USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 656 hydrogens (27 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 21 THR OG1 : rot -125:sc= 0.313 USER MOD Set 1.2: A 40 TYR OH : rot 169:sc= 1.83 USER MOD Set 2.1: A 17 SER OG : rot -142:sc= 0.00713 USER MOD Set 2.2: A 48 THR OG1 : rot 71:sc= 0.154 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.105 (180deg=-0.565) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.204 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -71:sc= 1.25 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.669 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -128:sc= -0.0458 (180deg=-1.97) USER MOD Single : A 54 SER OG : rot 85:sc= 0.407 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.948 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 87 SXV O33 : rot 180:sc= 0.0796 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.548 -8.364 -6.084 1.00 2.87 N ATOM 2 CA MET A 1 18.181 -7.859 -6.184 1.00 2.67 C ATOM 3 C MET A 1 17.577 -7.849 -4.793 1.00 2.47 C ATOM 4 O MET A 1 18.261 -8.194 -3.822 1.00 2.83 O ATOM 5 CB MET A 1 17.330 -8.722 -7.157 1.00 3.14 C ATOM 6 CG MET A 1 17.033 -10.142 -6.682 1.00 3.63 C ATOM 7 SD MET A 1 16.079 -11.114 -7.876 1.00 4.48 S ATOM 8 CE MET A 1 17.220 -11.180 -9.258 1.00 5.01 C ATOM 0 H1 MET A 1 20.204 -7.675 -6.505 1.00 2.87 H new ATOM 0 H2 MET A 1 19.792 -8.509 -5.084 1.00 2.87 H new ATOM 0 H3 MET A 1 19.622 -9.268 -6.593 1.00 2.87 H new ATOM 0 HA MET A 1 18.192 -6.848 -6.591 1.00 2.67 H new ATOM 0 HB2 MET A 1 16.384 -8.211 -7.336 1.00 3.14 H new ATOM 0 HB3 MET A 1 17.848 -8.778 -8.114 1.00 3.14 H new ATOM 0 HG2 MET A 1 17.974 -10.653 -6.477 1.00 3.63 H new ATOM 0 HG3 MET A 1 16.484 -10.095 -5.741 1.00 3.63 H new ATOM 0 HE1 MET A 1 16.941 -11.999 -9.921 1.00 5.01 H new ATOM 0 HE2 MET A 1 17.181 -10.239 -9.807 1.00 5.01 H new ATOM 0 HE3 MET A 1 18.232 -11.342 -8.887 1.00 5.01 H new ATOM 20 N ALA A 2 16.328 -7.469 -4.680 1.00 2.15 N ATOM 21 CA ALA A 2 15.668 -7.425 -3.396 1.00 2.02 C ATOM 22 C ALA A 2 14.364 -8.182 -3.475 1.00 1.59 C ATOM 23 O ALA A 2 13.817 -8.369 -4.576 1.00 1.59 O ATOM 24 CB ALA A 2 15.418 -5.979 -2.982 1.00 2.33 C ATOM 0 H ALA A 2 15.744 -7.184 -5.466 1.00 2.15 H new ATOM 0 HA ALA A 2 16.307 -7.891 -2.646 1.00 2.02 H new ATOM 0 HB1 ALA A 2 14.920 -5.959 -2.013 1.00 2.33 H new ATOM 0 HB2 ALA A 2 16.369 -5.451 -2.912 1.00 2.33 H new ATOM 0 HB3 ALA A 2 14.786 -5.492 -3.725 1.00 2.33 H new ATOM 30 N THR A 3 13.878 -8.649 -2.349 1.00 1.52 N ATOM 31 CA THR A 3 12.613 -9.313 -2.310 1.00 1.28 C ATOM 32 C THR A 3 11.531 -8.252 -2.374 1.00 1.04 C ATOM 33 O THR A 3 11.325 -7.496 -1.412 1.00 1.23 O ATOM 34 CB THR A 3 12.472 -10.086 -1.009 1.00 1.66 C ATOM 35 OG1 THR A 3 13.602 -10.967 -0.835 1.00 2.10 O ATOM 36 CG2 THR A 3 11.185 -10.900 -0.992 1.00 2.36 C ATOM 0 H THR A 3 14.349 -8.577 -1.447 1.00 1.52 H new ATOM 0 HA THR A 3 12.529 -10.009 -3.145 1.00 1.28 H new ATOM 0 HB THR A 3 12.437 -9.367 -0.191 1.00 1.66 H new ATOM 0 HG1 THR A 3 13.505 -11.461 0.006 1.00 2.10 H new ATOM 0 HG21 THR A 3 11.110 -11.443 -0.050 1.00 2.36 H new ATOM 0 HG22 THR A 3 10.330 -10.231 -1.094 1.00 2.36 H new ATOM 0 HG23 THR A 3 11.192 -11.609 -1.820 1.00 2.36 H new ATOM 44 N LEU A 4 10.896 -8.153 -3.504 1.00 0.77 N ATOM 45 CA LEU A 4 9.880 -7.180 -3.698 1.00 0.59 C ATOM 46 C LEU A 4 8.591 -7.736 -3.183 1.00 0.58 C ATOM 47 O LEU A 4 8.280 -8.910 -3.422 1.00 0.79 O ATOM 48 CB LEU A 4 9.759 -6.821 -5.180 1.00 0.63 C ATOM 49 CG LEU A 4 11.044 -6.341 -5.864 1.00 0.70 C ATOM 50 CD1 LEU A 4 10.773 -5.990 -7.315 1.00 0.86 C ATOM 51 CD2 LEU A 4 11.649 -5.153 -5.127 1.00 0.64 C ATOM 0 H LEU A 4 11.073 -8.748 -4.313 1.00 0.77 H new ATOM 0 HA LEU A 4 10.130 -6.268 -3.157 1.00 0.59 H new ATOM 0 HB2 LEU A 4 9.391 -7.696 -5.716 1.00 0.63 H new ATOM 0 HB3 LEU A 4 9.003 -6.042 -5.284 1.00 0.63 H new ATOM 0 HG LEU A 4 11.767 -7.156 -5.833 1.00 0.70 H new ATOM 0 HD11 LEU A 4 11.696 -5.651 -7.786 1.00 0.86 H new ATOM 0 HD12 LEU A 4 10.400 -6.870 -7.839 1.00 0.86 H new ATOM 0 HD13 LEU A 4 10.028 -5.196 -7.364 1.00 0.86 H new ATOM 0 HD21 LEU A 4 12.559 -4.835 -5.635 1.00 0.64 H new ATOM 0 HD22 LEU A 4 10.934 -4.330 -5.114 1.00 0.64 H new ATOM 0 HD23 LEU A 4 11.887 -5.443 -4.104 1.00 0.64 H new ATOM 63 N LEU A 5 7.867 -6.937 -2.447 1.00 0.53 N ATOM 64 CA LEU A 5 6.614 -7.370 -1.914 1.00 0.58 C ATOM 65 C LEU A 5 5.600 -7.587 -3.015 1.00 0.47 C ATOM 66 O LEU A 5 5.542 -6.817 -3.995 1.00 0.54 O ATOM 67 CB LEU A 5 6.120 -6.466 -0.753 1.00 0.85 C ATOM 68 CG LEU A 5 6.017 -4.942 -0.952 1.00 0.59 C ATOM 69 CD1 LEU A 5 4.848 -4.550 -1.826 1.00 0.85 C ATOM 70 CD2 LEU A 5 5.906 -4.266 0.389 1.00 1.27 C ATOM 0 H LEU A 5 8.128 -5.981 -2.205 1.00 0.53 H new ATOM 0 HA LEU A 5 6.761 -8.345 -1.450 1.00 0.58 H new ATOM 0 HB2 LEU A 5 5.131 -6.822 -0.463 1.00 0.85 H new ATOM 0 HB3 LEU A 5 6.782 -6.638 0.096 1.00 0.85 H new ATOM 0 HG LEU A 5 6.922 -4.616 -1.464 1.00 0.59 H new ATOM 0 HD11 LEU A 5 4.822 -3.466 -1.934 1.00 0.85 H new ATOM 0 HD12 LEU A 5 4.958 -5.010 -2.808 1.00 0.85 H new ATOM 0 HD13 LEU A 5 3.920 -4.892 -1.367 1.00 0.85 H new ATOM 0 HD21 LEU A 5 5.833 -3.188 0.248 1.00 1.27 H new ATOM 0 HD22 LEU A 5 5.016 -4.625 0.905 1.00 1.27 H new ATOM 0 HD23 LEU A 5 6.789 -4.495 0.986 1.00 1.27 H new ATOM 82 N THR A 6 4.874 -8.655 -2.894 1.00 0.43 N ATOM 83 CA THR A 6 3.911 -9.042 -3.871 1.00 0.48 C ATOM 84 C THR A 6 2.560 -8.440 -3.570 1.00 0.49 C ATOM 85 O THR A 6 2.422 -7.609 -2.643 1.00 0.52 O ATOM 86 CB THR A 6 3.786 -10.586 -3.979 1.00 0.58 C ATOM 87 OG1 THR A 6 3.438 -11.161 -2.691 1.00 0.64 O ATOM 88 CG2 THR A 6 5.080 -11.195 -4.486 1.00 0.76 C ATOM 0 H THR A 6 4.937 -9.291 -2.099 1.00 0.43 H new ATOM 0 HA THR A 6 4.264 -8.661 -4.829 1.00 0.48 H new ATOM 0 HB THR A 6 2.992 -10.812 -4.691 1.00 0.58 H new ATOM 0 HG1 THR A 6 4.206 -11.095 -2.085 1.00 0.64 H new ATOM 0 HG21 THR A 6 4.971 -12.277 -4.554 1.00 0.76 H new ATOM 0 HG22 THR A 6 5.311 -10.791 -5.472 1.00 0.76 H new ATOM 0 HG23 THR A 6 5.890 -10.955 -3.797 1.00 0.76 H new ATOM 96 N THR A 7 1.566 -8.885 -4.298 1.00 0.56 N ATOM 97 CA THR A 7 0.236 -8.428 -4.129 1.00 0.62 C ATOM 98 C THR A 7 -0.283 -8.884 -2.757 1.00 0.64 C ATOM 99 O THR A 7 -0.966 -8.139 -2.074 1.00 0.73 O ATOM 100 CB THR A 7 -0.625 -8.981 -5.278 1.00 0.74 C ATOM 101 OG1 THR A 7 0.061 -8.708 -6.517 1.00 1.34 O ATOM 102 CG2 THR A 7 -1.973 -8.299 -5.317 1.00 1.19 C ATOM 0 H THR A 7 1.674 -9.585 -5.032 1.00 0.56 H new ATOM 0 HA THR A 7 0.190 -7.339 -4.159 1.00 0.62 H new ATOM 0 HB THR A 7 -0.778 -10.050 -5.130 