOM 0 HH12 ARG A 11 2.264 -14.276 6.745 1.00 1.65 H new ATOM 0 HH21 ARG A 11 -1.092 -13.620 7.603 1.00 1.80 H new ATOM 0 HH22 ARG A 11 0.291 -14.698 7.817 1.00 1.80 H new ATOM 177 N ARG A 12 0.916 -6.765 6.410 1.00 0.54 N ATOM 178 CA ARG A 12 0.651 -6.340 7.766 1.00 0.60 C ATOM 179 C ARG A 12 0.012 -4.954 7.815 1.00 0.58 C ATOM 180 O ARG A 12 -1.093 -4.782 8.343 1.00 0.66 O ATOM 181 CB ARG A 12 1.943 -6.346 8.558 1.00 0.68 C ATOM 182 CG ARG A 12 2.528 -7.725 8.793 1.00 0.80 C ATOM 183 CD ARG A 12 3.886 -7.616 9.443 1.00 0.96 C ATOM 184 NE ARG A 12 3.833 -6.814 10.660 1.00 1.50 N ATOM 185 CZ ARG A 12 4.867 -6.189 11.211 1.00 2.02 C ATOM 186 NH1 ARG A 12 6.088 -6.311 10.687 1.00 2.23 N ATOM 187 NH2 ARG A 12 4.666 -5.421 12.280 1.00 2.93 N ATOM 0 H ARG A 12 1.894 -6.994 6.234 1.00 0.54 H new ATOM 0 HA ARG A 12 -0.058 -7.041 8.206 1.00 0.60 H new ATOM 0 HB2 ARG A 12 2.679 -5.737 8.033 1.00 0.68 H new ATOM 0 HB3 ARG A 12 1.766 -5.871 9.523 1.00 0.68 H new ATOM 0 HG2 ARG A 12 1.860 -8.307 9.427 1.00 0.80 H new ATOM 0 HG3 ARG A 12 2.613 -8.257 7.846 1.00 0.80 H new ATOM 0 HD2 ARG A 12 4.259 -8.613 9.679 1.00 0.96 H new ATOM 0 HD3 ARG A 12 4.591 -7.169 8.742 1.00 0.96 H new ATOM 0 HE ARG A 12 2.929 -6.726 11.125 1.00 1.50 H new ATOM 0 HH11 ARG A 12 6.232 -6.887 9.858 1.00 2.23 H new ATOM 0 HH12 ARG A 12 6.878 -5.828 11.116 1.00 2.23 H new ATOM 0 HH21 ARG A 12 3.727 -5.319 12.665 1.00 2.93 H new ATOM 0 HH22 ARG A 12 5.451 -4.935 12.714 1.00 2.93 H new ATOM 201 N ALA A 13 0.675 -3.992 7.220 1.00 0.54 N ATOM 202 CA ALA A 13 0.216 -2.616 7.257 1.00 0.58 C ATOM 203 C ALA A 13 -1.064 -2.404 6.453 1.00 0.56 C ATOM 204 O ALA A 13 -1.885 -1.555 6.809 1.00 0.65 O ATOM 205 CB ALA A 13 1.301 -1.681 6.788 1.00 0.66 C ATOM 0 H ALA A 13 1.541 -4.134 6.700 1.00 0.54 H new ATOM 0 HA ALA A 13 -0.022 -2.389 8.296 1.00 0.58 H new ATOM 0 HB1 ALA A 13 0.937 -0.654 6.823 1.00 0.66 H new ATOM 0 HB2 ALA A 13 2.172 -1.780 7.436 1.00 0.66 H new ATOM 0 HB3 ALA A 13 1.580 -1.932 5.765 1.00 0.66 H new ATOM 211 N LEU A 14 -1.230 -3.159 5.380 1.00 0.53 N ATOM 212 CA LEU A 14 -2.419 -3.081 4.555 1.00 0.59 C ATOM 213 C LEU A 14 -3.653 -3.491 5.382 1.00 0.75 C ATOM 214 O LEU A 14 -4.673 -2.805 5.377 1.00 1.02 O ATOM 215 CB LEU A 14 -2.243 -3.974 3.315 1.00 0.54 C ATOM 216 CG LEU A 14 -3.283 -3.821 2.214 1.00 0.62 C ATOM 217 CD1 LEU A 14 -3.307 -2.400 1.706 1.00 0.62 C ATOM 218 CD2 LEU A 14 -2.990 -4.771 1.073 1.00 1.06 C ATOM 0 H LEU A 14 -0.544 -3.842 5.058 1.00 0.53 H new ATOM 0 HA LEU A 14 -2.571 -2.057 4.214 1.00 0.59 H new ATOM 0 HB2 LEU A 14 -1.261 -3.773 2.887 1.00 0.54 H new ATOM 0 HB3 LEU A 14 -2.242 -5.014 3.641 1.00 0.54 H new ATOM 0 HG LEU A 14 -4.261 -4.063 2.631 1.00 0.62 H new ATOM 0 HD11 LEU A 14 -4.056 -2.307 0.919 1.00 0.62 H new ATOM 0 HD12 LEU A 14 -3.556 -1.725 2.525 1.00 0.62 H new ATOM 0 HD13 LEU A 14 -2.327 -2.140 1.306 1.00 0.62 H new ATOM 0 HD21 LEU A 14 -3.743 -4.648 0.295 1.00 1.06 H new ATOM 0 HD22 LEU A 14 -2.004 -4.553 0.662 1.00 1.06 H new ATOM 0 HD23 LEU A 14 -3.011 -5.797 1.440 1.00 1.06 H new ATOM 230 N VAL A 15 -3.511 -4.575 6.138 1.00 0.71 N ATOM 231 CA VAL A 15 -4.568 -5.048 7.036 1.00 0.83 C ATOM 232 C VAL A 15 -4.876 -3.984 8.100 1.00 0.85 C ATOM 233 O VAL A 15 -6.043 -3.689 8.376 1.00 0.98 O ATOM 234 CB VAL A 15 -4.168 -6.391 7.723 1.00 0.89 C ATOM 235 CG1 VAL A 15 -5.212 -6.827 8.746 1.00 1.02 C ATOM 236 CG2 VAL A 15 -3.994 -7.487 6.677 1.00 0.91 C ATOM 0 H VAL A 15 -2.668 -5.149 6.149 1.00 0.71 H new ATOM 0 HA VAL A 15 -5.462 -5.226 6.438 1.00 0.83 H new ATOM 0 HB VAL A 15 -3.224 -6.227 8.243 1.00 0.89 H new ATOM 0 HG11 VAL A 15 -4.902 -7.766 9.205 1.00 1.02 H new ATOM 0 HG12 VAL A 15 -5.309 -6.061 9.516 1.00 1.02 H new ATOM 0 HG13 VAL A 15 -6.172 -6.966 8.249 1.00 1.02 H new ATOM 0 HG21 VAL A 15 -3.715 -8.419 7.169 1.00 0.91 H new ATOM 0 HG22 VAL A 15 -4.931 -7.628 6.138 1.00 0.91 H new ATOM 0 HG23 VAL A 15 -3.211 -7.199 5.975 1.00 0.91 H new ATOM 246 N GLU A 16 -3.826 -3.421 8.705 1.00 0.81 N ATOM 247 CA GLU A 16 -3.988 -2.369 9.703 1.00 0.87 C ATOM 248 C GLU A 16 -4.687 -1.126 9.134 1.00 0.89 C ATOM 249 O GLU A 16 -5.529 -0.531 9.793 1.00 1.05 O ATOM 250 CB GLU A 16 -2.649 -1.955 10.289 1.00 0.91 C ATOM 251 CG GLU A 16 -1.891 -3.070 10.959 1.00 1.00 C ATOM 252 CD GLU A 16 -0.675 -2.546 11.661 1.00 1.30 C ATOM 253 OE1 GLU A 16 -0.776 -2.073 12.806 1.00 1.90 O ATOM 254 OE2 GLU A 16 0.435 -2.655 11.117 1.00 1.91 O ATOM 0 H GLU A 16 -2.857 -3.678 8.519 1.00 0.81 H new ATOM 0 HA GLU A 16 -4.617 -2.792 10.486 1.00 0.87 H new ATOM 0 HB2 GLU A 16 -2.031 -1.539 9.493 1.00 0.91 H new ATOM 0 HB3 GLU A 16 -2.814 -1.158 11.014 1.00 0.91 H new ATOM 0 HG2 GLU A 16 -2.539 -3.576 11.675 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -1.596 -3.811 10.217 1.00 1.00 H new ATOM 261 N SER A 17 -4.344 -0.753 7.914 1.00 0.82 N ATOM 262 CA SER A 17 -4.896 0.449 7.304 1.00 0.93 C ATOM 263 C SER A 17 -6.324 0.255 6.796 1.00 1.03 C ATOM 264 O SER A 17 -7.008 1.217 6.427 1.00 1.22 O ATOM 265 CB SER A 17 -3.970 0.985 6.221 1.00 0.96 C ATOM 266 OG SER A 17 -3.568 -0.035 5.312 1.00 1.58 O ATOM 0 H SER A 17 -3.686 -1.263 7.324 1.00 0.82 H new ATOM 0 HA SER A 17 -4.962 1.203 8.089 1.00 0.93 H new ATOM 0 HB2 SER A 17 -4.475 1.781 5.673 1.00 0.96 H new ATOM 0 HB3 SER A 17 -3.088 1.427 6.684 1.00 0.96 H new ATOM 0 HG SER A 17 -2.865 -0.580 5.722 1.00 1.58 H new ATOM 272 N ALA A 18 -6.777 -0.975 6.773 1.00 1.04 N ATOM 273 CA ALA A 18 -8.133 -1.240 6.424 1.00 1.24 C ATOM 274 C ALA A 18 -8.974 -1.043 7.656 1.00 1.43 C ATOM 275 O ALA A 18 -9.089 -1.946 8.489 1.00 1.88 O ATOM 276 CB ALA A 18 -8.297 -2.629 5.870 1.00 1.25 C ATOM 0 H ALA A 18 -6.220 -1.801 6.993 1.00 1.04 H new ATOM 0 HA ALA A 18 -8.453 -0.555 5.639 1.00 1.24 H new ATOM 0 HB1 ALA A 18 -9.343 -2.798 5.614 1.00 1.25 H new ATOM 0 HB2 ALA A 18 -7.683 -2.739 4.976 1.00 1.25 H new ATOM 0 HB3 ALA A 18 -7.984 -3.358 6.617 1.00 1.25 H new ATOM 282 N GLY A 19 -9.506 0.166 7.777 1.00 1.86 N ATOM 283 CA GLY A 19 -10.266 0.620 8.943 1.00 2.13 C ATOM 284 C GLY A 19 -11.262 -0.382 9.482 1.00 2.09 C ATOM 285 O GLY A 19 -11.244 -0.709 10.671 1.00 2.45 O ATOM 0 H GLY A 19 -9.421 0.878 7.052 1.00 1.86 H new ATOM 0 HA2 GLY A 19 -9.566 0.878 9.737 1.00 2.13 H new ATOM 0 HA3 GLY A 19 -10.798 1.534 8.679 1.00 2.13 H new ATOM 289 N GLU A 20 -12.120 -0.883 8.633 1.00 2.13 N ATOM 290 CA GLU A 20 -13.103 -1.851 9.075 1.00 2.46 C ATOM 291 C GLU A 20 -12.984 -3.124 8.244 1.00 2.48 C ATOM 292 O GLU A 20 -13.659 -4.127 8.478 1.00 3.18 O ATOM 293 CB GLU A 20 -14.487 -1.236 8.956 1.00 3.09 C ATOM 294 CG GLU A 20 -15.598 -2.024 9.595 1.00 3.54 C ATOM 295 CD GLU A 20 -16.916 -1.377 9.365 1.00 4.23 C ATOM 296 OE1 GLU A 20 -17.274 -0.462 10.122 1.00 4.67 O ATOM 297 OE2 GLU A 20 -17.605 -1.751 8.403 1.00 4.69 O ATOM 0 H GLU A 20 -12.163 -0.644 7.642 1.00 2.13 H new ATOM 0 HA GLU A 20 -12.930 -2.118 10.117 1.00 2.46 H new ATOM 0 HB2 GLU A 20 -14.465 -0.242 9.403 1.00 3.09 H new ATOM 0 HB3 GLU A 20 -14.718 -1.104 7.899 1.00 3.09 H new ATOM 0 HG2 GLU A 20 -15.610 -3.035 9.189 1.00 3.54 H new ATOM 0 HG3 GLU A 20 -15.415 -2.113 10.666 1.00 3.54 H new ATOM 304 N THR A 21 -12.082 -3.096 7.328 1.00 2.07 N ATOM 305 CA THR A 21 -11.903 -4.175 6.405 1.00 2.31 C ATOM 306 C THR A 21 -10.684 -5.023 6.807 1.00 2.42 C ATOM 307 O THR A 21 -9.947 -5.540 5.983 1.00 2.89 O ATOM 308 CB THR A 21 -11.797 -3.612 4.965 1.00 2.31 C ATOM 309 OG1 THR A 21 -12.865 -2.655 4.781 1.00 2.58 O ATOM 310 CG2 THR A 21 -11.965 -4.708 3.918 1.00 2.00 C ATOM 0 H THR A 21 -11.437 -2.318 7.192 1.00 2.07 H new ATOM 0 HA THR A 21 -12.767 -4.839 6.432 1.00 2.31 H new ATOM 0 HB THR A 21 -10.812 -3.161 4.841 1.00 2.31 H new ATOM 0 HG1 THR A 21 -12.818 -2.283 3.876 1.00 2.58 H new ATOM 0 HG21 THR A 21 -11.885 -4.274 2.921 1.00 2.00 H new ATOM 0 HG22 THR A 21 -11.187 -5.460 4.050 1.00 