1.00 0.74 H new ATOM 0 HG1 THR A 7 -0.468 -9.053 -7.267 1.00 1.34 H new ATOM 0 HG21 THR A 7 -2.563 -8.707 -6.137 1.00 1.19 H new ATOM 0 HG22 THR A 7 -2.494 -8.469 -4.375 1.00 1.19 H new ATOM 0 HG23 THR A 7 -1.835 -7.228 -5.467 1.00 1.19 H new ATOM 110 N ASP A 8 0.130 -10.082 -2.332 1.00 0.65 N ATOM 111 CA ASP A 8 -0.270 -10.623 -1.026 1.00 0.71 C ATOM 112 C ASP A 8 0.373 -9.862 0.106 1.00 0.65 C ATOM 113 O ASP A 8 -0.286 -9.529 1.079 1.00 0.69 O ATOM 114 CB ASP A 8 0.079 -12.101 -0.894 1.00 0.86 C ATOM 115 CG ASP A 8 -0.191 -12.654 0.509 1.00 1.61 C ATOM 116 OD1 ASP A 8 -1.363 -12.706 0.930 1.00 1.74 O ATOM 117 OD2 ASP A 8 0.758 -12.947 1.239 1.00 2.44 O ATOM 0 H ASP A 8 0.740 -10.696 -2.871 1.00 0.65 H new ATOM 0 HA ASP A 8 -1.352 -10.510 -0.966 1.00 0.71 H new ATOM 0 HB2 ASP A 8 -0.498 -12.672 -1.621 1.00 0.86 H new ATOM 0 HB3 ASP A 8 1.131 -12.244 -1.139 1.00 0.86 H new ATOM 122 N ASP A 9 1.658 -9.555 -0.041 1.00 0.60 N ATOM 123 CA ASP A 9 2.405 -8.838 1.007 1.00 0.61 C ATOM 124 C ASP A 9 1.774 -7.480 1.249 1.00 0.56 C ATOM 125 O ASP A 9 1.548 -7.077 2.396 1.00 0.62 O ATOM 126 CB ASP A 9 3.886 -8.645 0.638 1.00 0.64 C ATOM 127 CG ASP A 9 4.651 -9.926 0.385 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.012 -10.634 1.337 1.00 1.32 O ATOM 129 OD2 ASP A 9 4.906 -10.253 -0.785 1.00 2.06 O ATOM 0 H ASP A 9 2.208 -9.787 -0.868 1.00 0.60 H new ATOM 0 HA ASP A 9 2.360 -9.447 1.910 1.00 0.61 H new ATOM 0 HB2 ASP A 9 3.945 -8.021 -0.254 1.00 0.64 H new ATOM 0 HB3 ASP A 9 4.378 -8.098 1.442 1.00 0.64 H new ATOM 134 N LEU A 10 1.458 -6.794 0.154 1.00 0.52 N ATOM 135 CA LEU A 10 0.799 -5.500 0.205 1.00 0.51 C ATOM 136 C LEU A 10 -0.611 -5.654 0.780 1.00 0.52 C ATOM 137 O LEU A 10 -1.024 -4.884 1.647 1.00 0.58 O ATOM 138 CB LEU A 10 0.733 -4.887 -1.206 1.00 0.50 C ATOM 139 CG LEU A 10 0.053 -3.513 -1.326 1.00 0.51 C ATOM 140 CD1 LEU A 10 0.804 -2.460 -0.530 1.00 0.60 C ATOM 141 CD2 LEU A 10 -0.063 -3.100 -2.784 1.00 0.56 C ATOM 0 H LEU A 10 1.653 -7.123 -0.792 1.00 0.52 H new ATOM 0 HA LEU A 10 1.372 -4.835 0.851 1.00 0.51 H new ATOM 0 HB2 LEU A 10 1.750 -4.799 -1.588 1.00 0.50 H new ATOM 0 HB3 LEU A 10 0.208 -5.586 -1.857 1.00 0.50 H new ATOM 0 HG LEU A 10 -0.951 -3.597 -0.909 1.00 0.51 H new ATOM 0 HD11 LEU A 10 0.301 -1.499 -0.633 1.00 0.60 H new ATOM 0 HD12 LEU A 10 0.827 -2.747 0.521 1.00 0.60 H new ATOM 0 HD13 LEU A 10 1.824 -2.378 -0.906 1.00 0.60 H new ATOM 0 HD21 LEU A 10 -0.547 -2.125 -2.849 1.00 0.56 H new ATOM 0 HD22 LEU A 10 0.932 -3.042 -3.226 1.00 0.56 H new ATOM 0 HD23 LEU A 10 -0.657 -3.837 -3.325 1.00 0.56 H new ATOM 153 N ARG A 11 -1.317 -6.676 0.303 1.00 0.51 N ATOM 154 CA ARG A 11 -2.690 -6.981 0.714 1.00 0.54 C ATOM 155 C ARG A 11 -2.770 -7.154 2.226 1.00 0.53 C ATOM 156 O ARG A 11 -3.627 -6.561 2.882 1.00 0.57 O ATOM 157 CB ARG A 11 -3.152 -8.265 0.021 1.00 0.60 C ATOM 158 CG ARG A 11 -4.629 -8.545 0.114 1.00 0.82 C ATOM 159 CD ARG A 11 -4.984 -9.827 -0.606 1.00 0.98 C ATOM 160 NE ARG A 11 -4.520 -11.017 0.108 1.00 1.50 N ATOM 161 CZ ARG A 11 -4.476 -12.258 -0.406 1.00 2.13 C ATOM 162 NH1 ARG A 11 -4.537 -12.439 -1.716 1.00 2.32 N ATOM 163 NH2 ARG A 11 -4.268 -13.296 0.388 1.00 3.08 N ATOM 0 H ARG A 11 -0.948 -7.327 -0.390 1.00 0.51 H new ATOM 0 HA ARG A 11 -3.338 -6.153 0.426 1.00 0.54 H new ATOM 0 HB2 ARG A 11 -2.874 -8.212 -1.031 1.00 0.60 H new ATOM 0 HB3 ARG A 11 -2.610 -9.107 0.452 1.00 0.60 H new ATOM 0 HG2 ARG A 11 -4.924 -8.618 1.161 1.00 0.82 H new ATOM 0 HG3 ARG A 11 -5.188 -7.715 -0.317 1.00 0.82 H new ATOM 0 HD2 ARG A 11 -6.065 -9.882 -0.732 1.00 0.98 H new ATOM 0 HD3 ARG A 11 -4.547 -9.812 -1.604 1.00 0.98 H new ATOM 0 HE ARG A 11 -4.206 -10.895 1.071 1.00 1.50 H new ATOM 0 HH11 ARG A 11 -4.618 -11.635 -2.339 1.00 2.32 H new ATOM 0 HH12 ARG A 11 -4.503 -13.382 -2.103 1.00 2.32 H new ATOM 0 HH21 ARG A 11 -4.141 -13.154 1.390 1.00 3.08 H new ATOM 0 HH22 ARG A 11 -4.235 -14.238 -0.002 1.00 3.08 H new ATOM 177 N ARG A 12 -1.840 -7.943 2.767 1.00 0.54 N ATOM 178 CA ARG A 12 -1.765 -8.212 4.201 1.00 0.59 C ATOM 179 C ARG A 12 -1.690 -6.928 4.994 1.00 0.61 C ATOM 180 O ARG A 12 -2.496 -6.700 5.897 1.00 0.66 O ATOM 181 CB ARG A 12 -0.551 -9.078 4.545 1.00 0.72 C ATOM 182 CG ARG A 12 -0.604 -10.500 4.022 1.00 0.94 C ATOM 183 CD ARG A 12 0.640 -11.272 4.429 1.00 1.09 C ATOM 184 NE ARG A 12 0.833 -11.273 5.891 1.00 1.71 N ATOM 185 CZ ARG A 12 1.963 -11.617 6.538 1.00 2.06 C ATOM 186 NH1 ARG A 12 3.037 -11.995 5.858 1.00 1.90 N ATOM 187 NH2 ARG A 12 2.016 -11.546 7.861 1.00 3.10 N ATOM 0 H ARG A 12 -1.118 -8.413 2.221 1.00 0.54 H new ATOM 0 HA ARG A 12 -2.675 -8.750 4.468 1.00 0.59 H new ATOM 0 HB2 ARG A 12 0.343 -8.596 4.150 1.00 0.72 H new ATOM 0 HB3 ARG A 12 -0.443 -9.110 5.629 1.00 0.72 H new ATOM 0 HG2 ARG A 12 -1.491 -11.001 4.409 1.00 0.94 H new ATOM 0 HG3 ARG A 12 -0.692 -10.490 2.936 1.00 0.94 H new ATOM 0 HD2 ARG A 12 0.563 -12.299 4.072 1.00 1.09 H new ATOM 0 HD3 ARG A 12 1.514 -10.832 3.948 1.00 1.09 H new ATOM 0 HE ARG A 12 0.039 -10.987 6.464 1.00 1.71 H new ATOM 0 HH11 ARG A 12 3.010 -12.026 4.839 1.00 1.90 H new ATOM 0 HH12 ARG A 12 3.890 -12.254 6.354 1.00 1.90 H new ATOM 0 HH21 ARG A 12 1.201 -11.231 8.388 1.00 3.10 H new ATOM 0 HH22 ARG A 12 2.871 -11.806 8.352 1.00 3.10 H new ATOM 201 N ALA A 13 -0.759 -6.072 4.616 1.00 0.66 N ATOM 202 CA ALA A 13 -0.525 -4.822 5.312 1.00 0.77 C ATOM 203 C ALA A 13 -1.684 -3.863 5.159 1.00 0.66 C ATOM 204 O ALA A 13 -1.981 -3.096 6.071 1.00 0.70 O ATOM 205 CB ALA A 13 0.733 -4.182 4.817 1.00 0.95 C ATOM 0 H ALA A 13 -0.144 -6.225 3.817 1.00 0.66 H new ATOM 0 HA ALA A 13 -0.424 -5.054 6.372 1.00 0.77 H new ATOM 0 HB1 ALA A 13 0.897 -3.244 5.348 1.00 0.95 H new ATOM 0 HB2 ALA A 13 1.575 -4.851 4.993 1.00 0.95 H new ATOM 0 HB3 ALA A 13 0.644 -3.984 3.749 1.00 0.95 H new ATOM 211 N LEU A 14 -2.335 -3.910 4.008 1.00 0.58 N ATOM 212 CA LEU A 14 -3.487 -3.067 3.732 1.00 0.57 C ATOM 213 C LEU A 14 -4.595 -3.411 4.736 1.00 0.56 C ATOM 214 O LEU A 14 -5.260 -2.519 5.302 1.00 0.77 O ATOM 215 CB LEU A 14 -3.955 -3.284 2.280 1.00 0.59 C ATOM 216 CG LEU A 14 -4.919 -2.245 1.704 1.00 0.69 C ATOM 217 CD1 LEU A 14 -4.251 -0.881 1.636 1.00 1.09 C ATOM 218 CD2 LEU A 14 -5.381 -2.660 0.326 1.00 1.40 C ATOM 0 H LEU A 14 -2.081 -4.532 3.241 1.00 0.58 H new ATOM 0 HA LEU A 14 -3.227 -2.014 3.841 1.00 0.57 H new ATOM 0 HB2 LEU A 14 -3.073 -3.321 1.641 1.00 0.59 H new ATOM 0 HB3 LEU A 14 -4.433 -4.262 2.220 1.00 0.59 H new ATOM 0 HG LEU A 14 -5.786 -2.181 2.362 1.00 0.69 H new ATOM 0 HD11 LEU A 14 -4.950 -0.154 1.224 1.00 1.09 H new ATOM 0 HD12 LEU A 14 -3.953 -0.571 2.638 1.00 1.09 H new ATOM 0 HD13 LEU A 14 -3.370 -0.939 0.997 1.00 1.09 H new ATOM 0 HD21 LEU A 14 -6.066 -1.910 -0.069 1.00 1.40 H new ATOM 0 HD22 LEU A 14 -4.519 -2.749 -0.335 1.00 1.40 H new ATOM 0 HD23 LEU A 14 -5.891 -3.621 0.388 1.00 1.40 H new ATOM 230 N VAL A 15 -4.744 -4.710 4.994 1.00 0.46 N ATOM 231 CA VAL A 15 -5.670 -5.205 6.000 1.00 0.49 C ATOM 232 C VAL A 15 -5.192 -4.751 7.384 1.00 0.52 C ATOM 233 O VAL A 15 -5.941 -4.127 8.114 1.00 0.66 O ATOM 234 CB VAL A 15 -5.775 -6.760 5.968 1.00 0.55 C ATOM 235 CG1 VAL A 15 -6.731 -7.267 7.044 1.00 0.67 C ATOM 236 CG2 VAL A 15 -6.237 -7.239 4.599 1.00 0.59 C ATOM 0 H VAL A 15 -4.226 -5.443 4.510 1.00 0.46 H new ATOM 0 HA VAL A 15 -6.659 -4.800 5.786 1.00 0.49 H new ATOM 0 HB VAL A 15 -4.782 -7.163 6.168 1.00 0.55 H new ATOM 0 HG11 VAL A 15 -6.785 -8.355 6.999 1.00 0.67 H new ATOM 0 HG12 VAL A 15 -6.369 -6.962 8.026 1.00 0.67 H new ATOM 0 HG13 VAL A 15 -7.723 -6.847 6.877 1.00 0.67 H new ATOM 0 HG21 VAL A 15 -6.304 -8.327 4.598 1.00 0.59 H new ATOM 0 HG22 VAL A 15 -7.216 -6.815 4.377 1.00 0.59 H new ATOM 0 HG23 VAL A 15 -5.522 -6.918 3.841 1.00 0.59 H new ATOM 246 N GLU A 16 -3.912 -5.032 7.705 1.00 0.48 N ATOM 247 CA GLU A 16 -3.294 -4.676 9.017 1.00 0.54 C ATOM 248 C GLU A 16 -3.451 -3.179 9.343 1.00 0.51 C ATOM 249 O GLU A 16 -3.463 -2.780 10.514 1.00 0.63 O ATOM 250 CB GLU A 16 -1.787 -5.042 9.047 1.00 0.64 C ATOM 251 CG GLU A 16 -1.492 -6.516 8.780 1.00 0.83 C ATOM 252 CD GLU A 16 -0.022 -6.862 8.895 1.00 1.12 C ATOM 253 OE1 GLU A 16 0.788 -6.336 8.107 1.00 1.94 O ATOM 254 OE2 GLU A 16 0.355 -7.690 9.742 1.00 1.14 O ATOM 0 H GLU A 16 -3.273 -5.510 7.070 1.00 0.48 H new ATOM 0 HA GLU A 16 -3.825 -5.256 9.772 1.00 0.54 H new ATOM 0 HB2 GLU A 16 -1.264 -4.439 8.305 1.00 0.64 H new ATOM 0 HB3 GLU A 16 -1.379 -4.773 10.021 1.00 0.64 H new ATOM 0 HG2 GLU A 16 -2.058 -7.126 9.484 1.00 0.83 H new ATOM 0 HG3 GLU A 16 -1.842 -6.774 7.781 1.00 0.83 H new ATOM 261 N SER A 17 -3.556 -2.384 8.315 1.00 0.49 N ATOM 262 CA SER A 17 -3.705 -0.961 8.419 1.00 0.58 C ATOM 263 C SER A 17 -5.093 -0.575 8.961 1.00 0.66 C ATOM 264 O SER A 17 -5.203 0.178 9.928 1.00 0.98 O ATOM 265 CB SER A 17 -3.493 -0.361 7.036 1.00 0.62 C ATOM 266 OG SER A 17 -3.520 1.045 7.055 1.00 1.38 O ATOM 0 H SER A 17 -3.540 -2.720 7.352 1.00 0.49 H new ATOM 0 HA SER A 17 -2.968 -0.573 9.122 1.00 0.58 H new ATOM 0 HB2 SER A 17 -2.536 -0.699 6.639 1.00 0.62 H new ATOM 0 HB3 SER A 17 -4.266 -0.728 6.361 1.00 0.62 H new ATOM 0 HG SER A 17 -3.969 1.374 6.249 1.00 1.38 H new ATOM 272 N ALA A 18 -6.141 -1.115 8.360 1.00 0.65 N ATOM 273 CA ALA A 18 -7.501 -0.726 8.723 1.00 0.88 C ATOM 274 C ALA A 18 -8.100 -1.660 9.760 1.00 0.85 C ATOM 275 O ALA A 18 -8.908 -1.255 10.594 1.00 1.04 O ATOM 276 CB ALA A 18 -8.381 -0.676 7.483 1.00 1.13 C ATOM 0 H ALA A 18 -6.081 -1.819 7.624 1.00 0.65 H new ATOM 0 HA ALA A 18 -7.452 0.267 9.169 1.00 0.88 H new ATOM 0 HB1 ALA A 18 -9.393 -0.385 7.766 1.00 1.13 H new ATOM 0 HB2 ALA A 18 -7.977 0.052 6.780 1.00 1.13 H new ATOM 0 HB3 ALA A 18 -8.404 -1.659 7.014 1.00 1.13 H new ATOM 282 N GLY A 19 -7.717 -2.899 9.702 1.00 0.79 N ATOM 283 CA GLY A 19 -8.241 -3.881 10.600 1.00 0.97 C ATOM 284 C GLY A 19 -9.370 -4.637 9.955 1.00 1.18 C ATOM 285 O GLY A 19 -9.238 -5.822 9.624 1.00 1.57 O ATOM 0 H GLY A 19 -7.035 -3.257 9.033 1.00 0.79 H new ATOM 0 HA2 GLY A 19 -7.452 -4.574 10.891 1.00 0.97 H new ATOM 0 HA3 GLY A 19 -8.593 -3.398 11.511 1.00 0.97 H new ATOM 289 N GLU A 20 -10.467 -3.966 9.742 1.00 1.43 N ATOM 290 CA GLU A 20 -11.614 -4.590 9.145 1.00 1.75 C ATOM 291 C GLU A 20 -11.623 -4.433 7.632 1.00 1.79 C ATOM 292 O GLU A 20 -12.176 -3.479 7.100 1.00 2.30 O ATOM 293 CB GLU A 20 -12.946 -4.106 9.757 1.00 2.40 C ATOM 294 CG GLU A 20 -13.281 -4.655 11.151 1.00 3.14 C ATOM 295 CD GLU A 20 -12.300 -4.271 12.230 1.00 3.62 C ATOM 296 OE1 GLU A 20 -12.371 -3.136 12.734 1.00 4.15 O ATOM 297 OE2 GLU A 20 -11.462 -5.106 12.616 1.00 3.97 O ATOM 0 H GLU A 20 -10.591 -2.981 9.975 1.00 1.43 H new ATOM 0 HA GLU A 20 -11.527 -5.652 9.373 1.00 1.75 H new ATOM 0 HB2 GLU A 20 -12.924 -3.018 9.812 1.00 2.40 H new ATOM 0 HB3 GLU A 20 -13.755 -4.375 9.078 1.00 2.40 H new ATOM 0 HG2 GLU A 20 -14.272 -4.303 11.437 1.00 3.14 H new ATOM 0 HG3 GLU A 20 -13.333 -5.742 11.096 1.00 3.14 H new ATOM 304 N THR A 21 -10.936 -5.321 6.968 1.00 1.91 N ATOM 305 CA THR A 21 -10.972 -5.410 5.527 1.00 2.43 C ATOM 306 C THR A 21 -11.563 -6.796 5.218 1.00 2.45 C ATOM 307 O THR A 21 -10.957 -7.645 4.557 1.00 3.06 O ATOM 308 CB THR A 21 -9.543 -5.282 4.929 1.00 3.22 C ATOM 309 OG1 THR A 21 -8.851 -4.180 5.562 1.00 3.77 O ATOM 310 CG2 THR A 21 -9.611 -5.010 3.428 1.00 3.83 C ATOM 0 H THR A 21 -10.329 -6.011 7.411 1.00 1.91 H new ATOM 0 HA THR A 21 -11.566 -4.607 5.090 1.00 2.43 H new ATOM 0 HB THR A 21 -9.013 -6.218 5.105 1.00 3.22 H new ATOM 0 HG1 THR A 21 -8.528 -3.559 4.876 1.00 3.77 H new ATOM 0 HG21 THR A 21 -8.601 -4.924 3.028 1.00 3.83 H new ATOM 0 HG22 THR A 21 -10.129 -5.831 2.932 1.00 3.83 H new ATOM 0 HG23 THR A 21 -10.152 -4.081 3.251 1.00 3.83 H new ATOM 318 N ASP A 22 -12.755 -7.008 5.724 1.00 2.17 N ATOM 319 CA ASP A 22 -13.377 -8.325 5.722 1.00 2.48 C ATOM 320 C ASP A 22 -14.521 -8.425 4.716 1.00 2.10 C ATOM 321 O ASP A 22 -14.755 -9.471 4.135 1.00 2.55 O ATOM 322 CB ASP A 22 -13.868 -8.649 7.132 1.00 3.04 C ATOM 323 CG ASP A 22 -14.467 -10.023 7.256 1.00 3.67 C ATOM 324 OD1 ASP A 22 -13.725 -10.984 7.487 1.00 4.25 O ATOM 325 OD2 ASP A 22 -15.702 -10.172 7.079 1.00 3.96 O ATOM 0 H ASP A 22 -13.326 -6.278 6.150 1.00 2.17 H new ATOM 0 HA ASP A 22 -12.628 -9.054 5.413 1.00 2.48 H new ATOM 0 HB2 ASP A 22 -13.034 -8.560 7.828 1.00 3.04 H new ATOM 0 HB3 ASP A 22 -14.611 -7.909 7.429 1.00 3.04 H new ATOM 330 N GLY A 23 -15.184 -7.329 4.475 1.00 1.96 N ATOM 331 CA GLY A 23 -16.288 -7.304 3.551 1.00 2.00 C ATOM 332 C GLY A 23 -15.861 -6.584 2.317 1.00 1.94 C ATOM 333 O GLY A 23 -16.573 -5.741 1.774 1.00 2.20 O ATOM 0 H GLY A 23 -14.977 -6.430 4.910 1.00 1.96 H new ATOM 0 HA2 GLY A 23 -16.600 -8.320 3.307 1.00 2.00 H new ATOM 0 HA3 GLY A 23 -17.147 -6.806 4.001 1.00 2.00 H new ATOM 337 N THR A 24 -14.674 -6.881 1.915 1.00 1.83 N ATOM 338 CA THR A 24 -14.036 -6.276 0.806 1.00 1.80 C ATOM 339 C THR A 24 -13.070 -7.280 0.231 1.00 1.84 C ATOM 340 O THR A 24 -12.023 -7.541 0.820 1.00 1.90 O ATOM 341 CB THR A 24 -13.270 -5.010 1.268 1.00 1.83 C ATOM 342 OG1 THR A 24 -14.208 -4.058 1.820 1.00 1.96 O ATOM 343 CG2 THR A 24 -12.510 -4.364 0.111 