2.00 H new ATOM 0 HG23 THR A 21 -12.944 -5.174 4.033 1.00 2.00 H new ATOM 318 N ASP A 22 -10.547 -5.246 8.100 1.00 2.59 N ATOM 319 CA ASP A 22 -9.482 -6.080 8.612 1.00 2.92 C ATOM 320 C ASP A 22 -9.931 -7.527 8.699 1.00 2.46 C ATOM 321 O ASP A 22 -9.248 -8.400 9.234 1.00 3.05 O ATOM 322 CB ASP A 22 -8.950 -5.578 9.941 1.00 3.98 C ATOM 323 CG ASP A 22 -9.982 -5.495 11.053 1.00 4.45 C ATOM 324 OD1 ASP A 22 -10.311 -6.543 11.651 1.00 4.98 O ATOM 325 OD2 ASP A 22 -10.517 -4.401 11.326 1.00 4.62 O ATOM 0 H ASP A 22 -11.163 -4.859 8.815 1.00 2.59 H new ATOM 0 HA ASP A 22 -8.653 -6.024 7.907 1.00 2.92 H new ATOM 0 HB2 ASP A 22 -8.142 -6.234 10.264 1.00 3.98 H new ATOM 0 HB3 ASP A 22 -8.517 -4.589 9.792 1.00 3.98 H new ATOM 330 N GLY A 23 -11.033 -7.755 8.089 1.00 1.97 N ATOM 331 CA GLY A 23 -11.653 -9.046 8.018 1.00 2.01 C ATOM 332 C GLY A 23 -11.828 -9.422 6.582 1.00 1.57 C ATOM 333 O GLY A 23 -12.933 -9.700 6.113 1.00 1.97 O ATOM 0 H GLY A 23 -11.557 -7.027 7.603 1.00 1.97 H new ATOM 0 HA2 GLY A 23 -11.039 -9.787 8.529 1.00 2.01 H new ATOM 0 HA3 GLY A 23 -12.619 -9.028 8.523 1.00 2.01 H new ATOM 337 N THR A 24 -10.748 -9.368 5.863 1.00 1.42 N ATOM 338 CA THR A 24 -10.749 -9.676 4.468 1.00 1.24 C ATOM 339 C THR A 24 -9.796 -10.858 4.195 1.00 1.16 C ATOM 340 O THR A 24 -9.330 -11.492 5.132 1.00 1.49 O ATOM 341 CB THR A 24 -10.425 -8.409 3.601 1.00 1.62 C ATOM 342 OG1 THR A 24 -10.469 -8.702 2.197 1.00 2.43 O ATOM 343 CG2 THR A 24 -9.070 -7.829 3.972 1.00 1.98 C ATOM 0 H THR A 24 -9.834 -9.106 6.233 1.00 1.42 H new ATOM 0 HA THR A 24 -11.750 -9.988 4.168 1.00 1.24 H new ATOM 0 HB THR A 24 -11.195 -7.668 3.815 1.00 1.62 H new ATOM 0 HG1 THR A 24 -11.230 -9.290 2.009 1.00 2.43 H new ATOM 0 HG21 THR A 24 -8.869 -6.952 3.357 1.00 1.98 H new ATOM 0 HG22 THR A 24 -9.073 -7.542 5.024 1.00 1.98 H new ATOM 0 HG23 THR A 24 -8.295 -8.577 3.802 1.00 1.98 H new ATOM 351 N ASP A 25 -9.469 -11.106 2.961 1.00 1.06 N ATOM 352 CA ASP A 25 -8.679 -12.282 2.593 1.00 1.14 C ATOM 353 C ASP A 25 -7.226 -11.872 2.291 1.00 0.91 C ATOM 354 O ASP A 25 -6.465 -12.591 1.658 1.00 1.11 O ATOM 355 CB ASP A 25 -9.343 -12.967 1.377 1.00 1.52 C ATOM 356 CG ASP A 25 -8.894 -14.406 1.177 1.00 1.99 C ATOM 357 OD1 ASP A 25 -9.101 -15.220 2.088 1.00 2.49 O ATOM 358 OD2 ASP A 25 -8.342 -14.750 0.103 1.00 2.41 O ATOM 0 H ASP A 25 -9.732 -10.514 2.174 1.00 1.06 H new ATOM 0 HA ASP A 25 -8.650 -12.991 3.421 1.00 1.14 H new ATOM 0 HB2 ASP A 25 -10.425 -12.946 1.503 1.00 1.52 H new ATOM 0 HB3 ASP A 25 -9.116 -12.395 0.478 1.00 1.52 H new ATOM 363 N LEU A 26 -6.837 -10.731 2.833 1.00 0.84 N ATOM 364 CA LEU A 26 -5.499 -10.125 2.631 1.00 0.77 C ATOM 365 C LEU A 26 -4.370 -10.825 3.418 1.00 0.86 C ATOM 366 O LEU A 26 -3.450 -10.181 3.912 1.00 1.05 O ATOM 367 CB LEU A 26 -5.543 -8.630 2.973 1.00 0.94 C ATOM 368 CG LEU A 26 -5.846 -7.654 1.815 1.00 0.85 C ATOM 369 CD1 LEU A 26 -7.093 -8.052 1.031 1.00 1.22 C ATOM 370 CD2 LEU A 26 -6.012 -6.254 2.366 1.00 1.11 C ATOM 0 H LEU A 26 -7.441 -10.177 3.440 1.00 0.84 H new ATOM 0 HA LEU A 26 -5.257 -10.261 1.577 1.00 0.77 H new ATOM 0 HB2 LEU A 26 -6.296 -8.482 3.747 1.00 0.94 H new ATOM 0 HB3 LEU A 26 -4.582 -8.353 3.406 1.00 0.94 H new ATOM 0 HG LEU A 26 -5.004 -7.691 1.124 1.00 0.85 H new ATOM 0 HD11 LEU A 26 -7.263 -7.334 0.228 1.00 1.22 H new ATOM 0 HD12 LEU A 26 -6.954 -9.046 0.606 1.00 1.22 H new ATOM 0 HD13 LEU A 26 -7.955 -8.061 1.698 1.00 1.22 H new ATOM 0 HD21 LEU A 26 -6.226 -5.565 1.549 1.00 1.11 H new ATOM 0 HD22 LEU A 26 -6.836 -6.239 3.079 1.00 1.11 H new ATOM 0 HD23 LEU A 26 -5.093 -5.949 2.867 1.00 1.11 H new ATOM 382 N SER A 27 -4.412 -12.117 3.465 1.00 0.96 N ATOM 383 CA SER A 27 -3.393 -12.890 4.095 1.00 1.13 C ATOM 384 C SER A 27 -2.983 -13.962 3.100 1.00 1.20 C ATOM 385 O SER A 27 -3.851 -14.641 2.534 1.00 1.66 O ATOM 386 CB SER A 27 -3.920 -13.512 5.401 1.00 1.36 C ATOM 387 OG SER A 27 -2.867 -14.058 6.175 1.00 1.89 O ATOM 0 H SER A 27 -5.166 -12.672 3.061 1.00 0.96 H new ATOM 0 HA SER A 27 -2.537 -12.272 4.366 1.00 1.13 H new ATOM 0 HB2 SER A 27 -4.445 -12.753 5.981 1.00 1.36 H new ATOM 0 HB3 SER A 27 -4.645 -14.292 5.168 1.00 1.36 H new ATOM 0 HG SER A 27 -3.232 -14.444 6.998 1.00 1.89 H new ATOM 393 N GLY A 28 -1.701 -14.076 2.841 1.00 1.48 N ATOM 394 CA GLY A 28 -1.228 -15.039 1.879 1.00 1.67 C ATOM 395 C GLY A 28 -0.958 -14.387 0.542 1.00 1.54 C ATOM 396 O GLY A 28 -0.290 -13.344 0.464 1.00 2.30 O ATOM 0 H GLY A 28 -0.971 -13.516 3.282 1.00 1.48 H new ATOM 0 HA2 GLY A 28 -0.316 -15.509 2.248 1.00 1.67 H new ATOM 0 HA3 GLY A 28 -1.968 -15.830 1.758 1.00 1.67 H new ATOM 400 N ASP A 29 -1.467 -14.968 -0.514 1.00 1.09 N ATOM 401 CA ASP A 29 -1.292 -14.397 -1.831 1.00 1.07 C ATOM 402 C ASP A 29 -2.453 -13.527 -2.184 1.00 0.87 C ATOM 403 O ASP A 29 -3.425 -13.960 -2.795 1.00 1.13 O ATOM 404 CB ASP A 29 -1.023 -15.436 -2.931 1.00 1.48 C ATOM 405 CG ASP A 29 0.303 -16.120 -2.763 1.00 2.24 C ATOM 406 OD1 ASP A 29 1.357 -15.476 -3.007 1.00 2.56 O ATOM 407 OD2 ASP A 29 0.322 -17.304 -2.373 1.00 2.97 O ATOM 0 H ASP A 29 -2.005 -15.834 -0.491 1.00 1.09 H new ATOM 0 HA ASP A 29 -0.389 -13.788 -1.779 1.00 1.07 H new ATOM 0 HB2 ASP A 29 -1.817 -16.183 -2.923 1.00 1.48 H new ATOM 0 HB3 ASP A 29 -1.055 -14.947 -3.904 1.00 1.48 H new ATOM 412 N PHE A 30 -2.378 -12.320 -1.735 1.00 0.67 N ATOM 413 CA PHE A 30 -3.404 -11.323 -1.986 1.00 0.57 C ATOM 414 C PHE A 30 -2.853 -10.291 -2.955 1.00 0.49 C ATOM 415 O PHE A 30 -3.491 -9.301 -3.253 1.00 0.48 O ATOM 416 CB PHE A 30 -3.782 -10.627 -0.656 1.00 0.59 C ATOM 417 CG PHE A 30 -2.634 -9.858 -0.029 1.00 0.55 C ATOM 418 CD1 PHE A 30 -1.703 -10.507 0.773 1.00 0.64 C ATOM 419 CD2 PHE A 30 -2.504 -8.494 -0.220 1.00 0.58 C ATOM 420 CE1 PHE A 30 -0.673 -9.811 1.360 1.00 0.74 C ATOM 421 CE2 PHE A 30 -1.477 -7.797 0.369 1.00 0.65 C ATOM 422 CZ PHE A 30 -0.514 -8.453 1.068 1.00 0.73 C ATOM 0 H PHE A 30 -1.598 -11.978 -1.174 1.00 0.67 H new ATOM 0 HA PHE A 30 -4.289 -11.798 -2.409 1.00 0.57 H new ATOM 0 HB2 PHE A 30 -4.612 -9.943 -0.836 1.00 0.59 H new ATOM 0 HB3 PHE A 30 -4.135 -11.378 0.051 1.00 0.59 H new ATOM 0 HD1 PHE A 30 -1.790 -11.571 0.937 1.00 0.64 H new ATOM 0 HD2 PHE A 30 -3.218 -7.971 -0.839 1.00 0.58 H new ATOM 0 HE1 PHE A 30 0.005 -10.307 2.038 1.00 0.74 H new ATOM 0 HE2 PHE A 30 -1.435 -6.722 0.276 1.00 0.65 H new ATOM 0 HZ PHE A 30 0.371 -7.928 1.397 1.00 0.73 H new ATOM 432 N LEU A 31 -1.673 -10.573 -3.469 1.00 0.54 N ATOM 433 CA LEU A 31 -0.915 -9.619 -4.263 1.00 0.60 C ATOM 434 C LEU A 31 -1.605 -9.265 -5.596 1.00 0.63 C ATOM 435 O LEU A 31 -1.382 -8.185 -6.145 1.00 0.72 O ATOM 436 CB LEU A 31 0.506 -10.150 -4.495 1.00 0.75 C ATOM 437 CG LEU A 31 1.525 -9.142 -5.037 1.00 0.82 C ATOM 438 CD1 LEU A 31 1.697 -7.990 -4.060 1.00 0.75 C ATOM 439 CD2 LEU A 31 2.856 -9.818 -5.278 1.00 1.43 C ATOM 0 H LEU A 31 -1.208 -11.473 -3.349 1.00 0.54 H new ATOM 0 HA LEU A 31 -0.864 -8.689 -3.697 1.00 0.60 H new ATOM 0 HB2 LEU A 31 0.883 -10.544 -3.551 1.00 0.75 H new ATOM 0 HB3 LEU A 31 0.449 -10.988 -5.190 1.00 0.75 H new ATOM 0 HG LEU A 31 1.154 -8.749 -5.984 1.00 0.82 H new ATOM 0 HD11 LEU A 31 2.424 -7.281 -4.457 1.00 0.75 H new ATOM 0 HD12 LEU A 31 0.740 -7.487 -3.918 1.00 0.75 H new ATOM 0 HD13 LEU A 31 2.051 -8.374 -3.103 1.00 0.75 H new ATOM 0 HD21 LEU A 31 3.570 -9.090 -5.663 1.00 1.43 H new ATOM 0 HD22 LEU A 31 3.229 -10.231 -4.341 1.00 1.43 H new ATOM 0 HD23 LEU A 31 2.730 -10.621 -6.004 1.00 1.43 H new ATOM 451 N ASP A 32 -2.447 -10.156 -6.091 1.00 0.66 N ATOM 452 CA ASP A 32 -3.157 -9.910 -7.351 1.00 0.83 C ATOM 453 C ASP A 32 -4.509 -9.253 -7.090 1.00 0.73 C ATOM 454 O ASP A 32 -5.138 -8.702 -7.992 1.00 0.96 O ATOM 455 CB ASP A 32 -3.357 -11.218 -8.133 1.00 1.10 C ATOM 456 CG ASP A 32 -3.849 -10.970 -9.549 1.00 1.70 C ATOM 457 OD1 ASP A 32 -3.053 -10.591 -10.436 1.00 2.33 O ATOM 458 OD2 ASP A 