1.00 1.85 C ATOM 0 H THR A 24 -14.098 -7.586 2.375 1.00 1.83 H new ATOM 0 HA THR A 24 -14.769 -5.979 0.056 1.00 1.80 H new ATOM 0 HB THR A 24 -12.545 -5.307 2.025 1.00 1.83 H new ATOM 0 HG1 THR A 24 -13.726 -3.257 2.114 1.00 1.96 H new ATOM 0 HG21 THR A 24 -11.984 -3.479 0.470 1.00 1.85 H new ATOM 0 HG22 THR A 24 -11.790 -5.075 -0.293 1.00 1.85 H new ATOM 0 HG23 THR A 24 -13.213 -4.076 -0.671 1.00 1.85 H new ATOM 351 N ASP A 25 -13.510 -7.951 -0.812 1.00 1.96 N ATOM 352 CA ASP A 25 -12.668 -8.902 -1.558 1.00 2.09 C ATOM 353 C ASP A 25 -11.409 -8.220 -2.026 1.00 1.62 C ATOM 354 O ASP A 25 -11.405 -7.494 -3.030 1.00 1.86 O ATOM 355 CB ASP A 25 -13.372 -9.509 -2.782 1.00 2.69 C ATOM 356 CG ASP A 25 -14.516 -10.420 -2.459 1.00 3.10 C ATOM 357 OD1 ASP A 25 -14.288 -11.598 -2.134 1.00 3.40 O ATOM 358 OD2 ASP A 25 -15.683 -9.992 -2.581 1.00 3.55 O ATOM 0 H ASP A 25 -14.458 -7.863 -1.178 1.00 1.96 H new ATOM 0 HA ASP A 25 -12.444 -9.713 -0.865 1.00 2.09 H new ATOM 0 HB2 ASP A 25 -13.738 -8.699 -3.413 1.00 2.69 H new ATOM 0 HB3 ASP A 25 -12.639 -10.063 -3.368 1.00 2.69 H new ATOM 363 N LEU A 26 -10.371 -8.421 -1.290 1.00 1.28 N ATOM 364 CA LEU A 26 -9.108 -7.821 -1.558 1.00 0.95 C ATOM 365 C LEU A 26 -8.187 -8.887 -2.141 1.00 1.02 C ATOM 366 O LEU A 26 -7.187 -8.590 -2.782 1.00 1.36 O ATOM 367 CB LEU A 26 -8.544 -7.268 -0.244 1.00 1.16 C ATOM 368 CG LEU A 26 -7.380 -6.297 -0.356 1.00 0.73 C ATOM 369 CD1 LEU A 26 -7.816 -5.050 -1.100 1.00 0.86 C ATOM 370 CD2 LEU A 26 -6.861 -5.936 1.023 1.00 1.05 C ATOM 0 H LEU A 26 -10.376 -9.021 -0.465 1.00 1.28 H new ATOM 0 HA LEU A 26 -9.199 -7.003 -2.272 1.00 0.95 H new ATOM 0 HB2 LEU A 26 -9.353 -6.770 0.290 1.00 1.16 H new ATOM 0 HB3 LEU A 26 -8.227 -8.110 0.371 1.00 1.16 H new ATOM 0 HG LEU A 26 -6.574 -6.775 -0.913 1.00 0.73 H new ATOM 0 HD11 LEU A 26 -6.976 -4.359 -1.176 1.00 0.86 H new ATOM 0 HD12 LEU A 26 -8.153 -5.322 -2.100 1.00 0.86 H new ATOM 0 HD13 LEU A 26 -8.632 -4.571 -0.560 1.00 0.86 H new ATOM 0 HD21 LEU A 26 -6.028 -5.240 0.927 1.00 1.05 H new ATOM 0 HD22 LEU A 26 -7.659 -5.470 1.601 1.00 1.05 H new ATOM 0 HD23 LEU A 26 -6.523 -6.839 1.532 1.00 1.05 H new ATOM 382 N SER A 27 -8.547 -10.129 -1.909 1.00 1.03 N ATOM 383 CA SER A 27 -7.804 -11.257 -2.401 1.00 1.23 C ATOM 384 C SER A 27 -7.989 -11.397 -3.913 1.00 1.39 C ATOM 385 O SER A 27 -9.080 -11.730 -4.400 1.00 2.16 O ATOM 386 CB SER A 27 -8.250 -12.517 -1.669 1.00 1.77 C ATOM 387 OG SER A 27 -8.127 -12.345 -0.252 1.00 2.39 O ATOM 0 H SER A 27 -9.373 -10.382 -1.367 1.00 1.03 H new ATOM 0 HA SER A 27 -6.741 -11.104 -2.212 1.00 1.23 H new ATOM 0 HB2 SER A 27 -9.284 -12.746 -1.925 1.00 1.77 H new ATOM 0 HB3 SER A 27 -7.646 -13.365 -1.992 1.00 1.77 H new ATOM 0 HG SER A 27 -8.419 -13.162 0.203 1.00 2.39 H new ATOM 393 N GLY A 28 -6.944 -11.103 -4.636 1.00 1.32 N ATOM 394 CA GLY A 28 -6.980 -11.161 -6.057 1.00 1.62 C ATOM 395 C GLY A 28 -6.205 -10.015 -6.642 1.00 1.42 C ATOM 396 O GLY A 28 -5.149 -9.635 -6.110 1.00 1.77 O ATOM 0 H GLY A 28 -6.045 -10.817 -4.248 1.00 1.32 H new ATOM 0 HA2 GLY A 28 -6.560 -12.106 -6.401 1.00 1.62 H new ATOM 0 HA3 GLY A 28 -8.013 -11.126 -6.404 1.00 1.62 H new ATOM 400 N ASP A 29 -6.726 -9.429 -7.674 1.00 1.39 N ATOM 401 CA ASP A 29 -6.059 -8.336 -8.338 1.00 1.21 C ATOM 402 C ASP A 29 -6.728 -7.036 -8.047 1.00 0.96 C ATOM 403 O ASP A 29 -7.560 -6.547 -8.811 1.00 1.17 O ATOM 404 CB ASP A 29 -5.900 -8.552 -9.846 1.00 1.44 C ATOM 405 CG ASP A 29 -4.707 -9.403 -10.201 1.00 1.84 C ATOM 406 OD1 ASP A 29 -4.760 -10.640 -10.062 1.00 2.28 O ATOM 407 OD2 ASP A 29 -3.689 -8.845 -10.639 1.00 2.30 O ATOM 0 H ASP A 29 -7.623 -9.688 -8.085 1.00 1.39 H new ATOM 0 HA ASP A 29 -5.050 -8.303 -7.927 1.00 1.21 H new ATOM 0 HB2 ASP A 29 -6.803 -9.022 -10.236 1.00 1.44 H new ATOM 0 HB3 ASP A 29 -5.807 -7.584 -10.338 1.00 1.44 H new ATOM 412 N PHE A 30 -6.400 -6.496 -6.907 1.00 0.73 N ATOM 413 CA PHE A 30 -6.939 -5.225 -6.481 1.00 0.56 C ATOM 414 C PHE A 30 -6.012 -4.108 -6.924 1.00 0.46 C ATOM 415 O PHE A 30 -6.316 -2.952 -6.789 1.00 0.43 O ATOM 416 CB PHE A 30 -7.128 -5.194 -4.948 1.00 0.53 C ATOM 417 CG PHE A 30 -5.849 -5.287 -4.133 1.00 0.55 C ATOM 418 CD1 PHE A 30 -5.232 -6.505 -3.908 1.00 0.74 C ATOM 419 CD2 PHE A 30 -5.279 -4.149 -3.586 1.00 0.55 C ATOM 420 CE1 PHE A 30 -4.075 -6.584 -3.160 1.00 0.89 C ATOM 421 CE2 PHE A 30 -4.120 -4.225 -2.838 1.00 0.68 C ATOM 422 CZ PHE A 30 -3.520 -5.444 -2.625 1.00 0.83 C ATOM 0 H PHE A 30 -5.752 -6.920 -6.243 1.00 0.73 H new ATOM 0 HA PHE A 30 -7.917 -5.085 -6.941 1.00 0.56 H new ATOM 0 HB2 PHE A 30 -7.643 -4.271 -4.681 1.00 0.53 H new ATOM 0 HB3 PHE A 30 -7.782 -6.018 -4.663 1.00 0.53 H new ATOM 0 HD1 PHE A 30 -5.661 -7.405 -4.323 1.00 0.74 H new ATOM 0 HD2 PHE A 30 -5.747 -3.189 -3.747 1.00 0.55 H new ATOM 0 HE1 PHE A 30 -3.604 -7.542 -2.994 1.00 0.89 H new ATOM 0 HE2 PHE A 30 -3.686 -3.328 -2.421 1.00 0.68 H new ATOM 0 HZ PHE A 30 -2.615 -5.507 -2.039 1.00 0.83 H new ATOM 432 N LEU A 31 -4.894 -4.489 -7.503 1.00 0.49 N ATOM 433 CA LEU A 31 -3.858 -3.554 -7.914 1.00 0.49 C ATOM 434 C LEU A 31 -4.328 -2.626 -9.036 1.00 0.49 C ATOM 435 O LEU A 31 -3.800 -1.531 -9.206 1.00 0.58 O ATOM 436 CB LEU A 31 -2.629 -4.317 -8.391 1.00 0.59 C ATOM 437 CG LEU A 31 -1.953 -5.261 -7.403 1.00 0.86 C ATOM 438 CD1 LEU A 31 -0.777 -5.933 -8.079 1.00 1.08 C ATOM 439 CD2 LEU A 31 -1.488 -4.518 -6.159 1.00 1.85 C ATOM 0 H LEU A 31 -4.672 -5.464 -7.705 1.00 0.49 H new ATOM 0 HA LEU A 31 -3.616 -2.943 -7.045 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.914 -4.898 -9.268 1.00 0.59 H new ATOM 0 HB3 LEU A 31 -1.888 -3.588 -8.719 1.00 0.59 H new ATOM 0 HG LEU A 31 -2.677 -6.013 -7.089 1.00 0.86 H new ATOM 0 HD11 LEU A 31 -0.291 -6.609 -7.376 1.00 1.08 H new ATOM 0 HD12 LEU A 31 -1.128 -6.498 -8.942 1.00 1.08 H new ATOM 0 HD13 LEU A 31 -0.064 -5.176 -8.406 1.00 1.08 H new ATOM 0 HD21 LEU A 31 -1.010 -5.219 -5.474 1.00 1.85 H new ATOM 0 HD22 LEU A 31 -0.775 -3.744 -6.443 1.00 1.85 H new ATOM 0 HD23 LEU A 31 -2.346 -4.058 -5.668 1.00 1.85 H new ATOM 451 N ASP A 32 -5.339 -3.060 -9.748 1.00 0.49 N ATOM 452 CA ASP A 32 -5.834 -2.381 -10.944 1.00 0.67 C ATOM 453 C ASP A 32 -7.094 -1.564 -10.679 1.00 0.57 C ATOM 454 O ASP A 32 -7.823 -1.214 -11.616 1.00 0.74 O ATOM 455 CB ASP A 32 -6.123 -3.419 -12.037 1.00 0.94 C ATOM 456 CG ASP A 32 -4.879 -4.053 -12.626 1.00 1.76 C ATOM 457 OD1 ASP A 32 -4.105 -4.683 -11.898 1.00 2.55 O ATOM 458 OD2 ASP A 32 -4.664 -3.950 -13.857 1.00 2.27 O ATOM 0 H ASP A 32 -5.857 -3.908 -9.518 1.00 0.49 H new ATOM 0 HA ASP A 32 -5.058 -1.686 -11.265 1.00 0.67 H new ATOM 0 HB2 ASP A 32 -6.756 -4.203 -11.622 1.00 0.94 H new ATOM 0 HB3 ASP A 32 -6.689 -2.942 -12.837 1.00 0.94 H new ATOM 463 N LEU A 33 -7.353 -1.245 -9.436 1.00 0.51 N ATOM 464 CA LEU A 33 -8.529 -0.460 -9.099 1.00 0.60 C ATOM 465 C LEU A 33 -8.174 0.746 -8.258 1.00 0.50 C ATOM 466 O LEU A 33 -7.107 0.796 -7.674 1.00 0.60 O ATOM 467 CB LEU A 33 -9.635 -1.339 -8.430 1.00 0.85 C ATOM 468 CG LEU A 33 -9.262 -2.227 -7.206 1.00 0.69 C ATOM 469 CD1 LEU A 33 -8.960 -1.419 -5.954 1.00 1.35 C ATOM 470 CD2 LEU A 33 -10.357 -3.241 -6.924 1.00 1.12 C ATOM 0 H LEU A 33 -6.774 -1.512 -8.640 1.00 0.51 H new ATOM 0 HA LEU A 33 -8.946 -0.082 -10.032 1.00 0.60 H new ATOM 0 HB2 LEU A 33 -10.440 -0.673 -8.119 1.00 0.85 H new ATOM 0 HB3 LEU A 33 -10.043 -1.995 -9.199 1.00 0.85 H new ATOM 0 HG LEU A 33 -8.344 -2.750 -7.475 1.00 0.69 H new ATOM 0 HD11 LEU A 33 -8.707 -2.095 -5.137 1.00 1.35 H new ATOM 0 HD12 LEU A 33 -8.120 -0.751 -6.146 1.00 1.35 H new ATOM 0 HD13 LEU A 33 -9.836 -0.831 -5.680 1.00 1.35 H new ATOM 0 HD21 LEU A 33 -10.076 -3.851 -6.065 1.00 1.12 H new ATOM 0 HD22 LEU A 33 -11.289 -2.719 -6.709 1.00 1.12 H new ATOM 0 HD23 LEU A 33 -10.493 -3.882 -7.795 1.00 1.12 H new ATOM 482 N ARG A 34 -9.040 1.730 -8.247 1.00 0.50 N ATOM 483 CA ARG A 34 -8.894 2.866 -7.354 1.00 0.51 C ATOM 484 C ARG A 34 -9.203 2.393 -5.953 1.00 0.47 C ATOM 485 O ARG A 34 -10.041 1.523 -5.775 1.00 0.58 O ATOM 486 CB ARG A 34 -9.883 3.971 -7.738 1.00 0.67 C ATOM 487 CG ARG A 34 -9.528 4.749 -8.991 1.00 0.85 C ATOM 488 CD ARG A 34 -8.442 5.779 -8.719 1.00 0.93 C ATOM 489 NE ARG A 34 -8.898 6.829 -7.777 1.00 1.72 N ATOM 490 CZ ARG A 34 -8.187 7.924 -7.409 1.00 2.04 C ATOM 491 NH1 ARG A 34 -7.029 8.202 -7.976 1.00 1.66 N ATOM 492 NH2 ARG A 34 -8.671 8.749 -6.493 1.00 3.07 N ATOM 0 H ARG A 34 -9.862 1.771 -8.850 1.00 0.50 H new ATOM 0 HA ARG A 34 -7.882 3.264 -7.420 1.00 0.51 H new ATOM 0 HB2 ARG A 34 -10.868 3.524 -7.874 1.00 0.67 H new ATOM 0 HB3 ARG A 34 -9.963 4.670 -6.906 1.00 0.67 H new ATOM 0 HG2 ARG A 34 -9.191 4.060 -9.765 1.00 0.85 H new ATOM 0 HG3 ARG A 34 -10.417 5.249 -9.374 1.00 0.85 H new ATOM 0 HD2 ARG A 34 -7.564 5.280 -8.309 1.00 0.93 H new ATOM 0 HD3 ARG A 34 -8.137 6.241 -9.658 1.00 0.93 H new ATOM 0 HE ARG A 34 -9.827 6.718 -7.370 1.00 1.72 H new ATOM 0 HH11 ARG A 34 -6.657 7.590 -8.702 1.00 1.66 H new ATOM 0 HH12 ARG A 34 -6.506 9.029 -7.689 1.00 1.66 H new ATOM 0 HH21 ARG A 34 -9.578 8.561 -6.065 1.00 3.07 H new ATOM 0 HH22 ARG A 34 -8.137 9.573 -6.215 1.00 3.07 H new ATOM 506 N PHE A 35 -8.564 2.965 -4.965 1.00 0.42 N ATOM 507 CA PHE A 35 -8.791 2.575 -3.571 1.00 0.42 C ATOM 508 C PHE A 35 -10.224 2.864 -3.139 1.00 0.53 C ATOM 509 O PHE A 35 -10.741 2.259 -2.198 1.00 0.61 O ATOM 510 CB PHE A 35 -7.800 3.253 -2.648 1.00 0.41 C ATOM 511 CG PHE A 35 -6.389 2.842 -2.907 1.00 0.39 C ATOM 512 CD1 PHE A 35 -5.910 1.631 -2.445 1.00 0.43 C ATOM 513 CD2 PHE A 35 -5.544 3.664 -3.628 1.00 0.44 C ATOM 514 CE1 PHE A 35 -4.614 1.248 -2.697 1.00 0.51 C ATOM 515 CE2 PHE A 35 -4.248 3.282 -3.886 1.00 0.51 C ATOM 516 CZ PHE A 35 -3.767 2.085 -3.358 1.00 0.53 C ATOM 0 H PHE A 35 -7.876 3.708 -5.087 1.00 0.42 H new ATOM 0 HA PHE A 35 -8.635 1.498 -3.501 1.00 0.42 H new ATOM 0 HB2 PHE A 35 -7.885 4.334 -2.763 1.00 0.41 H new ATOM 0 HB3 PHE A 35 -8.057 3.021 -1.614 1.00 0.41 H new ATOM 0 HD1 PHE A 35 -6.560 0.979 -1.880 1.00 0.43 H new ATOM 0 HD2 PHE A 35 -5.904 4.615 -3.992 1.00 0.44 H new ATOM 0 HE1 PHE A 35 -4.266 0.279 -2.369 1.00 0.51 H new ATOM 0 HE2 PHE A 35 -3.608 3.905 -4.493 1.00 0.51 H new ATOM 0 HZ PHE A 35 -2.726 1.822 -3.473 1.00 0.53 H new ATOM 526 N GLU A 36 -10.850 3.776 -3.845 1.00 0.64 N ATOM 527 CA GLU A 36 -12.248 4.106 -3.673 1.00 0.83 C ATOM 528 C GLU A 36 -13.110 2.850 -3.916 1.00 0.92 C ATOM 529 O GLU A 36 -14.107 2.630 -3.244 1.00 1.05 O ATOM 530 CB GLU A 36 -12.601 5.192 -4.669 1.00 1.00 C ATOM 531 CG GLU A 36 -13.947 5.850 -4.476 1.00 1.56 C ATOM 532 CD GLU A 36 -14.172 6.916 -5.507 1.00 2.05 C ATOM 533 OE1 GLU A 36 -13.316 7.787 -5.689 1.00 2.77 O ATOM 534 OE2 GLU A 36 -15.228 6.907 -6.158 1.00 2.39 O ATOM 0 H GLU A 36 -10.391 4.323 -4.573 1.00 0.64 H new ATOM 0 HA GLU A 36 -12.438 4.459 -2.659 1.00 0.83 H new ATOM 0 HB2 GLU A 36 -11.831 5.963 -4.625 1.00 1.00 H new ATOM 0 HB3 GLU A 36 -12.567 4.764 -5.671 1.00 1.00 H new ATOM 0 HG2 GLU A 36 -14.736 5.101 -4.543 1.00 1.56 H new ATOM 0 HG3 GLU A 36 -14.004 6.285 -3.478 1.00 1.56 H new ATOM 541 N ASP A 37 -12.652 1.991 -4.829 1.00 0.92 N ATOM 542 CA ASP A 37 -13.332 0.725 -5.171 1.00 1.07 C ATOM 543 C ASP A 37 -13.320 -0.248 -4.007 1.00 1.02 C ATOM 544 O ASP A 37 -14.143 -1.155 -3.935 1.00 1.20 O ATOM 545 CB ASP A 37 -12.682 0.041 -6.389 1.00 1.17 C ATOM 546 CG ASP A 37 -13.130 0.574 -7.728 1.00 1.39 C ATOM 547 OD1 ASP A 37 -12.809 1.724 -8.092 1.00 1.64 O ATOM 548 OD2 ASP A 37 -13.827 -0.164 -8.451 1.00 1.99 O ATOM 0 H ASP A 37 -11.795 2.149 -5.359 1.00 0.92 H new ATOM 0 HA ASP A 37 -14.362 0.989 -5.412 1.00 1.07 H new ATOM 0 HB2 ASP A 37 -11.600 0.149 -6.314 1.00 1.17 H new ATOM 0 HB3 ASP A 37 -12.899 -1.026 -6.347 1.00 1.17 H new ATOM 553 N ILE A 38 -12.377 -0.074 -3.103 1.00 0.85 N ATOM 554 CA ILE A 38 -12.275 -0.945 -1.942 1.00 0.88 C ATOM 555 C ILE A 38 -12.573 -0.192 -0.656 1.00 0.84 C ATOM 556 O ILE A 38 -12.291 -0.664 0.444 1.00 0.91 O ATOM 557 CB ILE A 38 -10.915 -1.688 -1.853 1.00 0.85 C ATOM 558 CG1 ILE A 38 -9.736 -0.696 -1.884 1.00 0.66 C ATOM 559 CG2 ILE A 38 -10.813 -2.703 -2.978 1.00 0.97 C ATOM 560 CD1 ILE A 38 -8.365 -1.335 -1.765 1.00 0.68 C ATOM 0 H ILE A 38 -11.670 0.660 -3.147 1.00 0.85 H new ATOM 0 HA ILE A 38 -13.037 -1.714 -2.074 1.00 0.88 H new ATOM 0 HB ILE A 38 -10.864 -2.216 -0.901 1.00 0.85 H new ATOM 0 HG12 ILE A 38 -9.779 -0.131 -2.815 1.00 0.66 H new ATOM 0 HG13 ILE A 38 -9.860 0.020 -1.071 1.00 0.66 H new ATOM 0 HG21 ILE A 38 -9.857 -3.223 -2.913 1.00 0.97 H new ATOM 0 HG22 ILE A 38 -11.625 -3.425 -2.892 1.00 0.97 H new ATOM 0 HG23 ILE A 38 -10.883 -2.191 -3.938 1.00 0.97 H new ATOM 0 HD11 ILE A 38 -7.599 -0.561 -1.796 1.00 0.68 H new ATOM 0 HD12 ILE A 38 -8.296 -1.876 -0.821 1.00 0.68 H new ATOM 0 HD13 ILE A 38 -8.214 -2.029 -2.592 1.00 0.68 H new ATOM 572 N GLY A 39 -13.205 0.957 -0.816 1.00 0.81 N ATOM 573 CA GLY A 39 -13.630 1.777 0.314 1.00 0.82 C ATOM 574 C GLY A 39 -12.482 2.321 1.153 1.00 0.71 C ATOM 575 O GLY A 39 -12.620 2.492 2.360 1.00 0.82 O ATOM 0 H GLY A 39 -13.439 1.350 -1.727 1.00 0.81 H new ATOM 0 HA2 GLY A 39 -14.221 2.613 -0.060 1.00 0.82 H