32 -5.063 -11.154 -9.789 1.00 2.26 O ATOM 0 H ASP A 32 -2.660 -11.051 -5.650 1.00 0.66 H new ATOM 0 HA ASP A 32 -2.546 -9.235 -7.950 1.00 0.83 H new ATOM 0 HB2 ASP A 32 -2.415 -11.766 -8.168 1.00 1.10 H new ATOM 0 HB3 ASP A 32 -4.073 -11.848 -7.606 1.00 1.10 H new ATOM 463 N LEU A 33 -4.928 -9.273 -5.841 1.00 0.50 N ATOM 464 CA LEU A 33 -6.224 -8.751 -5.460 1.00 0.50 C ATOM 465 C LEU A 33 -6.158 -7.223 -5.468 1.00 0.50 C ATOM 466 O LEU A 33 -5.291 -6.630 -4.840 1.00 0.78 O ATOM 467 CB LEU A 33 -6.616 -9.323 -4.088 1.00 0.49 C ATOM 468 CG LEU A 33 -8.026 -9.038 -3.576 1.00 0.64 C ATOM 469 CD1 LEU A 33 -9.069 -9.507 -4.584 1.00 0.77 C ATOM 470 CD2 LEU A 33 -8.232 -9.752 -2.246 1.00 0.70 C ATOM 0 H LEU A 33 -4.383 -9.649 -5.065 1.00 0.50 H new ATOM 0 HA LEU A 33 -6.997 -9.053 -6.167 1.00 0.50 H new ATOM 0 HB2 LEU A 33 -6.485 -10.404 -4.126 1.00 0.49 H new ATOM 0 HB3 LEU A 33 -5.909 -8.942 -3.351 1.00 0.49 H new ATOM 0 HG LEU A 33 -8.142 -7.963 -3.438 1.00 0.64 H new ATOM 0 HD11 LEU A 33 -10.067 -9.295 -4.200 1.00 0.77 H new ATOM 0 HD12 LEU A 33 -8.924 -8.982 -5.528 1.00 0.77 H new ATOM 0 HD13 LEU A 33 -8.963 -10.580 -4.745 1.00 0.77 H new ATOM 0 HD21 LEU A 33 -9.238 -9.551 -1.877 1.00 0.70 H new ATOM 0 HD22 LEU A 33 -8.105 -10.825 -2.386 1.00 0.70 H new ATOM 0 HD23 LEU A 33 -7.501 -9.391 -1.522 1.00 0.70 H new ATOM 482 N ARG A 34 -7.060 -6.605 -6.184 1.00 0.34 N ATOM 483 CA ARG A 34 -6.972 -5.175 -6.451 1.00 0.37 C ATOM 484 C ARG A 34 -7.683 -4.355 -5.390 1.00 0.35 C ATOM 485 O ARG A 34 -8.687 -4.802 -4.821 1.00 0.40 O ATOM 486 CB ARG A 34 -7.550 -4.856 -7.834 1.00 0.45 C ATOM 487 CG ARG A 34 -6.970 -5.714 -8.946 1.00 0.60 C ATOM 488 CD ARG A 34 -7.504 -5.317 -10.301 1.00 1.01 C ATOM 489 NE ARG A 34 -7.194 -6.325 -11.327 1.00 1.74 N ATOM 490 CZ ARG A 34 -6.981 -6.073 -12.624 1.00 2.51 C ATOM 491 NH1 ARG A 34 -6.659 -4.846 -13.028 1.00 2.74 N ATOM 492 NH2 ARG A 34 -6.997 -7.074 -13.502 1.00 3.50 N ATOM 0 H ARG A 34 -7.871 -7.063 -6.599 1.00 0.34 H new ATOM 0 HA ARG A 34 -5.917 -4.904 -6.427 1.00 0.37 H new ATOM 0 HB2 ARG A 34 -8.631 -4.992 -7.807 1.00 0.45 H new ATOM 0 HB3 ARG A 34 -7.366 -3.806 -8.062 1.00 0.45 H new ATOM 0 HG2 ARG A 34 -5.884 -5.625 -8.944 1.00 0.60 H new ATOM 0 HG3 ARG A 34 -7.205 -6.761 -8.756 1.00 0.60 H new ATOM 0 HD2 ARG A 34 -8.584 -5.180 -10.240 1.00 1.01 H new ATOM 0 HD3 ARG A 34 -7.077 -4.358 -10.593 1.00 1.01 H new ATOM 0 HE ARG A 34 -7.137 -7.297 -11.024 1.00 1.74 H new ATOM 0 HH11 ARG A 34 -6.573 -4.091 -12.347 1.00 2.74 H new ATOM 0 HH12 ARG A 34 -6.498 -4.661 -14.018 1.00 2.74 H new ATOM 0 HH21 ARG A 34 -7.171 -8.028 -13.185 1.00 3.50 H new ATOM 0 HH22 ARG A 34 -6.835 -6.887 -14.492 1.00 3.50 H new ATOM 506 N PHE A 35 -7.190 -3.131 -5.171 1.00 0.36 N ATOM 507 CA PHE A 35 -7.734 -2.208 -4.151 1.00 0.39 C ATOM 508 C PHE A 35 -9.185 -1.853 -4.431 1.00 0.47 C ATOM 509 O PHE A 35 -9.954 -1.538 -3.512 1.00 0.54 O ATOM 510 CB PHE A 35 -6.903 -0.921 -4.058 1.00 0.41 C ATOM 511 CG PHE A 35 -5.501 -1.104 -3.545 1.00 0.38 C ATOM 512 CD1 PHE A 35 -5.231 -1.106 -2.188 1.00 0.42 C ATOM 513 CD2 PHE A 35 -4.455 -1.297 -4.429 1.00 0.42 C ATOM 514 CE1 PHE A 35 -3.941 -1.292 -1.727 1.00 0.47 C ATOM 515 CE2 PHE A 35 -3.167 -1.487 -3.970 1.00 0.47 C ATOM 516 CZ PHE A 35 -2.915 -1.398 -2.579 1.00 0.47 C ATOM 0 H PHE A 35 -6.402 -2.746 -5.692 1.00 0.36 H new ATOM 0 HA PHE A 35 -7.681 -2.734 -3.198 1.00 0.39 H new ATOM 0 HB2 PHE A 35 -6.855 -0.465 -5.047 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -7.423 -0.217 -3.408 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.036 -0.961 -1.482 1.00 0.42 H new ATOM 0 HD2 PHE A 35 -4.648 -1.299 -5.492 1.00 0.42 H new ATOM 0 HE1 PHE A 35 -3.759 -1.353 -0.664 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -2.364 -1.700 -4.660 1.00 0.47 H new ATOM 0 HZ PHE A 35 -1.901 -1.416 -2.208 1.00 0.47 H new ATOM 526 N GLU A 36 -9.540 -1.926 -5.693 1.00 0.57 N ATOM 527 CA GLU A 36 -10.867 -1.592 -6.169 1.00 0.76 C ATOM 528 C GLU A 36 -11.921 -2.519 -5.553 1.00 0.74 C ATOM 529 O GLU A 36 -12.967 -2.065 -5.082 1.00 0.87 O ATOM 530 CB GLU A 36 -10.911 -1.733 -7.683 1.00 0.97 C ATOM 531 CG GLU A 36 -9.798 -1.009 -8.417 1.00 1.31 C ATOM 532 CD GLU A 36 -9.861 -1.239 -9.904 1.00 1.56 C ATOM 533 OE1 GLU A 36 -9.847 -2.415 -10.330 1.00 2.06 O ATOM 534 OE2 GLU A 36 -9.929 -0.265 -10.671 1.00 1.81 O ATOM 0 H GLU A 36 -8.905 -2.224 -6.433 1.00 0.57 H new ATOM 0 HA GLU A 36 -11.088 -0.566 -5.876 1.00 0.76 H new ATOM 0 HB2 GLU A 36 -10.868 -2.792 -7.938 1.00 0.97 H new ATOM 0 HB3 GLU A 36 -11.869 -1.358 -8.042 1.00 0.97 H new ATOM 0 HG2 GLU A 36 -9.864 0.060 -8.212 1.00 1.31 H new ATOM 0 HG3 GLU A 36 -8.834 -1.347 -8.038 1.00 1.31 H new ATOM 541 N ASP A 37 -11.637 -3.817 -5.527 1.00 0.66 N ATOM 542 CA ASP A 37 -12.636 -4.772 -5.043 1.00 0.73 C ATOM 543 C ASP A 37 -12.574 -4.927 -3.534 1.00 0.73 C ATOM 544 O ASP A 37 -13.560 -5.255 -2.879 1.00 0.89 O ATOM 545 CB ASP A 37 -12.504 -6.131 -5.735 1.00 0.75 C ATOM 546 CG ASP A 37 -13.709 -7.013 -5.474 1.00 1.29 C ATOM 547 OD1 ASP A 37 -14.787 -6.716 -6.025 1.00 1.28 O ATOM 548 OD2 ASP A 37 -13.621 -7.985 -4.700 1.00 2.20 O ATOM 0 H ASP A 37 -10.752 -4.227 -5.825 1.00 0.66 H new ATOM 0 HA ASP A 37 -13.614 -4.364 -5.298 1.00 0.73 H new ATOM 0 HB2 ASP A 37 -12.387 -5.983 -6.809 1.00 0.75 H new ATOM 0 HB3 ASP A 37 -11.603 -6.633 -5.383 1.00 0.75 H new ATOM 553 N ILE A 38 -11.418 -4.629 -2.961 1.00 0.63 N ATOM 554 CA ILE A 38 -11.267 -4.731 -1.516 1.00 0.68 C ATOM 555 C ILE A 38 -11.733 -3.469 -0.777 1.00 0.68 C ATOM 556 O ILE A 38 -11.597 -3.349 0.444 1.00 0.73 O ATOM 557 CB ILE A 38 -9.862 -5.193 -1.059 1.00 0.68 C ATOM 558 CG1 ILE A 38 -8.761 -4.281 -1.629 1.00 0.55 C ATOM 559 CG2 ILE A 38 -9.646 -6.635 -1.480 1.00 0.80 C ATOM 560 CD1 ILE A 38 -7.338 -4.665 -1.240 1.00 0.64 C ATOM 0 H ILE A 38 -10.585 -4.320 -3.462 1.00 0.63 H new ATOM 0 HA ILE A 38 -11.944 -5.534 -1.225 1.00 0.68 H new ATOM 0 HB ILE A 38 -9.804 -5.125 0.027 1.00 0.68 H new ATOM 0 HG12 ILE A 38 -8.837 -4.282 -2.716 1.00 0.55 H new ATOM 0 HG13 ILE A 38 -8.949 -3.260 -1.297 1.00 0.55 H new ATOM 0 HG21 ILE A 38 -8.657 -6.963 -1.160 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -10.405 -7.266 -1.019 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -9.720 -6.712 -2.565 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -6.636 -3.963 -1.690 1.00 0.64 H new ATOM 0 HD12 ILE A 38 -7.237 -4.634 -0.155 1.00 0.64 H new ATOM 0 HD13 ILE A 38 -7.123 -5.672 -1.596 1.00 0.64 H new ATOM 572 N GLY A 39 -12.360 -2.579 -1.525 1.00 0.69 N ATOM 573 CA GLY A 39 -12.983 -1.409 -0.962 1.00 0.77 C ATOM 574 C GLY A 39 -12.029 -0.397 -0.363 1.00 0.65 C ATOM 575 O GLY A 39 -12.307 0.164 0.699 1.00 0.74 O ATOM 0 H GLY A 39 -12.448 -2.653 -2.539 1.00 0.69 H new ATOM 0 HA2 GLY A 39 -13.567 -0.918 -1.740 1.00 0.77 H new ATOM 0 HA3 GLY A 39 -13.684 -1.726 -0.189 1.00 0.77 H new ATOM 579 N TYR A 40 -10.913 -0.163 -0.996 1.00 0.52 N ATOM 580 CA TYR A 40 -10.025 0.870 -0.520 1.00 0.47 C ATOM 581 C TYR A 40 -10.370 2.192 -1.150 1.00 0.49 C ATOM 582 O TYR A 40 -10.458 2.316 -2.380 1.00 0.61 O ATOM 583 CB TYR A 40 -8.544 0.531 -0.702 1.00 0.46 C ATOM 584 CG TYR A 40 -7.992 -0.400 0.362 1.00 0.50 C ATOM 585 CD1 TYR A 40 -8.532 -1.656 0.571 1.00 0.62 C ATOM 586 CD2 TYR A 40 -6.922 -0.010 1.158 1.00 0.61 C ATOM 587 CE1 TYR A 40 -8.028 -2.498 1.536 1.00 0.74 C ATOM 588 CE2 TYR A 40 -6.405 -0.851 2.125 1.00 0.78 C ATOM 589 CZ TYR A 40 -6.965 -2.100 2.305 1.00 0.81 C ATOM 590 OH TYR A 40 -6.457 -2.959 3.246 1.00 1.02 O ATOM 0 H TYR A 40 -10.597 -0.661 -1.828 1.00 0.52 H new ATOM 0 HA TYR A 40 -10.178 0.943 0.557 1.00 0.47 H new ATOM 0 HB2 TYR A 40 -8.404 0.072 -1.681 1.00 0.46 H new ATOM 0 HB3 TYR A 40 -7.966 1.455 -0.698 1.00 0.46 H new ATOM 0 HD1 TYR A 40 -9.365 -1.982 -0.034 1.00 0.62 H new ATOM 0 HD2 TYR A 40 -6.486 0.968 1.018 1.00 0.61 H new ATOM 0 HE1 TYR A 40 -8.470 -3.472 1.687 1.00 0.74 H new ATOM 0 HE2 TYR A 40 -5.571 -0.534 2.734 1.00 0.78 H new ATOM 0 HH TYR A 40 -5.841 -2.474 3.833 1.00 1.02 H new ATOM 600 N ASP A 41 -10.651 3.149 -0.315 1.00 0.48 N ATOM 601 CA ASP A 41 -10.945 4.489 -0.759 1.00 0.56 C ATOM 602 C ASP A 41 -9.686 5.296 -0.771 1.00 0.45 C ATOM 603 O ASP A 41 -8.633 4.804 -0.339 1.00 0.39 O ATOM 604 CB ASP A 41 -11.988 5.169 0.138 1.00 0.75 C ATOM 605 CG ASP A 41 -13.351 4.548 0.037 1.00 1.11 C ATOM 606 OD1 ASP A 41 -14.031 4.757 -0.988 1.00 1.20 O ATOM 607 OD2 ASP A 41 -13.780 3.871 0.988 1.00 2.01 O ATOM 0 H ASP A 41 -10.684 3.027 0.697 1.00 0.48 H new ATOM 0 HA ASP A 41 -11.361 4.428 -1.765 1.00 0.56 H new ATOM 0 HB2 ASP A 41 -11.651 5.124 1.174 1.00 0.75 H new ATOM 0 HB3 ASP A 41 -12.056 6.223 -0.130 1.00 0.75 H new ATOM 612 N SER A 42 -9.791 6.527 -1.228 1.00 0.57 N ATOM 613 CA SER A 42 -8.682 7.450 -1.284 1.00 0.62 C ATOM 614 C SER A 42 -8.048 7.614 0.101 1.00 0.53 C ATOM 615 O SER A 42 -6.839 7.474 0.247 1.00 0.54 O ATOM 616 CB SER A 42 -9.151 8.808 -1.844 1.00 0.83 C ATOM 617 OG SER A 42 -10.625 8.823 -2.035 1.00 1.24 O ATOM 0 H SER A 42 -10.666 6.919 -1.576 1.00 0.57 H new ATOM 0 HA SER A 42 -7.922 7.048 -1.953 1.00 0.62 H new ATOM 0 HB2 SER A 42 -8.861 9.607 -1.162 1.00 0.83 H new ATOM 0 HB3 SER A 42 -8.655 9.005 -2.795 1.00 0.83 H new ATOM 622 N LEU A 43 -8.888 7.848 1.106 1.00 0.53 N ATOM 623 CA LEU A 43 -8.452 8.002 2.491 1.00 0.54 C ATOM 624 C LEU A 43 -7.705 6.761 2.954 1.00 0.45 C ATOM 625 O LEU A 43 -6.579 6.851 3.434 1.00 0.47 O ATOM 626 CB LEU A 43 -9.660 8.236 3.412 1.00 0.68 C ATOM 627 CG LEU A 43 -10.491 9.494 3.153 1.00 0.83 C ATOM 628 CD1 LEU A 43 -11.683 9.536 4.096 1.00 1.00 C ATOM 629 CD2 LEU A 43 -9.636 10.740 3.334 1.00 0.90 C ATOM 0 H LEU A 43 -9.896 7.937 0.981 1.00 0.53 H new ATOM 0 HA LEU A 43 -7.787 8.864 2.541 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -10.319 7.371 3.334 1.00 0.68 H new ATOM 0 HB3 LEU A 43 -9.301 8.272 4.441 1.00 0.68 H new ATOM 0 HG LEU A 43 -10.854 9.467 2.126 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -12.268 10.435 3.903 1.00 1.00 H new ATOM 0 HD12 LEU A 43 -12.306 8.656 3.934 1.00 1.00 H new ATOM 0 HD13 LEU A 43 -11.331 9.546 5.127 1.00 1.00 H new ATOM 0 HD21 LEU A 43 -10.241 11.627 3.146 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -9.251 10.772 4.353 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -8.802 10.714 2.632 1.00 0.90 H new ATOM 641 N ALA A 44 -8.317 5.603 2.720 1.00 0.44 N ATOM 642 CA ALA A 44 -7.770 4.320 3.155 1.00 0.41 C ATOM 643 C ALA A 44 -6.423 4.034 2.504 1.00 0.35 C ATOM 644 O ALA A 44 -5.539 3.486 3.132 1.00 0.38 O ATOM 645 CB ALA A 44 -8.749 3.191 2.866 1.00 0.43 C ATOM 0 H ALA A 44 -9.205 5.527 2.224 1.00 0.44 H new ATOM 0 HA ALA A 44 -7.613 4.380 4.232 1.00 0.41 H new ATOM 0 HB1 ALA A 44 -8.322 2.245 3.198 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -9.683 3.374 3.398 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -8.945 3.145 1.795 1.00 0.43 H new ATOM 651 N LEU A 45 -6.272 4.446 1.254 1.00 0.34 N ATOM 652 CA LEU A 45 -5.039 4.225 0.513 1.00 0.33 C ATOM 653 C LEU A 45 -3.909 5.035 1.181 1.00 0.32 C ATOM 654 O LEU A 45 -2.801 4.534 1.375 1.00 0.36 O ATOM 655 CB LEU A 45 -5.222 4.680 -0.962 1.00 0.48 C ATOM 656 CG LEU A 45 -4.252 4.119 -2.052 1.00 0.50 C ATOM 657 CD1 LEU A 45 -2.795 4.193 -1.672 1.00 0.90 C ATOM 658 CD2 LEU A 45 -4.606 2.719 -2.463 1.00 0.37 C ATOM 0 H LEU A 45 -6.994 4.939 0.728 1.00 0.34 H new ATOM 0 HA LEU A 45 -4.785 3.165 0.520 1.00 0.33 H new ATOM 0 HB2 LEU A 45 -6.238 4.424 -1.262 1.00 0.48 H new ATOM 0 HB3 LEU A 45 -5.148 5.767 -0.983 1.00 0.48 H new ATOM 0 HG LEU A 45 -4.391 4.782 -2.906 1.00 0.50 H new ATOM 0 HD11 LEU A 45 -2.187 3.785 -2.480 1.00 0.90 H new ATOM 0 HD12 LEU A 45 -2.517 5.232 -1.498 1.00 0.90 H new ATOM 0 HD13 LEU A 45 -2.626 3.615 -0.763 1.00 0.90 H new ATOM 0 HD21 LEU A 45 -3.904 2.374 -3.222 1.00 0.37 H new ATOM 0 HD22 LEU A 45 -4.555 2.061 -1.595 1.00 0.37 H new ATOM 0 HD23 LEU A 45 -5.617 2.704 -2.871 1.00 0.37 H new ATOM 670 N MET A 46 -4.208 6.274 1.567 1.00 0.37 N ATOM 671 CA MET A 46 -3.187 7.159 2.174 1.00 0.46 C ATOM 672 C MET A 46 -2.813 6.599 3.494 1.00 0.48 C ATOM 673 O MET A 46 -1.655 6.567 3.879 1.00 0.54 O ATOM 674 CB MET A 46 -3.721 8.561 2.389 1.00 0.59 C ATOM 675 CG MET A 46 -4.500 9.052 1.237 1.00 0.54 C ATOM 676 SD MET A 46 -4.914 10.803 1.321 1.00 0.89 S ATOM 677 CE MET A 46 -5.743 11.016 -0.252 1.00 1.84 C ATOM 0 H MET A 46 -5.133 6.694 1.477 1.00 0.37 H new ATOM 0 HA MET A 46 -2.332 7.213 1.500 1.00 0.46 H new ATOM 0 HB2 MET A 46 -4.349 8.574 3.280 1.00 0.59 H new ATOM 0 HB3 MET A 46 -2.888 9.239 2.576 1.00 0.59 H new ATOM 0 HG2 MET A 46 -3.934 8.867 0.324 1.00 0.54 H new ATOM 0 HG3 MET A 46 -5.422 8.475 1.163 1.00 0.54 H new ATOM 0 HE1 MET A 46 -5.890 12.079 -0.445 1.00 1.84 H new ATOM 0 HE2 MET A 46 -5.134 10.584 -1.046 1.00 1.84 H new ATOM 0 HE3 MET A 46 -6.711 10.515 -0.224 1.00 1.84 H new ATOM 687 N GLU A 47 -3.815 6.119 4.153 1.00 0.49 N ATOM 688 CA GLU A 47 -3.716 5.477 5.410 1.00 0.55 C ATOM 689 C GLU A 47 -2.837 4.204 5.348 1.00 0.54 C ATOM 690 O GLU A 47 -2.304 3.762 6.359 1.00 0.71 O ATOM 691 CB GLU A 47 -5.123 5.231 5.895 1.00 0.58 C ATOM 692 CG GLU A 47 -5.744 6.443 6.576 1.00 0.82 C ATOM 693 CD GLU A 47 -7.127 6.186 7.142 1.00 1.48 C ATOM 694 OE1 GLU A 47 -7.233 5.527 8.197 1.00 1.84 O ATOM 695 OE2 GLU A 47 -8.120 6.695 6.589 1.00 2.31 O ATOM 0 H GLU A 47 -4.773 6.170 3.806 1.00 0.49 H new ATOM 0 HA GLU A 47 -3.199 6.109 6.132 1.00 0.55 H new ATOM 0 HB2 GLU A 47 -5.746 4.939 5.050 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -5.119 4.393 6.592 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -5.087 6.771 7.382 1.00 0.82 H new ATOM 0 HG3 GLU A 47 -5.802 7.261 5.858 1.00 0.82 H new ATOM 702 N THR A 48 -2.699 3.629 4.164 1.00 0.42 N ATOM 703 CA THR A 48 -1.769 2.553 3.936 1.00 0.42 C ATOM 704 C THR A 48 -0.377 3.155 3.598 1.00 0.39 C ATOM 705 O THR A 48 0.601 2.959 4.332 1.00 0.41 O ATOM 706 CB THR A 48 -2.240 1.708 2.717 1.00 0.41 C ATOM 707 OG1 THR A 48 -3.584 1.259 2.911 1.00 0.44 O ATOM 708 CG2 THR A 48 -1.325 0.506 2.502 1.00 0.45 C ATOM 0 H THR A 48 -3.233 3.901 3.338 1.00 0.42 H new ATOM 0 HA THR A 48 -1.714 1.928 4.827 1.00 0.42 H new ATOM 0 HB THR A 48 -2.197 2.343 1.832 1.00 0.41 H new ATOM 0 HG1 THR A 48 -3.639 0.739 3.740 1.00 0.44 H new ATOM 0 HG21 THR A 48 -1.675 -0.069 1.645 1.00 0.45 H new ATOM 0 HG22 THR A 48 -0.308 0.851 2.317 1.00 0.45 H new ATOM 0 HG23 THR A 48 -1.338 -0.125 3.391 1.00 0.45 H new ATOM 716 N ALA A 49 -0.335 3.941 2.520 1.00 0.39 N ATOM 717 CA ALA A 49 0.904 4.492 1.960 1.00 0.40 C ATOM 718 C ALA A 49 1.674 5.392 2.930 1.00 0.42 C ATOM 719 O ALA A 49 2.840 5.149 3.195 1.00 0.41 O ATOM 720 CB ALA A 49 0.617 5.229 0.663 1.00 0.43 C ATOM 0 H ALA A 49 -1.170 4.217 2.004 1.00 0.39 H new ATOM 0 HA ALA A 49 1.553 3.639 1.762 1.00 0.40 H new ATOM 0 HB1 ALA A 49 1.546 5.632 0.260 1.00 0.43 H new ATOM 0 HB2 ALA A 49 0.178 4.539 -0.058 1.00 0.43 H new ATOM 0 HB3 ALA A 49 -0.079 6.045 0.855 1.00 0.43 H new ATOM 726 N ALA A 50 1.005 6.380 3.503 1.00 0.46 N ATOM 727 CA ALA A 50 1.651 7.373 4.379 1.00 0.51 C ATOM 728 C ALA A 50 2.093 6.746 5.685 1.00 0.49 C ATOM 729 O ALA A 50 3.010 7.234 6.362 1.00 0.49 O ATOM 730 CB ALA A 50 0.713 8.540 4.645 1.00 0.62 C ATOM 0 H ALA A 50 0.003 6.525 3.381 1.00 0.46 H new ATOM 0 HA ALA A 50 2.537 7.745 3.865 1.00 0.51 H new ATOM 0 HB1 ALA A 50 1.207 9.263 5.294 1.00 0.62 H new ATOM 0 HB2 ALA A 50 0.451 9.018 3.701 1.00 0.62 H new ATOM 0 HB3 ALA A 50 -0.192 8.176 5.131 1.00 0.62 H new ATOM 736 N ARG A 51 1.465 5.650 6.014 1.00 0.51 N ATOM 737 CA ARG A 51 1.753 4.905 7.216 1.00 0.54 C ATOM 738 C ARG A 51 3.081 4.152 6.990 1.00 0.50 C ATOM 739 O ARG A 51 