new ATOM 0 HA3 GLY A 39 -14.284 1.185 0.953 1.00 0.82 H new ATOM 579 N TYR A 40 -11.363 2.577 0.534 1.00 0.56 N ATOM 580 CA TYR A 40 -10.212 3.124 1.227 1.00 0.48 C ATOM 581 C TYR A 40 -10.055 4.593 0.940 1.00 0.43 C ATOM 582 O TYR A 40 -10.600 5.109 -0.042 1.00 0.50 O ATOM 583 CB TYR A 40 -8.926 2.383 0.852 1.00 0.51 C ATOM 584 CG TYR A 40 -8.620 1.167 1.691 1.00 0.52 C ATOM 585 CD1 TYR A 40 -9.445 0.053 1.694 1.00 0.67 C ATOM 586 CD2 TYR A 40 -7.489 1.144 2.484 1.00 0.60 C ATOM 587 CE1 TYR A 40 -9.150 -1.052 2.467 1.00 0.83 C ATOM 588 CE2 TYR A 40 -7.177 0.054 3.256 1.00 0.79 C ATOM 589 CZ TYR A 40 -8.013 -1.052 3.243 1.00 0.88 C ATOM 590 OH TYR A 40 -7.711 -2.159 4.009 1.00 1.13 O ATOM 0 H TYR A 40 -11.215 2.416 -0.462 1.00 0.56 H new ATOM 0 HA TYR A 40 -10.388 2.990 2.294 1.00 0.48 H new ATOM 0 HB2 TYR A 40 -8.993 2.077 -0.192 1.00 0.51 H new ATOM 0 HB3 TYR A 40 -8.089 3.078 0.928 1.00 0.51 H new ATOM 0 HD1 TYR A 40 -10.334 0.050 1.081 1.00 0.67 H new ATOM 0 HD2 TYR A 40 -6.836 2.004 2.496 1.00 0.60 H new ATOM 0 HE1 TYR A 40 -9.806 -1.910 2.463 1.00 0.83 H new ATOM 0 HE2 TYR A 40 -6.288 0.057 3.869 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.801 -2.074 4.363 1.00 1.13 H new ATOM 600 N ASP A 41 -9.316 5.255 1.795 1.00 0.49 N ATOM 601 CA ASP A 41 -9.012 6.663 1.645 1.00 0.54 C ATOM 602 C ASP A 41 -7.552 6.898 1.995 1.00 0.52 C ATOM 603 O ASP A 41 -6.835 5.942 2.301 1.00 0.88 O ATOM 604 CB ASP A 41 -9.945 7.562 2.483 1.00 0.71 C ATOM 605 CG ASP A 41 -9.830 7.375 3.976 1.00 1.05 C ATOM 606 OD1 ASP A 41 -8.905 7.954 4.587 1.00 1.48 O ATOM 607 OD2 ASP A 41 -10.626 6.615 4.557 1.00 1.35 O ATOM 0 H ASP A 41 -8.902 4.830 2.625 1.00 0.49 H new ATOM 0 HA ASP A 41 -9.185 6.941 0.606 1.00 0.54 H new ATOM 0 HB2 ASP A 41 -9.733 8.604 2.244 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -10.976 7.370 2.185 1.00 0.71 H new ATOM 612 N SER A 42 -7.151 8.153 2.034 1.00 0.39 N ATOM 613 CA SER A 42 -5.764 8.569 2.138 1.00 0.48 C ATOM 614 C SER A 42 -5.118 8.091 3.436 1.00 0.42 C ATOM 615 O SER A 42 -4.071 7.444 3.432 1.00 0.43 O ATOM 616 CB SER A 42 -5.743 10.081 2.078 1.00 0.71 C ATOM 617 OG SER A 42 -6.655 10.582 3.110 1.00 0.98 O ATOM 0 H SER A 42 -7.802 8.938 1.993 1.00 0.39 H new ATOM 0 HA SER A 42 -5.192 8.128 1.322 1.00 0.48 H new ATOM 0 HB2 SER A 42 -4.733 10.456 2.245 1.00 0.71 H new ATOM 0 HB3 SER A 42 -6.053 10.429 1.093 1.00 0.71 H new ATOM 622 N LEU A 43 -5.779 8.384 4.525 1.00 0.46 N ATOM 623 CA LEU A 43 -5.298 8.085 5.855 1.00 0.52 C ATOM 624 C LEU A 43 -5.195 6.582 6.079 1.00 0.45 C ATOM 625 O LEU A 43 -4.286 6.092 6.766 1.00 0.53 O ATOM 626 CB LEU A 43 -6.225 8.729 6.872 1.00 0.66 C ATOM 627 CG LEU A 43 -6.308 10.261 6.838 1.00 0.83 C ATOM 628 CD1 LEU A 43 -7.319 10.761 7.855 1.00 1.02 C ATOM 629 CD2 LEU A 43 -4.941 10.880 7.100 1.00 0.97 C ATOM 0 H LEU A 43 -6.688 8.848 4.515 1.00 0.46 H new ATOM 0 HA LEU A 43 -4.294 8.493 5.974 1.00 0.52 H new ATOM 0 HB2 LEU A 43 -7.228 8.328 6.724 1.00 0.66 H new ATOM 0 HB3 LEU A 43 -5.904 8.425 7.869 1.00 0.66 H new ATOM 0 HG LEU A 43 -6.637 10.563 5.844 1.00 0.83 H new ATOM 0 HD11 LEU A 43 -7.365 11.849 7.817 1.00 1.02 H new ATOM 0 HD12 LEU A 43 -8.301 10.348 7.625 1.00 1.02 H new ATOM 0 HD13 LEU A 43 -7.017 10.445 8.854 1.00 1.02 H new ATOM 0 HD21 LEU A 43 -5.022 11.967 7.071 1.00 0.97 H new ATOM 0 HD22 LEU A 43 -4.583 10.568 8.081 1.00 0.97 H new ATOM 0 HD23 LEU A 43 -4.239 10.548 6.335 1.00 0.97 H new ATOM 641 N ALA A 44 -6.097 5.847 5.465 1.00 0.40 N ATOM 642 CA ALA A 44 -6.095 4.403 5.558 1.00 0.39 C ATOM 643 C ALA A 44 -4.900 3.831 4.802 1.00 0.34 C ATOM 644 O ALA A 44 -4.346 2.815 5.187 1.00 0.38 O ATOM 645 CB ALA A 44 -7.399 3.833 5.019 1.00 0.43 C ATOM 0 H ALA A 44 -6.848 6.230 4.891 1.00 0.40 H new ATOM 0 HA ALA A 44 -6.009 4.118 6.607 1.00 0.39 H new ATOM 0 HB1 ALA A 44 -7.380 2.746 5.096 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -8.235 4.224 5.600 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -7.517 4.120 3.974 1.00 0.43 H new ATOM 651 N LEU A 45 -4.508 4.514 3.745 1.00 0.31 N ATOM 652 CA LEU A 45 -3.367 4.126 2.922 1.00 0.30 C ATOM 653 C LEU A 45 -2.054 4.486 3.598 1.00 0.29 C ATOM 654 O LEU A 45 -1.080 3.730 3.543 1.00 0.30 O ATOM 655 CB LEU A 45 -3.440 4.834 1.576 1.00 0.32 C ATOM 656 CG LEU A 45 -4.616 4.459 0.710 1.00 0.33 C ATOM 657 CD1 LEU A 45 -4.669 5.343 -0.520 1.00 0.34 C ATOM 658 CD2 LEU A 45 -4.492 3.019 0.315 1.00 0.36 C ATOM 0 H LEU A 45 -4.974 5.363 3.425 1.00 0.31 H new ATOM 0 HA LEU A 45 -3.405 3.046 2.783 1.00 0.30 H new ATOM 0 HB2 LEU A 45 -3.468 5.909 1.752 1.00 0.32 H new ATOM 0 HB3 LEU A 45 -2.523 4.625 1.025 1.00 0.32 H new ATOM 0 HG LEU A 45 -5.540 4.603 1.269 1.00 0.33 H new ATOM 0 HD11 LEU A 45 -5.523 5.060 -1.135 1.00 0.34 H new ATOM 0 HD12 LEU A 45 -4.770 6.385 -0.215 1.00 0.34 H new ATOM 0 HD13 LEU A 45 -3.751 5.221 -1.095 1.00 0.34 H new ATOM 0 HD21 LEU A 45 -5.339 2.739 -0.312 1.00 0.36 H new ATOM 0 HD22 LEU A 45 -3.566 2.873 -0.240 1.00 0.36 H new ATOM 0 HD23 LEU A 45 -4.481 2.396 1.209 1.00 0.36 H new ATOM 670 N MET A 46 -2.035 5.643 4.238 1.00 0.30 N ATOM 671 CA MET A 46 -0.844 6.147 4.928 1.00 0.31 C ATOM 672 C MET A 46 -0.407 5.199 6.024 1.00 0.33 C ATOM 673 O MET A 46 0.784 4.957 6.216 1.00 0.37 O ATOM 674 CB MET A 46 -1.093 7.553 5.493 1.00 0.37 C ATOM 675 CG MET A 46 -1.317 8.610 4.423 1.00 0.40 C ATOM 676 SD MET A 46 -1.770 10.221 5.091 1.00 0.54 S ATOM 677 CE MET A 46 -1.971 11.157 3.571 1.00 1.67 C ATOM 0 H MET A 46 -2.841 6.265 4.298 1.00 0.30 H new ATOM 0 HA MET A 46 -0.038 6.211 4.198 1.00 0.31 H new ATOM 0 HB2 MET A 46 -1.963 7.523 6.149 1.00 0.37 H new ATOM 0 HB3 MET A 46 -0.241 7.845 6.107 1.00 0.37 H new ATOM 0 HG2 MET A 46 -0.409 8.714 3.830 1.00 0.40 H new ATOM 0 HG3 MET A 46 -2.102 8.271 3.747 1.00 0.40 H new ATOM 0 HE1 MET A 46 -1.379 12.070 3.625 1.00 1.67 H new ATOM 0 HE2 MET A 46 -1.635 10.556 2.726 1.00 1.67 H new ATOM 0 HE3 MET A 46 -3.022 11.414 3.438 1.00 1.67 H new ATOM 687 N GLU A 47 -1.371 4.611 6.692 1.00 0.36 N ATOM 688 CA GLU A 47 -1.087 3.689 7.762 1.00 0.42 C ATOM 689 C GLU A 47 -0.595 2.335 7.191 1.00 0.43 C ATOM 690 O GLU A 47 0.162 1.610 7.839 1.00 0.52 O ATOM 691 CB GLU A 47 -2.324 3.530 8.649 1.00 0.45 C ATOM 692 CG GLU A 47 -2.058 2.853 9.978 1.00 0.62 C ATOM 693 CD GLU A 47 -1.004 3.579 10.792 1.00 1.07 C ATOM 694 OE1 GLU A 47 -0.973 4.834 10.780 1.00 1.29 O ATOM 695 OE2 GLU A 47 -0.187 2.908 11.452 1.00 1.97 O ATOM 0 H GLU A 47 -2.364 4.757 6.511 1.00 0.36 H new ATOM 0 HA GLU A 47 -0.283 4.084 8.383 1.00 0.42 H