3.850 3.891 7.919 1.00 0.61 O ATOM 740 CB ARG A 51 0.582 3.947 7.432 1.00 0.62 C ATOM 741 CG ARG A 51 0.244 3.553 8.862 1.00 0.87 C ATOM 742 CD ARG A 51 1.236 2.618 9.512 1.00 1.36 C ATOM 743 NE ARG A 51 0.693 2.148 10.781 1.00 2.18 N ATOM 744 CZ ARG A 51 0.498 0.873 11.104 1.00 3.05 C ATOM 745 NH1 ARG A 51 1.000 -0.093 10.343 1.00 3.48 N ATOM 746 NH2 ARG A 51 -0.178 0.565 12.208 1.00 3.91 N ATOM 0 H ARG A 51 0.724 5.240 5.445 1.00 0.51 H new ATOM 0 HA ARG A 51 1.864 5.535 8.098 1.00 0.54 H new ATOM 0 HB2 ARG A 51 -0.306 4.398 6.990 1.00 0.62 H new ATOM 0 HB3 ARG A 51 0.788 3.034 6.873 1.00 0.62 H new ATOM 0 HG2 ARG A 51 0.169 4.458 9.465 1.00 0.87 H new ATOM 0 HG3 ARG A 51 -0.739 3.082 8.872 1.00 0.87 H new ATOM 0 HD2 ARG A 51 1.441 1.773 8.855 1.00 1.36 H new ATOM 0 HD3 ARG A 51 2.184 3.131 9.676 1.00 1.36 H new ATOM 0 HE ARG A 51 0.443 2.852 11.475 1.00 2.18 H new ATOM 0 HH11 ARG A 51 1.537 0.142 9.508 1.00 3.48 H new ATOM 0 HH12 ARG A 51 0.849 -1.070 10.593 1.00 3.48 H new ATOM 0 HH21 ARG A 51 -0.545 1.306 12.805 1.00 3.91 H new ATOM 0 HH22 ARG A 51 -0.329 -0.412 12.458 1.00 3.91 H new ATOM 760 N LEU A 52 3.343 3.840 5.731 1.00 0.41 N ATOM 761 CA LEU A 52 4.574 3.194 5.332 1.00 0.39 C ATOM 762 C LEU A 52 5.658 4.250 5.161 1.00 0.36 C ATOM 763 O LEU A 52 6.798 4.060 5.603 1.00 0.38 O ATOM 764 CB LEU A 52 4.381 2.434 4.014 1.00 0.36 C ATOM 765 CG LEU A 52 3.320 1.335 4.014 1.00 0.39 C ATOM 766 CD1 LEU A 52 3.161 0.754 2.628 1.00 0.41 C ATOM 767 CD2 LEU A 52 3.680 0.246 5.000 1.00 0.48 C ATOM 0 H LEU A 52 2.704 4.030 4.959 1.00 0.41 H new ATOM 0 HA LEU A 52 4.868 2.481 6.102 1.00 0.39 H new ATOM 0 HB2 LEU A 52 4.126 3.155 3.238 1.00 0.36 H new ATOM 0 HB3 LEU A 52 5.335 1.988 3.734 1.00 0.36 H new ATOM 0 HG LEU A 52 2.371 1.777 4.318 1.00 0.39 H new ATOM 0 HD11 LEU A 52 2.401 -0.027 2.646 1.00 0.41 H new ATOM 0 HD12 LEU A 52 2.857 1.540 1.937 1.00 0.41 H new ATOM 0 HD13 LEU A 52 4.110 0.330 2.300 1.00 0.41 H new ATOM 0 HD21 LEU A 52 2.912 -0.527 4.985 1.00 0.48 H new ATOM 0 HD22 LEU A 52 4.640 -0.191 4.725 1.00 0.48 H new ATOM 0 HD23 LEU A 52 3.748 0.670 6.002 1.00 0.48 H new ATOM 779 N GLU A 53 5.276 5.374 4.529 1.00 0.35 N ATOM 780 CA GLU A 53 6.171 6.507 4.265 1.00 0.37 C ATOM 781 C GLU A 53 6.886 6.960 5.513 1.00 0.41 C ATOM 782 O GLU A 53 8.110 7.128 5.509 1.00 0.45 O ATOM 783 CB GLU A 53 5.414 7.710 3.691 1.00 0.40 C ATOM 784 CG GLU A 53 4.788 7.505 2.327 1.00 0.44 C ATOM 785 CD GLU A 53 4.149 8.776 1.827 1.00 0.56 C ATOM 786 OE1 GLU A 53 4.864 9.622 1.282 1.00 0.65 O ATOM 787 OE2 GLU A 53 2.931 8.967 2.000 1.00 0.91 O ATOM 0 H GLU A 53 4.327 5.519 4.185 1.00 0.35 H new ATOM 0 HA GLU A 53 6.896 6.146 3.536 1.00 0.37 H new ATOM 0 HB2 GLU A 53 4.628 7.989 4.393 1.00 0.40 H new ATOM 0 HB3 GLU A 53 6.102 8.553 3.631 1.00 0.40 H new ATOM 0 HG2 GLU A 53 5.549 7.174 1.620 1.00 0.44 H new ATOM 0 HG3 GLU A 53 4.039 6.715 2.382 1.00 0.44 H new ATOM 794 N SER A 54 6.132 7.130 6.567 1.00 0.45 N ATOM 795 CA SER A 54 6.652 7.603 7.816 1.00 0.54 C ATOM 796 C SER A 54 7.589 6.583 8.481 1.00 0.52 C ATOM 797 O SER A 54 8.756 6.900 8.771 1.00 0.62 O ATOM 798 CB SER A 54 5.483 7.992 8.723 1.00 0.69 C ATOM 799 OG SER A 54 4.484 6.976 8.706 1.00 1.38 O ATOM 0 H SER A 54 5.130 6.941 6.579 1.00 0.45 H new ATOM 0 HA SER A 54 7.268 8.484 7.632 1.00 0.54 H new ATOM 0 HB2 SER A 54 5.839 8.144 9.742 1.00 0.69 H new ATOM 0 HB3 SER A 54 5.055 8.938 8.391 1.00 0.69 H new ATOM 0 HG SER A 54 3.865 7.138 7.964 1.00 1.38 H new ATOM 805 N ARG A 55 7.091 5.363 8.678 1.00 0.53 N ATOM 806 CA ARG A 55 7.848 4.307 9.350 1.00 0.62 C ATOM 807 C ARG A 55 9.118 3.905 8.585 1.00 0.57 C ATOM 808 O ARG A 55 10.212 3.881 9.150 1.00 0.68 O ATOM 809 CB ARG A 55 6.967 3.059 9.593 1.00 0.78 C ATOM 810 CG ARG A 55 7.726 1.898 10.234 1.00 0.95 C ATOM 811 CD ARG A 55 6.869 0.655 10.411 1.00 1.19 C ATOM 812 NE ARG A 55 7.672 -0.474 10.903 1.00 1.42 N ATOM 813 CZ ARG A 55 7.404 -1.779 10.679 1.00 1.79 C ATOM 814 NH1 ARG A 55 6.203 -2.158 10.239 1.00 1.97 N ATOM 815 NH2 ARG A 55 8.304 -2.699 10.992 1.00 2.41 N ATOM 0 H ARG A 55 6.158 5.080 8.379 1.00 0.53 H new ATOM 0 HA ARG A 55 8.160 4.722 10.308 1.00 0.62 H new ATOM 0 HB2 ARG A 55 6.129 3.334 10.234 1.00 0.78 H new ATOM 0 HB3 ARG A 55 6.547 2.729 8.643 1.00 0.78 H new ATOM 0 HG2 ARG A 55 8.591 1.652 9.618 1.00 0.95 H new ATOM 0 HG3 ARG A 55 8.106 2.212 11.206 1.00 0.95 H new ATOM 0 HD2 ARG A 55 6.061 0.863 11.112 1.00 1.19 H new ATOM 0 HD3 ARG A 55 6.406 0.390 9.460 1.00 1.19 H new ATOM 0 HE ARG A 55 8.499 -0.254 11.459 1.00 1.42 H new ATOM 0 HH11 ARG A 55 5.479 -1.460 10.069 1.00 1.97 H new ATOM 0 HH12 ARG A 55 6.009 -3.145 10.072 1.00 1.97 H new ATOM 0 HH21 ARG A 55 9.196 -2.421 11.401 1.00 2.41 H new ATOM 0 HH22 ARG A 55 8.105 -3.685 10.824 1.00 2.41 H new ATOM 829 N TYR A 56 8.981 3.621 7.311 1.00 0.49 N ATOM 830 CA TYR A 56 10.100 3.098 6.532 1.00 0.54 C ATOM 831 C TYR A 56 11.023 4.192 6.020 1.00 0.53 C ATOM 832 O TYR A 56 12.226 3.976 5.894 1.00 0.71 O ATOM 833 CB TYR A 56 9.613 2.187 5.402 1.00 0.57 C ATOM 834 CG TYR A 56 8.880 0.952 5.902 1.00 0.68 C ATOM 835 CD1 TYR A 56 9.577 -0.194 6.259 1.00 0.94 C ATOM 836 CD2 TYR A 56 7.496 0.935 6.025 1.00 0.66 C ATOM 837 CE1 TYR A 56 8.921 -1.321 6.706 1.00 1.09 C ATOM 838 CE2 TYR A 56 6.832 -0.192 6.477 1.00 0.82 C ATOM 839 CZ TYR A 56 7.526 -1.303 6.813 1.00 1.02 C ATOM 840 OH TYR A 56 6.901 -2.438 7.275 1.00 1.20 O ATOM 0 H TYR A 56 8.114 3.739 6.786 1.00 0.49 H new ATOM 0 HA TYR A 56 10.699 2.492 7.212 1.00 0.54 H new ATOM 0 HB2 TYR A 56 8.952 2.754 4.747 1.00 0.57 H new ATOM 0 HB3 TYR A 56 10.467 1.876 4.801 1.00 0.57 H new ATOM 0 HD1 TYR A 56 10.654 -0.203 6.185 1.00 0.94 H new ATOM 0 HD2 TYR A 56 6.929 1.816 5.763 1.00 0.66 H new ATOM 0 HE1 TYR A 56 9.478 -2.208 6.971 1.00 1.09 H new ATOM 0 HE2 TYR A 56 5.755 -0.184 6.562 1.00 0.82 H new ATOM 0 HH TYR A 56 5.933 -2.290 7.302 1.00 1.20 H new ATOM 850 N GLY A 57 10.479 5.362 5.760 1.00 0.44 N ATOM 851 CA GLY A 57 11.307 6.464 5.317 1.00 0.45 C ATOM 852 C GLY A 57 11.235 6.706 3.836 1.00 0.45 C ATOM 853 O GLY A 57 12.249 6.680 3.153 1.00 0.60 O ATOM 0 H GLY A 57 9.485 5.573 5.845 1.00 0.44 H new ATOM 0 HA2 GLY A 57 11.004 7.370 5.841 1.00 0.45 H new ATOM 0 HA3 GLY A 57 12.342 6.266 5.596 1.00 0.45 H new ATOM 857 N VAL A 58 10.036 6.937 3.327 1.00 0.37 N ATOM 858 CA VAL A 58 9.855 7.228 1.903 1.00 0.39 C ATOM 859 C VAL A 58 8.901 8.406 1.706 1.00 0.40 C ATOM 860 O VAL A 58 8.342 8.934 2.688 1.00 0.42 O ATOM 861 CB VAL A 58 9.359 5.997 1.051 1.00 0.41 C ATOM 862 CG1 VAL A 58 10.328 4.834 1.131 1.00 0.49 C ATOM 863 CG2 VAL A 58 7.965 5.543 1.460 1.00 0.38 C ATOM 0 H VAL A 58 9.173 6.930 3.871 1.00 0.37 H new ATOM 0 HA VAL A 58 10.848 7.482 1.534 1.00 0.39 H new ATOM 0 HB VAL A 58 9.314 6.339 0.017 1.00 0.41 H new ATOM 0 HG11 VAL A 58 9.952 4.005 0.531 1.00 0.49 H new ATOM 0 HG12 VAL A 58 11.301 5.145 0.751 1.00 0.49 H new ATOM 0 HG13 VAL A 58 10.429 4.515 2.168 1.00 0.49 H new ATOM 0 HG21 VAL A 58 7.665 4.693 0.847 1.00 0.38 H new ATOM 0 HG22 VAL A 58 7.971 5.249 2.510 1.00 0.38 H new ATOM 0 HG23 VAL A 58 7.259 6.361 1.317 1.00 0.38 H new ATOM 873 N SER A 59 8.735 8.822 0.470 1.00 0.46 N ATOM 874 CA SER A 59 7.791 9.858 0.096 1.00 0.56 C ATOM 875 C SER A 59 7.114 9.503 -1.231 1.00 0.54 C ATOM 876 O SER A 59 7.787 9.271 -2.249 1.00 0.61 O ATOM 877 CB SER A 59 8.491 11.218 -0.004 1.00 0.79 C ATOM 878 OG SER A 59 9.044 11.602 1.255 1.00 1.33 O ATOM 0 H SER A 59 9.260 8.445 -0.319 1.00 0.46 H new ATOM 0 HA SER A 59 7.027 9.925 0.870 1.00 0.56 H new ATOM 0 HB2 SER A 59 9.281 11.170 -0.753 1.00 0.79 H new ATOM 0 HB3 SER A 59 7.780 11.973 -0.339 1.00 0.79 H new ATOM 0 HG SER A 59 9.487 12.472 1.166 1.00 1.33 H new ATOM 884 N ILE A 60 5.802 9.424 -1.199 1.00 0.48 N ATOM 885 CA ILE A 60 4.987 9.097 -2.352 1.00 0.46 C ATOM 886 C ILE A 60 3.831 10.086 -2.449 1.00 0.50 C ATOM 887 O ILE A 60 3.178 10.381 -1.451 1.00 0.58 O ATOM 888 CB ILE A 60 4.404 7.650 -2.238 1.00 0.44 C ATOM 889 CG1 ILE A 60 5.525 6.610 -2.279 1.00 0.47 C ATOM 890 CG2 ILE A 60 3.367 7.361 -3.334 1.00 0.43 C ATOM 891 CD1 ILE A 60 5.048 5.208 -2.044 1.00 1.13 C ATOM 0 H ILE A 60 5.258 9.589 -0.352 1.00 0.48 H new ATOM 0 HA ILE A 60 5.615 9.153 -3.241 1.00 0.46 H new ATOM 0 HB ILE A 60 3.895 7.583 -1.277 1.00 0.44 H new ATOM 0 HG12 ILE A 60 6.020 6.659 -3.249 1.00 0.47 H new ATOM 0 HG13 ILE A 60 6.272 6.862 -1.526 1.00 0.47 H new ATOM 0 HG21 ILE A 60 2.988 6.346 -3.218 1.00 0.43 H new ATOM 0 HG22 ILE A 60 2.542 8.068 -3.250 1.00 0.43 H new ATOM 0 HG23 ILE A 60 3.834 7.464 -4.313 1.00 0.43 H new ATOM 0 HD11 ILE A 60 5.895 4.523 -2.087 1.00 1.13 H new ATOM 0 HD12 ILE A 60 4.578 5.143 -1.062 1.00 1.13 H new ATOM 0 HD13 ILE A 60 4.323 4.937 -2.812 1.00 1.13 H new ATOM 903 N PRO A 61 3.597 10.659 -3.633 1.00 0.52 N ATOM 904 CA PRO A 61 2.450 11.522 -3.862 1.00 0.58 C ATOM 905 C PRO A 61 1.159 10.729 -3.712 1.00 0.52 C ATOM 906 O PRO A 61 0.977 9.700 -4.376 1.00 0.45 O ATOM 907 CB PRO A 61 2.609 11.968 -5.322 1.00 0.63 C ATOM 908 CG PRO A 61 4.033 11.706 -5.655 1.00 0.65 C ATOM 909 CD PRO A 61 4.437 10.527 -4.835 1.00 0.56 C ATOM 0 HA PRO A 61 2.405 12.354 -3.160 1.00 0.58 H new ATOM 0 HB2 PRO A 61 1.942 11.410 -5.979 1.00 0.63 H new ATOM 0 HB3 PRO A 61 2.364 13.024 -5.440 1.00 0.63 H new ATOM 0 HG2 PRO A 61 4.154 11.501 -6.719 1.00 0.65 H new ATOM 0 HG3 PRO A 61 4.653 12.572 -5.425 1.00 0.65 H new ATOM 0 HD2 PRO A 61 4.250 9.589 -5.357 1.00 0.56 H new ATOM 0 HD3 PRO A 61 5.499 10.550 -4.590 1.00 0.56 H new ATOM 917 N ASP A 62 0.265 11.203 -2.863 1.00 0.64 N ATOM 918 CA ASP A 62 -1.024 10.525 -2.613 1.00 0.72 C ATOM 919 C ASP A 62 -1.864 10.402 -3.868 1.00 0.61 C ATOM 920 O ASP A 62 -2.648 9.460 -4.011 1.00 0.65 O ATOM 921 CB ASP A 62 -1.825 11.150 -1.455 1.00 1.00 C ATOM 922 CG ASP A 62 -1.859 12.658 -1.461 1.00 1.28 C ATOM 923 OD1 ASP A 62 -2.202 13.271 -2.487 1.00 1.97 O ATOM 924 OD2 ASP A 62 -1.481 13.262 -0.430 1.00 1.40 O ATOM 0 H ASP A 62 0.396 12.060 -2.325 1.00 0.64 H new ATOM 0 HA ASP A 62 -0.763 9.515 -2.296 1.00 0.72 H new ATOM 0 HB2 ASP A 62 -2.848 10.776 -1.494 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -1.398 10.812 -0.511 1.00 1.00 H new ATOM 929 N ASP A 63 -1.673 11.337 -4.777 1.00 0.57 N ATOM 930 CA ASP A 63 -2.293 11.295 -6.103 1.00 0.62 C ATOM 931 C ASP A 63 -1.932 9.979 -6.804 1.00 0.52 C ATOM 932 O ASP A 63 -2.797 9.266 -7.307 1.00 0.65 O ATOM 933 CB ASP A 63 -1.782 12.468 -6.943 1.00 0.78 C ATOM 934 CG ASP A 63 -2.368 12.517 -8.342 1.00 1.29 C ATOM 935 OD1 ASP A 63 -1.847 11.823 -9.233 1.00 1.87 O ATOM 936 OD2 ASP A 63 -3.390 13.203 -8.556 1.00 1.94 O ATOM 0 H ASP A 63 -1.082 12.154 -4.624 1.00 0.57 H new ATOM 0 HA ASP A 63 -3.375 11.363 -5.994 1.00 0.62 H new ATOM 0 HB2 ASP A 63 -2.014 13.400 -6.428 1.00 0.78 H new ATOM 0 HB3 ASP A 63 -0.696 12.406 -7.015 1.00 0.78 H new ATOM 941 N VAL A 64 -0.652 9.637 -6.740 1.00 0.42 N ATOM 942 CA VAL A 64 -0.106 8.451 -7.393 1.00 0.39 C ATOM 943 C VAL A 64 -0.405 7.188 -6.561 1.00 0.33 C ATOM 944 O VAL A 64 -0.375 6.064 -7.060 1.00 0.37 O ATOM 945 CB VAL A 64 1.432 8.592 -7.658 1.00 0.46 C ATOM 946 CG1 VAL A 64 1.984 7.412 -8.445 1.00 0.55 C ATOM 947 CG2 VAL A 64 1.730 9.896 -8.383 1.00 0.56 C ATOM 0 H VAL A 64 0.044 10.179 -6.229 1.00 0.42 H new ATOM 0 HA VAL A 64 -0.596 8.352 -8.362 1.00 0.39 H new ATOM 0 HB VAL A 64 1.929 8.602 -6.688 1.00 0.46 H new ATOM 0 HG11 VAL A 64 3.053 7.550 -8.606 1.00 0.55 H new ATOM 0 HG12 VAL A 64 1.818 6.492 -7.885 1.00 0.55 H new ATOM 0 HG13 VAL A 64 1.477 7.348 -9.408 1.00 0.55 H new ATOM 0 HG21 VAL A 64 2.803 9.978 -8.559 1.00 0.56 H new ATOM 0 HG22 VAL A 64 1.204 9.910 -9.337 1.00 0.56 H new ATOM 0 HG23 VAL A 64 1.398 10.736 -7.773 1.00 0.56 H new ATOM 957 N ALA A 65 -0.738 7.383 -5.306 1.00 0.35 N ATOM 958 CA ALA A 65 -1.085 6.299 -4.451 1.00 0.38 C ATOM 959 C ALA A 65 -2.430 5.745 -4.907 1.00 0.43 C ATOM 960 O ALA A 65 -2.628 4.542 -4.983 1.00 0.47 O ATOM 961 CB ALA A 65 -1.118 6.771 -3.007 1.00 0.44 C ATOM 0 H ALA A 65 -0.772 8.300 -4.861 1.00 0.35 H new ATOM 0 HA ALA A 65 -0.343 5.503 -4.508 1.00 0.38 H new ATOM 0 HB1 ALA A 65 -1.384 5.937 -2.358 1.00 0.44 H new ATOM 0 HB2 ALA A 65 -0.136 7.151 -2.726 1.00 0.44 H new ATOM 0 HB3 ALA A 65 -1.858 7.564 -2.900 1.00 0.44 H new ATOM 967 N GLY A 66 -3.315 6.647 -5.305 1.00 0.49 N ATOM 968 CA GLY A 66 -4.607 6.250 -5.837 1.00 0.59 C ATOM 969 C GLY A 66 -4.542 6.033 -7.347 1.00 0.53 C ATOM 970 O GLY A 66 -5.526 6.217 -8.061 1.00 0.69 O ATOM 0 H GLY A 66 -3.162 7.655 -5.269 1.00 0.49 H new ATOM 0 HA2 GLY A 66 -4.937 5.333 -5.349 1.00 0.59 H new ATOM 0 HA3 GLY A 66 -5.348 7.017 -5.609 1.00 0.59 H new ATOM 974 N ARG A 67 -3.365 5.695 -7.823 1.00 0.45 N ATOM 975 CA ARG A 67 -3.113 5.425 -9.222 1.00 0.45 C ATOM 976 C ARG A 67 -2.792 3.938 -9.415 1.00 0.39 C ATOM 977 O ARG A 67 -2.789 3.429 -10.540 1.00 0.51 O ATOM 978 CB ARG A 67 -1.931 6.310 -9.681 1.00 0.56 C ATOM 979 CG ARG A 67 -1.371 6.049 -11.071 1.00 1.08 C ATOM 980 CD ARG A 67 -2.382 6.316 -12.164 1.00 1.48 C ATOM 981 NE ARG A 67 -2.803 7.720 -12.230 1.00 2.15 N ATOM 982 CZ ARG A 67 -3.583 8.235 -13.187 1.00 2.93 C ATOM 983 NH1 ARG A 67 -3.994 7.464 -14.190 1.00 3.24 N ATOM 984 NH2 ARG A 67 -3.933 9.519 -13.147 1.00 3.83 N ATOM 0 H ARG A 67 -2.537 5.598 -7.235 1.00 0.45 H new ATOM 0 HA ARG A 67 -3.993 5.657 -9.821 1.00 0.45 H new ATOM 0 HB2 ARG A 67 -2.250 7.351 -9.634 1.00 0.56 H new ATOM 0 HB3 ARG A 67 -1.120 6.192 -8.962 1.00 0.56 H new ATOM 0 HG2 ARG A 67 -0.495 6.678 -11.230 1.00 1.08 H new ATOM 0 HG3 ARG A 67 -1.036 5.014 -11.136 1.00 1.08 H new ATOM 0 HD2 ARG A 67 -1.955 6.026 -13.124 1.00 1.48 H new ATOM 0 HD3 ARG A 67 -3.258 5.688 -12.002 1.00 1.48 H new ATOM 0 HE ARG A 67 -2.478 8.347 -11.494 1.00 2.15 H new ATOM 0 HH11 ARG A 67 -3.714 6.484 -14.227 1.00 3.24 H new ATOM 0 HH12 ARG A 67 -4.589 7.853 -14.922 1.00 3.24 H new ATOM 0 HH21 ARG A 67 -3.606 10.113 -12.385 1.00 3.83 H new ATOM 0 HH22 ARG A 67 -4.528 9.908 -13.878 1.00 3.83 H new ATOM 998 N VAL A 68 -2.562 3.236 -8.317 1.00 0.35 N ATOM 999 CA VAL A 68 -2.146 1.853 -8.400 1.00 0.34 C ATOM 1000 C VAL A 68 -3.315 0.888 -8.631 1.00 0.39 C ATOM 1001 O VAL A 68 -4.478 1.259 -8.492 1.00 0.62 O ATOM 1002 CB VAL A 68 -1.266 1.402 -7.200 1.00 0.32 C ATOM 1003 CG1 VAL A 68 -0.020 2.268 -7.111 1.00 0.33 C ATOM 1004 CG2 VAL A 68 -2.034 1.443 -5.886 1.00 0.36 C ATOM 0 H VAL A 68 -2.656 3.600 -7.369 1.00 0.35 H new ATOM 0 HA VAL A 68 -1.514 1.805 -9.286 1.00 0.34 H new ATOM 0 HB VAL A 68 -0.973 0.367 -7.375 1.00 0.32 H new ATOM 0 HG11 VAL A 68 0.589 1.944 -6.267 1.00 0.33 H new ATOM 0 HG12 VAL A 68 0.556 2.173 -8.032 1.00 0.33 H new ATOM 0 HG13 VAL A 68 -0.310 3.309 -6.970 1.00 0.33 H new ATOM 0 HG21 VAL A 68 -1.383 1.120 -5.074 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -2.375 2.461 -5.695 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.895 0.777 -5.947 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.988 -0.349 -8.952 1.00 0.40 N ATOM 1015 CA ASP A 69 -3.989 -1.367 -9.281 1.00 0.49 C ATOM 1016 C ASP A 69 -4.007 -2.411 -8.196 1.00 0.40 C ATOM 1017 O ASP A 69 -5.008 -2.620 -7.490 1.00 0.39 O ATOM 1018 CB ASP A 69 -3.603 -2.050 -10.613 1.00 0.68 C ATOM 1019 CG ASP A 69 -4.682 -2.941 -11.186 1.00 0.85 C ATOM 1020 OD1 ASP A 69 -5.626 -2.413 -11.834 1.00 1.17 O ATOM 1021 OD2 ASP A 69 -4.584 -4.158 -11.056 1.00 0.86 O ATOM 0 H ASP A 69 -2.026 -0.684 -8.994 1.00 0.40 H new ATOM 0 HA ASP A 69 -4.969 -0.898 -9.370 1.00 0.49 H new ATOM 0 HB2 ASP A 69 -3.355 -1.281 -11.345 1.00 0.68 H new ATOM 0 HB3 ASP A 69 -2.702 -2.643 -10.457 1.00 0.68 H new ATOM 1026 N THR A 70 -2.874 -3.033 -8.040 1.00 0.38 N ATOM 1027 CA THR A 70 -2.687 -4.094 -7.116 1.00 