new ATOM 0 HB2 GLU A 47 -2.751 4.515 8.836 1.00 0.45 H new ATOM 0 HB3 GLU A 47 -3.074 2.955 8.106 1.00 0.45 H new ATOM 0 HG2 GLU A 47 -2.985 2.803 10.550 1.00 0.62 H new ATOM 0 HG3 GLU A 47 -1.736 1.827 9.803 1.00 0.62 H new ATOM 702 N THR A 48 -0.991 2.034 5.954 1.00 0.39 N ATOM 703 CA THR A 48 -0.545 0.827 5.270 1.00 0.44 C ATOM 704 C THR A 48 0.935 0.972 4.986 1.00 0.45 C ATOM 705 O THR A 48 1.729 0.037 5.201 1.00 0.56 O ATOM 706 CB THR A 48 -1.302 0.663 3.939 1.00 0.44 C ATOM 707 OG1 THR A 48 -2.704 0.683 4.191 1.00 0.49 O ATOM 708 CG2 THR A 48 -0.928 -0.642 3.246 1.00 0.53 C ATOM 0 H THR A 48 -1.624 2.616 5.405 1.00 0.39 H new ATOM 0 HA THR A 48 -0.737 -0.047 5.893 1.00 0.44 H new ATOM 0 HB THR A 48 -1.025 1.487 3.282 1.00 0.44 H new ATOM 0 HG1 THR A 48 -2.979 1.590 4.439 1.00 0.49 H new ATOM 0 HG21 THR A 48 -1.479 -0.728 2.310 1.00 0.53 H new ATOM 0 HG22 THR A 48 0.142 -0.650 3.039 1.00 0.53 H new ATOM 0 HG23 THR A 48 -1.179 -1.482 3.893 1.00 0.53 H new ATOM 716 N ALA A 49 1.294 2.158 4.508 1.00 0.37 N ATOM 717 CA ALA A 49 2.663 2.501 4.250 1.00 0.38 C ATOM 718 C ALA A 49 3.468 2.367 5.532 1.00 0.43 C ATOM 719 O ALA A 49 4.479 1.691 5.545 1.00 0.45 O ATOM 720 CB ALA A 49 2.760 3.911 3.691 1.00 0.36 C ATOM 0 H ALA A 49 0.631 2.903 4.292 1.00 0.37 H new ATOM 0 HA ALA A 49 3.073 1.819 3.505 1.00 0.38 H new ATOM 0 HB1 ALA A 49 3.805 4.156 3.501 1.00 0.36 H new ATOM 0 HB2 ALA A 49 2.197 3.973 2.759 1.00 0.36 H new ATOM 0 HB3 ALA A 49 2.347 4.617 4.411 1.00 0.36 H new ATOM 726 N ALA A 50 2.952 2.961 6.614 1.00 0.47 N ATOM 727 CA ALA A 50 3.586 2.921 7.940 1.00 0.57 C ATOM 728 C ALA A 50 3.833 1.482 8.418 1.00 0.62 C ATOM 729 O ALA A 50 4.899 1.164 8.984 1.00 0.68 O ATOM 730 CB ALA A 50 2.727 3.669 8.943 1.00 0.65 C ATOM 0 H ALA A 50 2.078 3.486 6.596 1.00 0.47 H new ATOM 0 HA ALA A 50 4.559 3.406 7.858 1.00 0.57 H new ATOM 0 HB1 ALA A 50 3.201 3.636 9.924 1.00 0.65 H new ATOM 0 HB2 ALA A 50 2.618 4.706 8.627 1.00 0.65 H new ATOM 0 HB3 ALA A 50 1.744 3.202 9.000 1.00 0.65 H new ATOM 736 N ARG A 51 2.856 0.626 8.192 1.00 0.65 N ATOM 737 CA ARG A 51 2.950 -0.783 8.529 1.00 0.76 C ATOM 738 C ARG A 51 4.121 -1.437 7.775 1.00 0.64 C ATOM 739 O ARG A 51 5.044 -2.005 8.384 1.00 0.62 O ATOM 740 CB ARG A 51 1.615 -1.481 8.202 1.00 0.95 C ATOM 741 CG ARG A 51 1.603 -2.976 8.443 1.00 1.23 C ATOM 742 CD ARG A 51 1.972 -3.306 9.868 1.00 0.90 C ATOM 743 NE ARG A 51 1.984 -4.749 10.108 1.00 1.76 N ATOM 744 CZ ARG A 51 2.510 -5.340 11.182 1.00 2.17 C ATOM 745 NH1 ARG A 51 3.213 -4.632 12.066 1.00 2.08 N ATOM 746 NH2 ARG A 51 2.347 -6.641 11.358 1.00 3.21 N ATOM 0 H ARG A 51 1.967 0.890 7.766 1.00 0.65 H new ATOM 0 HA ARG A 51 3.144 -0.889 9.596 1.00 0.76 H new ATOM 0 HB2 ARG A 51 0.827 -1.025 8.801 1.00 0.95 H new ATOM 0 HB3 ARG A 51 1.370 -1.294 7.156 1.00 0.95 H new ATOM 0 HG2 ARG A 51 0.613 -3.374 8.220 1.00 1.23 H new ATOM 0 HG3 ARG A 51 2.302 -3.462 7.762 1.00 1.23 H new ATOM 0 HD2 ARG A 51 2.955 -2.892 10.094 1.00 0.90 H new ATOM 0 HD3 ARG A 51 1.263 -2.831 10.546 1.00 0.90 H new ATOM 0 HE ARG A 51 1.558 -5.348 9.401 1.00 1.76 H new ATOM 0 HH11 ARG A 51 3.352 -3.632 11.924 1.00 2.08 H new ATOM 0 HH12 ARG A 51 3.612 -5.091 12.885 1.00 2.08 H new ATOM 0 HH21 ARG A 51 1.822 -7.186 10.675 1.00 3.21 H new ATOM 0 HH22 ARG A 51 2.747 -7.099 12.177 1.00 3.21 H new ATOM 760 N LEU A 52 4.094 -1.322 6.466 1.00 0.60 N ATOM 761 CA LEU A 52 5.151 -1.869 5.622 1.00 0.55 C ATOM 762 C LEU A 52 6.518 -1.230 5.875 1.00 0.46 C ATOM 763 O LEU A 52 7.552 -1.896 5.693 1.00 0.45 O ATOM 764 CB LEU A 52 4.755 -1.839 4.149 1.00 0.61 C ATOM 765 CG LEU A 52 3.658 -2.837 3.776 1.00 0.76 C ATOM 766 CD1 LEU A 52 3.183 -2.635 2.359 1.00 0.87 C ATOM 767 CD2 LEU A 52 4.160 -4.263 3.957 1.00 0.93 C ATOM 0 H LEU A 52 3.348 -0.852 5.953 1.00 0.60 H new ATOM 0 HA LEU A 52 5.268 -2.914 5.907 1.00 0.55 H new ATOM 0 HB2 LEU A 52 4.418 -0.834 3.895 1.00 0.61 H new ATOM 0 HB3 LEU A 52 5.638 -2.042 3.543 1.00 0.61 H new ATOM 0 HG LEU A 52 2.813 -2.664 4.442 1.00 0.76 H new ATOM 0 HD11 LEU A 52 2.404 -3.362 2.129 1.00 0.87 H new ATOM 0 HD12 LEU A 52 2.783 -1.627 2.250 1.00 0.87 H new ATOM 0 HD13 LEU A 52 4.019 -2.770 1.672 1.00 0.87 H new ATOM 0 HD21 LEU A 52 3.370 -4.964 3.688 1.00 0.93 H new ATOM 0 HD22 LEU A 52 5.025 -4.428 3.315 1.00 0.93 H new ATOM 0 HD23 LEU A 52 4.445 -4.419 4.997 1.00 0.93 H new ATOM 779 N GLU A 53 6.528 0.043 6.302 1.00 0.45 N ATOM 780 CA GLU A 53 7.764 0.721 6.695 1.00 0.44 C ATOM 781 C GLU A 53 8.451 -0.068 7.766 1.00 0.46 C ATOM 782 O GLU A 53 9.587 -0.493 7.606 1.00 0.50 O ATOM 783 CB GLU A 53 7.516 2.116 7.259 1.00 0.52 C ATOM 784 CG GLU A 53 7.027 3.153 6.293 1.00 0.44 C ATOM 785 CD GLU A 53 6.987 4.499 6.949 1.00 0.45 C ATOM 786 OE1 GLU A 53 7.972 5.232 6.907 1.00 0.45 O ATOM 787 OE2 GLU A 53 5.925 4.859 7.496 1.00 0.57 O ATOM 0 H GLU A 53 5.691 0.620 6.382 1.00 0.45 H new ATOM 0 HA GLU A 53 8.370 0.804 5.793 1.00 0.44 H new ATOM 0 HB2 GLU A 53 6.789 2.033 8.067 1.00 0.52 H new ATOM 0 HB3 GLU A 53 8.445 2.474 7.702 1.00 0.52 H new ATOM 0 HG2 GLU A 53 7.681 3.185 5.422 1.00 0.44 H new ATOM 0 HG3 GLU A 53 6.033 2.886 5.935 1.00 0.44 H new ATOM 794 N SER A 54 7.721 -0.295 8.828 1.00 0.49 N ATOM 795 CA SER A 54 8.213 -0.981 9.987 1.00 0.56 C ATOM 796 C SER A 54 8.617 -2.427 9.652 1.00 0.55 C ATOM 797 O SER A 54 9.666 -2.910 10.100 1.00 0.67 O ATOM 798 CB SER A 54 7.134 -0.939 11.061 1.00 0.67 C ATOM 799 OG SER A 54 6.702 0.410 11.271 1.00 1.36 O ATOM 0 H SER A 54 6.748 -0.000 8.909 1.00 0.49 H new ATOM 0 HA SER A 54 9.113 -0.486 10.353 1.00 0.56 H new ATOM 0 HB2 SER A 54 6.288 -1.558 10.762 1.00 0.67 H new ATOM 0 HB3 SER A 54 7.520 -1.355 11.992 1.00 0.67 H new ATOM 0 HG SER A 54 6.004 0.635 10.621 1.00 1.36 H new ATOM 805 N ARG A 55 7.808 -3.086 8.831 1.00 0.52 N ATOM 806 CA ARG A 55 8.057 -4.468 8.442 1.00 0.57 C ATOM 807 C ARG A 55 9.343 -4.634 7.615 1.00 0.54 C ATOM 808 O ARG A 55 10.183 -5.465 7.938 1.00 0.65 O ATOM 809 CB ARG A 55 6.844 -5.069 7.697 1.00 0.67 C ATOM 810 CG ARG A 55 7.104 -6.462 7.124 1.00 0.77 C ATOM 811 CD ARG A 55 5.880 -7.048 6.441 1.00 0.96 C ATOM 812 NE ARG A 55 6.226 -8.259 5.674 1.00 1.60 N ATOM 813 CZ ARG A 55 5.355 -9.124 5.142 1.00 2.10 C ATOM 814 NH1 ARG A 55 4.070 -9.100 5.479 1.00 1.89 N ATOM 815 NH2 ARG A 55 5.792 -10.072 4.334 1.00 3.10 N ATOM 0 H ARG A 55 6.967 -2.681 8.419 1.00 0.52 H new ATOM 0 HA ARG A 55 8.204 -5.023 9.368 1.00 0.57 H new ATOM 0 HB2 ARG A 55 5.997 -5.119 8.381 1.00 0.67 H new ATOM 0 HB3 ARG A 55 6.559 -4.399 6.886 1.00 0.67 H new ATOM 0 