0.35 C ATOM 1028 C THR A 70 -1.665 -3.661 -6.069 1.00 0.33 C ATOM 1029 O THR A 70 -0.971 -2.641 -6.262 1.00 0.33 O ATOM 1030 CB THR A 70 -2.157 -5.325 -7.880 1.00 0.42 C ATOM 1031 OG1 THR A 70 -0.958 -4.961 -8.590 1.00 0.48 O ATOM 1032 CG2 THR A 70 -3.183 -5.813 -8.871 1.00 0.47 C ATOM 0 H THR A 70 -2.035 -2.803 -8.572 1.00 0.38 H new ATOM 0 HA THR A 70 -3.628 -4.343 -6.625 1.00 0.35 H new ATOM 0 HB THR A 70 -1.948 -6.120 -7.164 1.00 0.42 H new ATOM 0 HG1 THR A 70 -1.150 -4.905 -9.549 1.00 0.48 H new ATOM 0 HG21 THR A 70 -2.792 -6.682 -9.401 1.00 0.47 H new ATOM 0 HG22 THR A 70 -4.096 -6.090 -8.343 1.00 0.47 H new ATOM 0 HG23 THR A 70 -3.404 -5.021 -9.586 1.00 0.47 H new ATOM 1040 N PRO A 71 -1.547 -4.396 -4.948 1.00 0.34 N ATOM 1041 CA PRO A 71 -0.552 -4.103 -3.916 1.00 0.33 C ATOM 1042 C PRO A 71 0.890 -4.130 -4.470 1.00 0.29 C ATOM 1043 O PRO A 71 1.776 -3.466 -3.940 1.00 0.28 O ATOM 1044 CB PRO A 71 -0.751 -5.228 -2.893 1.00 0.38 C ATOM 1045 CG PRO A 71 -2.150 -5.679 -3.096 1.00 0.42 C ATOM 1046 CD PRO A 71 -2.410 -5.532 -4.564 1.00 0.39 C ATOM 0 HA PRO A 71 -0.682 -3.104 -3.499 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -0.045 -6.042 -3.057 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -0.594 -4.870 -1.875 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -2.279 -6.713 -2.776 1.00 0.42 H new ATOM 0 HG3 PRO A 71 -2.845 -5.076 -2.512 1.00 0.42 H new ATOM 0 HD2 PRO A 71 -2.150 -6.438 -5.112 1.00 0.39 H new ATOM 0 HD3 PRO A 71 -3.461 -5.326 -4.768 1.00 0.39 H new ATOM 1054 N ARG A 72 1.097 -4.847 -5.577 1.00 0.31 N ATOM 1055 CA ARG A 72 2.419 -4.974 -6.172 1.00 0.31 C ATOM 1056 C ARG A 72 2.839 -3.631 -6.800 1.00 0.29 C ATOM 1057 O ARG A 72 4.024 -3.311 -6.880 1.00 0.31 O ATOM 1058 CB ARG A 72 2.442 -6.132 -7.208 1.00 0.36 C ATOM 1059 CG ARG A 72 2.267 -5.734 -8.668 1.00 0.48 C ATOM 1060 CD ARG A 72 1.981 -6.937 -9.545 1.00 0.58 C ATOM 1061 NE ARG A 72 0.545 -7.270 -9.532 1.00 1.01 N ATOM 1062 CZ ARG A 72 0.007 -8.503 -9.567 1.00 1.40 C ATOM 1063 NH1 ARG A 72 0.744 -9.586 -9.288 1.00 1.35 N ATOM 1064 NH2 ARG A 72 -1.288 -8.635 -9.836 1.00 2.47 N ATOM 0 H ARG A 72 0.361 -5.347 -6.076 1.00 0.31 H new ATOM 0 HA ARG A 72 3.143 -5.223 -5.396 1.00 0.31 H new ATOM 0 HB2 ARG A 72 3.390 -6.661 -7.109 1.00 0.36 H new ATOM 0 HB3 ARG A 72 1.654 -6.839 -6.949 1.00 0.36 H new ATOM 0 HG2 ARG A 72 1.450 -5.018 -8.755 1.00 0.48 H new ATOM 0 HG3 ARG A 72 3.169 -5.233 -9.020 1.00 0.48 H new ATOM 0 HD2 ARG A 72 2.301 -6.731 -10.566 1.00 0.58 H new ATOM 0 HD3 ARG A 72 2.560 -7.792 -9.196 1.00 0.58 H new ATOM 0 HE ARG A 72 -0.107 -6.486 -9.492 1.00 1.01 H new ATOM 0 HH11 ARG A 72 1.729 -9.484 -9.044 1.00 1.35 H new ATOM 0 HH12 ARG A 72 0.320 -10.513 -9.319 1.00 1.35 H new ATOM 0 HH21 ARG A 72 -1.859 -7.808 -10.012 1.00 2.47 H new ATOM 0 HH22 ARG A 72 -1.711 -9.563 -9.866 1.00 2.47 H new ATOM 1078 N GLU A 73 1.838 -2.847 -7.215 1.00 0.28 N ATOM 1079 CA GLU A 73 2.062 -1.522 -7.791 1.00 0.28 C ATOM 1080 C GLU A 73 2.430 -0.553 -6.673 1.00 0.25 C ATOM 1081 O GLU A 73 3.312 0.293 -6.819 1.00 0.25 O ATOM 1082 CB GLU A 73 0.783 -1.019 -8.460 1.00 0.33 C ATOM 1083 CG GLU A 73 0.197 -1.927 -9.516 1.00 0.45 C ATOM 1084 CD GLU A 73 1.107 -2.118 -10.686 1.00 1.15 C ATOM 1085 OE1 GLU A 73 1.183 -1.210 -11.538 1.00 1.24 O ATOM 1086 OE2 GLU A 73 1.724 -3.185 -10.798 1.00 2.06 O ATOM 0 H GLU A 73 0.855 -3.114 -7.160 1.00 0.28 H new ATOM 0 HA GLU A 73 2.862 -1.584 -8.528 1.00 0.28 H new ATOM 0 HB2 GLU A 73 0.031 -0.856 -7.688 1.00 0.33 H new ATOM 0 HB3 GLU A 73 0.989 -0.050 -8.914 1.00 0.33 H new ATOM 0 HG2 GLU A 73 -0.025 -2.897 -9.072 1.00 0.45 H new ATOM 0 HG3 GLU A 73 -0.749 -1.511 -9.862 1.00 0.45 H new ATOM 1093 N LEU A 74 1.743 -0.712 -5.550 1.00 0.27 N ATOM 1094 CA LEU A 74 1.935 0.122 -4.371 1.00 0.27 C ATOM 1095 C LEU A 74 3.333 -0.108 -3.843 1.00 0.25 C ATOM 1096 O LEU A 74 4.091 0.827 -3.591 1.00 0.25 O ATOM 1097 CB LEU A 74 0.896 -0.291 -3.307 1.00 0.30 C ATOM 1098 CG LEU A 74 0.615 0.678 -2.119 1.00 0.34 C ATOM 1099 CD1 LEU A 74 1.771 0.756 -1.131 1.00 0.98 C ATOM 1100 CD2 LEU A 74 0.267 2.069 -2.635 1.00 1.00 C ATOM 0 H LEU A 74 1.029 -1.431 -5.431 1.00 0.27 H new ATOM 0 HA LEU A 74 1.808 1.177 -4.615 1.00 0.27 H new ATOM 0 HB2 LEU A 74 -0.049 -0.468 -3.820 1.00 0.30 H new ATOM 0 HB3 LEU A 74 1.214 -1.245 -2.887 1.00 0.30 H new ATOM 0 HG LEU A 74 -0.237 0.268 -1.577 1.00 0.34 H new ATOM 0 HD11 LEU A 74 1.516 1.446 -0.327 1.00 0.98 H new ATOM 0 HD12 LEU A 74 1.961 -0.233 -0.714 1.00 0.98 H new ATOM 0 HD13 LEU A 74 2.665 1.111 -1.644 1.00 0.98 H new ATOM 0 HD21 LEU A 74 0.074 2.732 -1.792 1.00 1.00 H new ATOM 0 HD22 LEU A 74 1.100 2.459 -3.220 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -0.622 2.012 -3.263 1.00 1.00 H new ATOM 1112 N LEU A 75 3.668 -1.366 -3.711 1.00 0.29 N ATOM 1113 CA LEU A 75 4.939 -1.803 -3.204 1.00 0.34 C ATOM 1114 C LEU A 75 6.087 -1.332 -4.111 1.00 0.29 C ATOM 1115 O LEU A 75 7.191 -1.039 -3.639 1.00 0.30 O ATOM 1116 CB LEU A 75 4.904 -3.303 -3.141 1.00 0.49 C ATOM 1117 CG LEU A 75 6.093 -3.970 -2.536 1.00 0.42 C ATOM 1118 CD1 LEU A 75 6.147 -3.737 -1.034 1.00 0.43 C ATOM 1119 CD2 LEU A 75 6.082 -5.428 -2.890 1.00 0.90 C ATOM 0 H LEU A 75 3.045 -2.134 -3.961 1.00 0.29 H new ATOM 0 HA LEU A 75 5.116 -1.377 -2.216 1.00 0.34 H new ATOM 0 HB2 LEU A 75 4.021 -3.601 -2.575 1.00 0.49 H new ATOM 0 HB3 LEU A 75 4.777 -3.684 -4.154 1.00 0.49 H new ATOM 0 HG LEU A 75 7.003 -3.531 -2.945 1.00 0.42 H new ATOM 0 HD11 LEU A 75 7.024 -4.235 -0.620 1.00 0.43 H new ATOM 0 HD12 LEU A 75 6.208 -2.667 -0.834 1.00 0.43 H new ATOM 0 HD13 LEU A 75 5.247 -4.142 -0.570 1.00 0.43 H new ATOM 0 HD21 LEU A 75 6.951 -5.916 -2.448 1.00 0.90 H new ATOM 0 HD22 LEU A 75 5.172 -5.889 -2.506 1.00 0.90 H new ATOM 0 HD23 LEU A 75 6.115 -5.540 -3.974 1.00 0.90 H new ATOM 1131 N ASP A 76 5.799 -1.250 -5.408 1.00 0.29 N ATOM 1132 CA ASP A 76 6.757 -0.769 -6.413 1.00 0.33 C ATOM 1133 C ASP A 76 7.104 0.673 -6.136 1.00 0.29 C ATOM 1134 O ASP A 76 8.268 1.083 -6.222 1.00 0.33 O ATOM 1135 CB ASP A 76 6.172 -0.908 -7.828 1.00 0.40 C ATOM 1136 CG ASP A 76 7.062 -0.320 -8.902 1.00 0.55 C ATOM 1137 OD1 ASP A 76 8.061 -0.962 -9.281 1.00 0.70 O ATOM 1138 OD2 ASP A 76 6.783 0.805 -9.372 1.00 0.63 O ATOM 0 H ASP A 76 4.894 -1.515 -5.797 1.00 0.29 H new ATOM 0 HA ASP A 76 7.661 -1.375 -6.354 1.00 0.33 H new ATOM 0 HB2 ASP A 76 6.004 -1.963 -8.042 1.00 0.40 H new ATOM 0 HB3 ASP A 76 5.200 -0.417 -7.862 1.00 0.40 H new ATOM 1143 N LEU A 77 6.086 1.441 -5.787 1.00 0.25 N ATOM 1144 CA LEU A 77 6.267 2.827 -5.413 1.00 0.25 C ATOM 1145 C LEU A 77 7.129 2.924 -4.172 1.00 0.26 C ATOM 1146 O LEU A 77 8.065 3.716 -4.124 1.00 0.32 O ATOM 1147 CB LEU A 77 4.932 3.490 -5.124 1.00 0.26 C ATOM 1148 CG LEU A 77 3.963 3.651 -6.278 1.00 0.31 C ATOM 1149 CD1 LEU A 77 2.702 4.343 -5.787 1.00 0.35 C ATOM 1150 CD2 LEU A 77 4.600 4.437 -7.411 1.00 0.38 C ATOM 0 H LEU A 77 5.118 1.121 -5.756 1.00 0.25 H new ATOM 0 HA LEU A 77 6.750 3.335 -6.248 1.00 0.25 H new ATOM 0 HB2 LEU A 77 4.433 2.914 -4.344 1.00 0.26 H new ATOM 0 HB3 LEU A 77 5.131 4.479 -4.712 1.00 0.26 H new ATOM 0 HG LEU A 77 3.702 2.665 -6.663 1.00 0.31 H new ATOM 0 HD11 LEU A 77 2.004 4.459 -6.616 1.00 0.35 H new ATOM 0 HD12 LEU A 77 2.239 3.742 -5.004 1.00 0.35 H new ATOM 0 HD13 LEU A 77 2.958 5.324 -5.388 1.00 0.35 H new ATOM 0 HD21 LEU A 77 3.886 4.540 -8.228 1.00 0.38 H new ATOM 0 HD22 LEU A 77 4.886 5.426 -7.052 1.00 0.38 H new ATOM 0 HD23 LEU A 77 5.485 3.910 -7.767 1.00 0.38 H new ATOM 1162 N ILE A 78 6.794 2.104 -3.180 1.00 0.25 N ATOM 1163 CA ILE A 78 7.500 2.073 -1.904 1.00 0.29 C ATOM 1164 C ILE A 78 8.980 1.752 -2.116 1.00 0.34 C ATOM 1165 O ILE A 78 9.835 2.589 -1.864 1.00 0.40 O ATOM 1166 CB ILE A 78 6.902 0.997 -0.953 1.00 0.33 C ATOM 1167 CG1 ILE A 78 5.418 1.263 -0.648 1.00 0.36 C ATOM 1168 CG2 ILE A 78 7.703 0.938 0.346 1.00 0.43 C ATOM 1169 CD1 ILE A 78 5.152 2.546 0.123 1.00 0.46 C ATOM 0 H ILE A 78 6.022 1.440 -3.239 1.00 0.25 H new ATOM 0 HA ILE A 78 7.389 3.059 -1.454 1.00 0.29 H new ATOM 0 HB ILE A 78 6.967 0.035 -1.462 1.00 0.33 H new ATOM 0 HG12 ILE A 78 4.868 1.299 -1.588 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.021 0.423 -0.078 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.275 0.181 1.003 1.00 0.43 H new ATOM 0 HG22 ILE A 78 8.739 0.681 0.123 1.00 0.43 H new ATOM 0 HG23 ILE A 78 7.668 1.909 0.840 1.00 0.43 H new ATOM 0 HD11 ILE A 78 4.081 2.653 0.294 1.00 0.46 H new ATOM 0 HD12 ILE A 78 5.670 2.509 1.081 1.00 0.46 H new ATOM 0 HD13 ILE A 78 5.514 3.398 -0.452 1.00 0.46 H new ATOM 1181 N ASN A 79 9.263 0.551 -2.604 1.00 0.37 N ATOM 1182 CA ASN A 79 10.644 0.088 -2.775 1.00 0.46 C ATOM 1183 C ASN A 79 11.437 0.945 -3.750 1.00 0.40 C ATOM 1184 O ASN A 79 12.644 1.146 -3.569 1.00 0.45 O ATOM 1185 CB ASN A 79 10.725 -1.407 -3.138 1.00 0.62 C ATOM 1186 CG ASN A 79 10.266 -2.321 -2.005 1.00 0.84 C ATOM 1187 OD1 ASN A 79 10.329 -1.959 -0.831 1.00 1.89 O ATOM 1188 ND2 ASN A 79 9.886 -3.528 -2.336 1.00 0.56 N ATOM 0 H ASN A 79 8.556 -0.126 -2.891 1.00 0.37 H new ATOM 0 HA ASN A 79 11.116 0.205 -1.800 1.00 0.46 H new ATOM 0 HB2 ASN A 79 10.113 -1.595 -4.020 1.00 0.62 H new ATOM 0 HB3 ASN A 79 11.752 -1.655 -3.405 1.00 0.62 H new ATOM 0 HD21 ASN A 79 9.632 -4.199 -1.611 1.00 0.56 H new ATOM 0 HD22 ASN A 79 9.844 -3.798 -3.319 1.00 0.56 H new ATOM 1195 N GLY A 80 10.760 1.476 -4.758 1.00 0.38 N ATOM 1196 CA GLY A 80 11.400 2.361 -5.702 1.00 0.41 C ATOM 1197 C GLY A 80 11.842 3.650 -5.031 1.00 0.45 C ATOM 1198 O GLY A 80 12.964 4.126 -5.255 1.00 0.55 O ATOM 0 H GLY A 80 9.770 1.306 -4.937 1.00 0.38 H new ATOM 0 HA2 GLY A 80 12.263 1.863 -6.144 1.00 0.41 H new ATOM 0 HA3 GLY A 80 10.712 2.589 -6.516 1.00 0.41 H new ATOM 1202 N ALA A 81 10.982 4.178 -4.167 1.00 0.44 N ATOM 1203 CA ALA A 81 11.258 5.409 -3.427 1.00 0.51 C ATOM 1204 C ALA A 81 12.251 5.156 -2.297 1.00 0.54 C ATOM 1205 O ALA A 81 13.002 6.049 -1.890 1.00 0.69 O ATOM 1206 CB ALA A 81 9.970 5.971 -2.860 1.00 0.52 C ATOM 0 H ALA A 81 10.073 3.766 -3.958 1.00 0.44 H new ATOM 0 HA ALA A 81 11.697 6.130 -4.117 1.00 0.51 H new ATOM 0 HB1 ALA A 81 10.184 6.888 -2.310 1.00 0.52 H new ATOM 0 HB2 ALA A 81 9.279 6.189 -3.674 1.00 0.52 H new ATOM 0 HB3 ALA A 81 9.520 5.241 -2.187 1.00 0.52 H new ATOM 1212 N LEU A 82 12.255 3.940 -1.797 1.00 0.44 N ATOM 1213 CA LEU A 82 13.133 3.536 -0.733 1.00 0.50 C ATOM 1214 C LEU A 82 14.577 3.499 -1.232 1.00 0.60 C ATOM 1215 O LEU A 82 15.513 3.824 -0.505 1.00 0.70 O ATOM 1216 CB LEU A 82 12.696 2.168 -0.207 1.00 0.48 C ATOM 1217 CG LEU A 82 13.514 1.602 0.933 1.00 0.58 C ATOM 1218 CD1 LEU A 82 13.433 2.494 2.170 1.00 0.60 C ATOM 1219 CD2 LEU A 82 13.083 0.187 1.253 1.00 0.66 C ATOM 0 H LEU A 82 11.638 3.197 -2.126 1.00 0.44 H new ATOM 0 HA LEU A 82 13.078 4.256 0.083 1.00 0.50 H new ATOM 0 HB2 LEU A 82 11.658 2.241 0.118 1.00 0.48 H new ATOM 0 HB3 LEU A 82 12.722 1.458 -1.034 1.00 0.48 H new ATOM 0 HG LEU A 82 14.556 1.574 0.615 1.00 0.58 H new ATOM 0 HD11 LEU A 82 14.031 2.060 2.971 1.00 0.60 H new ATOM 0 HD12 LEU A 82 13.815 3.486 1.929 1.00 0.60 H new ATOM 0 HD13 LEU A 82 12.395 2.573 2.494 1.00 0.60 H new ATOM 0 HD21 LEU A 82 13.685 -0.199 2.076 1.00 0.66 H new ATOM 0 HD22 LEU A 82 12.031 0.183 1.540 1.00 0.66 H new ATOM 0 HD23 LEU A 82 13.222 -0.443 0.375 1.00 0.66 H new ATOM 1231 N ALA A 83 14.743 3.142 -2.494 1.00 0.64 N ATOM 1232 CA ALA A 83 16.057 3.118 -3.101 1.00 0.79 C ATOM 1233 C ALA A 83 16.611 4.542 -3.232 1.00 0.95 C ATOM 1234 O ALA A 83 17.823 4.750 -3.157 1.00 1.13 O ATOM 1235 CB ALA A 83 16.026 2.403 -4.446 1.00 0.86 C ATOM 0 H ALA A 83 13.983 2.865 -3.116 1.00 0.64 H new ATOM 0 HA ALA A 83 16.728 2.555 -2.452 1.00 0.79 H new ATOM 0 HB1 ALA A 83 17.026 2.400 -4.879 1.00 0.86 H new ATOM 0 HB2 ALA A 83 15.688 1.376 -4.305 1.00 0.86 H new ATOM 0 HB3 ALA A 83 15.341 2.921 -5.118 1.00 0.86 H new ATOM 1241 N GLU A 84 15.700 5.525 -3.381 1.00 0.95 N ATOM 1242 CA GLU A 84 16.074 6.917 -3.452 1.00 1.17 C ATOM 1243 C GLU A 84 16.552 7.381 -2.087 1.00 1.25 C ATOM 1244 O GLU A 84 17.452 8.224 -1.980 1.00 1.52 O ATOM 1245 CB GLU A 84 14.887 7.767 -3.859 1.00 1.23 C ATOM 1246 CG GLU A 84 14.241 7.396 -5.173 1.00 1.40 C ATOM 1247 CD GLU A 84 13.126 8.337 -5.521 1.00 1.80 C ATOM 1248 OE1 GLU A 84 12.069 8.309 -4.848 1.00 2.47 O ATOM 1249 OE2 GLU A 84 13.271 9.127 -6.454 1.00 2.17 O ATOM 0 H GLU A 84 14.696 5.359 -3.453 1.00 0.95 H new ATOM 0 HA GLU A 84 16.867 7.024 -4.192 1.00 1.17 H new ATOM 0 HB2 GLU A 84 14.133 7.707 -3.074 1.00 1.23 H new ATOM 0 HB3 GLU A 84 15.209 8.807 -3.913 1.00 1.23 H new ATOM 0 HG2 GLU A 84 14.990 7.409 -5.965 1.00 1.40 H new ATOM 0 HG3 GLU A 84 13.855 6.378 -5.116 1.00 1.40 H new ATOM 1256 N ALA A 85 15.946 6.820 -1.045 1.00 1.13 N ATOM 1257 CA ALA A 85 16.284 7.146 0.333 1.00 1.31 C ATOM 1258 C ALA A 85 17.689 6.653 0.681 1.00 1.69 C ATOM 1259 O ALA A 85 18.389 7.289 1.468 1.00 2.07 O ATOM 1260 CB ALA A 85 15.253 6.572 1.296 1.00 1.28 C ATOM 0 H ALA A 85 15.205 6.125 -1.135 1.00 1.13 H new ATOM 0 HA ALA A 85 16.273 8.231 0.435 1.00 1.31 H new ATOM 0 HB1 ALA A 85 15.528 6.829 2.319 1.00 1.28 H new ATOM 0 HB2 ALA A 85 14.271 6.988 1.069 1.00 1.28 H new ATOM 0 HB3 ALA A 85 15.221 5.488 1.191 1.00 1.28 H new ATOM 1266 N ALA A 86 18.079 5.528 0.071 1.00 1.91 N ATOM 1267 CA ALA A 86 19.416 4.928 0.201 1.00 2.53 C ATOM 1268 C ALA A 86 19.676 4.384 1.598 1.00 2.95 C ATOM 1269 O ALA A 86 20.163 5.121 2.468 1.00 3.39 O ATOM 1270 CB ALA A 86 20.523 5.889 -0.242 1.00 3.21 C ATOM 1271 OXT ALA A 86 19.397 3.190 1.838 1.00 3.44 O ATOM 0 H ALA A 86 17.461 4.996 -0.541 1.00 1.91 H new ATOM 0 HA ALA A 86 19.435 4.076 -0.478 1.00 2.53 H new ATOM 0 HB1 ALA A 86 21.493 5.404 -0.129 1.00 3.21 H new ATOM 0 HB2 ALA A 86 20.373 6.160 -1.287 1.00 3.21 H new ATOM 0 HB3 ALA A 86 20.493 6.788 0.374 1.00 3.21 H new TER 1277 ALA A 86 HETATM 1278 P24 SDO A 101 -11.544 9.215 -0.819 1.00 1.71 P HETATM 1279 O26 SDO A 101 -11.307 8.187 0.287 1.00 2.14 O HETATM 1280 O23 SDO A 101 -12.975 9.376 -1.367 1.00 2.28 O HETATM 1281 O27 SDO A 101 -11.024 10.582 -0.308 1.00 1.72 O HETATM 1282 C28 SDO A 101 -11.093 11.762 -1.179 1.00 1.71 C HETATM 1283 C29 SDO A 101 -10.415 12.970 -0.505 1.00 1.77 C HETATM 1284 C30 SDO A 101 -11.205 13.313 0.752 1.00 1.95 C HETATM 1285 C31 SDO A 101 -8.979 12.612 -0.115 1.00 1.99 C HETATM 1286 C32 SDO A 101 -10.362 14.219 -1.487 1.00 2.08 C HETATM 1287 O33 SDO A 101 -9.526 15.260 -0.953 1.00 2.35 O HETATM 1288 C34 SDO A 101 -11.742 14.822 -1.782 1.00 2.45 C HETATM 1289 O35 SDO A 101 -12.763 14.146 -1.951 1.00 3.01 O HETATM 1290 N36 SDO A 101 -11.734 16.124 -1.841 1.00 2.76 N HETATM 1291 C37 SDO A 101 -12.894 16.973 -2.100 1.00 3.46 C HETATM 1292 C38 SDO A 101 -12.941 18.169 -1.133 1.00 3.69 C HETATM 1293 C39 SDO A 101 -13.156 17.785 0.347 1.00 3.12 C HETATM 1294 O40 SDO A 101 -13.017 18.623 1.259 1.00 3.47 O HETATM 1295 N41 SDO A 101 -13.485 16.511 0.570 1.00 2.75 N HETATM 1296 C42 SDO A 101 -13.719 15.939 1.881 1.00 2.56 C HETATM 1297 C43 SDO A 101 -14.700 14.794 1.825 1.00 3.16 C HETATM 1298 S1 SDO A 101 -15.183 13.979 3.371 1.00 3.65 S HETATM 1299 C1 SDO A 101 -14.429 14.615 4.903 1.00 3.41 C HETATM 1300 C2 SDO A 101 -13.445 15.780 4.831 1.00 3.06 C HETATM 1301 C3 SDO A 101 -12.785 16.338 6.168 1.00 3.84 C HETATM 1302 O3 SDO A 101 -11.993 17.277 6.036 1.00 4.23 O HETATM 1303 C4 SDO A 101 -13.032 15.808 7.652 1.00 4.62 C HETATM 1304 C5 SDO A 101 -13.997 14.644 7.881 1.00 4.78 C HETATM 1305 C6 SDO A 101 -14.088 14.241 9.353 1.00 5.75 C HETATM 1306 C7 SDO A 101 -15.048 13.063 9.616 1.00 6.28 C HETATM 1307 O7 SDO A 101 -15.211 12.620 10.766 1.00 7.10 O HETATM 1308 C8 SDO A 101 -15.787 12.436 8.441 1.00 6.09 C