HG2 ARG A 55 7.925 -6.410 6.409 1.00 0.77 H new ATOM 0 HG3 ARG A 55 7.422 -7.128 7.926 1.00 0.77 H new ATOM 0 HD2 ARG A 55 5.125 -7.291 7.188 1.00 0.96 H new ATOM 0 HD3 ARG A 55 5.442 -6.305 5.775 1.00 0.96 H new ATOM 0 HE ARG A 55 7.218 -8.455 5.537 1.00 1.60 H new ATOM 0 HH11 ARG A 55 3.733 -8.414 6.154 1.00 1.89 H new ATOM 0 HH12 ARG A 55 3.421 -9.768 5.063 1.00 1.89 H new ATOM 0 HH21 ARG A 55 6.787 -10.141 4.120 1.00 3.10 H new ATOM 0 HH22 ARG A 55 5.135 -10.736 3.924 1.00 3.10 H new ATOM 829 N TYR A 56 9.504 -3.846 6.573 1.00 0.50 N ATOM 830 CA TYR A 56 10.660 -4.012 5.684 1.00 0.57 C ATOM 831 C TYR A 56 11.859 -3.162 6.079 1.00 0.59 C ATOM 832 O TYR A 56 12.992 -3.488 5.730 1.00 0.73 O ATOM 833 CB TYR A 56 10.282 -3.765 4.220 1.00 0.65 C ATOM 834 CG TYR A 56 9.413 -4.853 3.614 1.00 0.72 C ATOM 835 CD1 TYR A 56 8.039 -4.866 3.831 1.00 0.76 C ATOM 836 CD2 TYR A 56 9.956 -5.857 2.834 1.00 0.89 C ATOM 837 CE1 TYR A 56 7.238 -5.849 3.285 1.00 0.91 C ATOM 838 CE2 TYR A 56 9.161 -6.840 2.284 1.00 1.03 C ATOM 839 CZ TYR A 56 7.839 -6.852 2.499 1.00 1.03 C ATOM 840 OH TYR A 56 7.023 -7.819 1.967 1.00 1.21 O ATOM 0 H TYR A 56 8.867 -3.093 6.314 1.00 0.50 H new ATOM 0 HA TYR A 56 10.968 -5.052 5.797 1.00 0.57 H new ATOM 0 HB2 TYR A 56 9.757 -2.812 4.147 1.00 0.65 H new ATOM 0 HB3 TYR A 56 11.194 -3.673 3.631 1.00 0.65 H new ATOM 0 HD1 TYR A 56 7.591 -4.093 4.438 1.00 0.76 H new ATOM 0 HD2 TYR A 56 11.021 -5.872 2.653 1.00 0.89 H new ATOM 0 HE1 TYR A 56 6.172 -5.849 3.457 1.00 0.91 H new ATOM 0 HE2 TYR A 56 9.609 -7.609 1.673 1.00 1.03 H new ATOM 0 HH TYR A 56 7.561 -8.450 1.445 1.00 1.21 H new ATOM 850 N GLY A 57 11.622 -2.099 6.802 1.00 0.52 N ATOM 851 CA GLY A 57 12.702 -1.219 7.185 1.00 0.56 C ATOM 852 C GLY A 57 12.817 -0.048 6.233 1.00 0.54 C ATOM 853 O GLY A 57 13.904 0.492 6.014 1.00 0.68 O ATOM 0 H GLY A 57 10.700 -1.820 7.137 1.00 0.52 H new ATOM 0 HA2 GLY A 57 12.534 -0.853 8.198 1.00 0.56 H new ATOM 0 HA3 GLY A 57 13.640 -1.774 7.198 1.00 0.56 H new ATOM 857 N VAL A 58 11.698 0.335 5.665 1.00 0.47 N ATOM 858 CA VAL A 58 11.641 1.427 4.714 1.00 0.44 C ATOM 859 C VAL A 58 11.031 2.657 5.349 1.00 0.42 C ATOM 860 O VAL A 58 10.617 2.613 6.514 1.00 0.44 O ATOM 861 CB VAL A 58 10.892 1.071 3.387 1.00 0.46 C ATOM 862 CG1 VAL A 58 11.615 -0.023 2.641 1.00 0.55 C ATOM 863 CG2 VAL A 58 9.447 0.664 3.642 1.00 0.43 C ATOM 0 H VAL A 58 10.795 -0.103 5.849 1.00 0.47 H new ATOM 0 HA VAL A 58 12.674 1.633 4.434 1.00 0.44 H new ATOM 0 HB VAL A 58 10.881 1.972 2.773 1.00 0.46 H new ATOM 0 HG11 VAL A 58 11.076 -0.254 1.722 1.00 0.55 H new ATOM 0 HG12 VAL A 58 12.624 0.309 2.397 1.00 0.55 H new ATOM 0 HG13 VAL A 58 11.668 -0.915 3.265 1.00 0.55 H new ATOM 0 HG21 VAL A 58 8.964 0.425 2.695 1.00 0.43 H new ATOM 0 HG22 VAL A 58 9.425 -0.211 4.291 1.00 0.43 H new ATOM 0 HG23 VAL A 58 8.917 1.486 4.123 1.00 0.43 H new ATOM 873 N SER A 59 10.980 3.734 4.619 1.00 0.43 N ATOM 874 CA SER A 59 10.397 4.933 5.109 1.00 0.48 C ATOM 875 C SER A 59 9.616 5.586 3.993 1.00 0.43 C ATOM 876 O SER A 59 10.174 5.991 2.978 1.00 0.49 O ATOM 877 CB SER A 59 11.455 5.882 5.683 1.00 0.65 C ATOM 878 OG SER A 59 10.840 6.998 6.327 1.00 1.28 O ATOM 0 H SER A 59 11.344 3.798 3.668 1.00 0.43 H new ATOM 0 HA SER A 59 9.721 4.693 5.930 1.00 0.48 H new ATOM 0 HB2 SER A 59 12.083 5.346 6.395 1.00 0.65 H new ATOM 0 HB3 SER A 59 12.108 6.232 4.883 1.00 0.65 H new ATOM 0 HG SER A 59 11.533 7.590 6.688 1.00 1.28 H new ATOM 884 N ILE A 60 8.341 5.638 4.168 1.00 0.39 N ATOM 885 CA ILE A 60 7.445 6.193 3.195 1.00 0.38 C ATOM 886 C ILE A 60 6.747 7.405 3.785 1.00 0.41 C ATOM 887 O ILE A 60 6.042 7.284 4.799 1.00 0.45 O ATOM 888 CB ILE A 60 6.377 5.153 2.765 1.00 0.37 C ATOM 889 CG1 ILE A 60 7.056 3.890 2.215 1.00 0.45 C ATOM 890 CG2 ILE A 60 5.424 5.755 1.724 1.00 0.38 C ATOM 891 CD1 ILE A 60 6.104 2.763 1.897 1.00 0.82 C ATOM 0 H ILE A 60 7.876 5.291 5.006 1.00 0.39 H new ATOM 0 HA ILE A 60 8.026 6.480 2.319 1.00 0.38 H new ATOM 0 HB ILE A 60 5.790 4.876 3.641 1.00 0.37 H new ATOM 0 HG12 ILE A 60 7.606 4.151 1.311 1.00 0.45 H new ATOM 0 HG13 ILE A 60 7.787 3.538 2.943 1.00 0.45 H new ATOM 0 HG21 ILE A 60 4.683 5.010 1.435 1.00 0.38 H new ATOM 0 HG22 ILE A 60 4.920 6.622 2.151 1.00 0.38 H new ATOM 0 HG23 ILE A 60 5.992 6.061 0.845 1.00 0.38 H new ATOM 0 HD11 ILE A 60 6.665 1.910 1.514 1.00 0.82 H new ATOM 0 HD12 ILE A 60 5.571 2.470 2.802 1.00 0.82 H new ATOM 0 HD13 ILE A 60 5.388 3.093 1.145 1.00 0.82 H new ATOM 903 N PRO A 61 6.978 8.596 3.216 1.00 0.48 N ATOM 904 CA PRO A 61 6.280 9.804 3.633 1.00 0.55 C ATOM 905 C PRO A 61 4.787 9.625 3.430 1.00 0.49 C ATOM 906 O PRO A 61 4.349 9.185 2.353 1.00 0.43 O ATOM 907 CB PRO A 61 6.816 10.884 2.685 1.00 0.66 C ATOM 908 CG PRO A 61 8.112 10.350 2.202 1.00 0.70 C ATOM 909 CD PRO A 61 7.942 8.862 2.137 1.00 0.58 C ATOM 0 HA PRO A 61 6.437 10.050 4.683 1.00 0.55 H new ATOM 0 HB2 PRO A 61 6.128 11.062 1.858 1.00 0.66 H new ATOM 0 HB3 PRO A 61 6.947 11.835 3.201 1.00 0.66 H new ATOM 0 HG2 PRO A 61 8.362 10.758 1.223 1.00 0.70 H new ATOM 0 HG3 PRO A 61 8.923 10.622 2.878 1.00 0.70 H new ATOM 0 HD2 PRO A 61 7.562 8.540 1.167 1.00 0.58 H new ATOM 0 HD3 PRO A 61 8.885 8.340 2.299 1.00 0.58 H new ATOM 917 N ASP A 62 4.019 9.940 4.451 1.00 0.57 N ATOM 918 CA ASP A 62 2.560 9.765 4.439 1.00 0.56 C ATOM 919 C ASP A 62 1.913 10.457 3.242 1.00 0.48 C ATOM 920 O ASP A 62 0.961 9.937 2.667 1.00 0.46 O ATOM 921 CB ASP A 62 1.916 10.245 5.754 1.00 0.71 C ATOM 922 CG ASP A 62 2.044 11.730 5.984 1.00 1.23 C ATOM 923 OD1 ASP A 62 3.098 12.189 6.450 1.00 1.52 O ATOM 924 OD2 ASP A 62 1.081 12.482 5.687 1.00 1.98 O ATOM 0 H ASP A 62 4.379 10.328 5.323 1.00 0.57 H new ATOM 0 HA ASP A 62 2.377 8.695 4.345 1.00 0.56 H new ATOM 0 HB2 ASP A 62 0.860 9.976 5.750 1.00 0.71 H new ATOM 0 HB3 ASP A 62 2.376 9.716 6.588 1.00 0.71 H new ATOM 929 N ASP A 63 2.485 11.587 2.823 1.00 0.52 N ATOM 930 CA ASP A 63 1.982 12.356 1.666 1.00 0.56 C ATOM 931 C ASP A 63 1.912 11.505 0.403 1.00 0.50 C ATOM 932 O ASP A 63 0.987 11.635 -0.392 1.00 0.60 O ATOM 933 CB ASP A 63 2.871 13.578 1.398 1.00 0.71 C ATOM 934 CG ASP A 63 2.473 14.344 0.138 1.00 1.56 C ATOM 935 OD1 ASP A 63 1.593 15.222 0.214 1.00 2.31 O ATOM 936 OD2 ASP A 63 3.056 14.092 -0.951 1.00 2.20 O ATOM 0 H ASP A 63 3.305 11.999 3.268 1.00 0.52 H new ATOM 0 HA ASP A 63 0.973 12.682 1.920 1.00 0.56 H new ATOM 0 HB2 ASP A 63 2.823 14.250 2.255 1.00 0.71 H new ATOM 0 HB3 ASP A 63 3.907 13.253 1.306 1.00 0.71 H new ATOM 941 N VAL A 64 2.851 10.584 0.266 1.00 0.46 N ATOM 942 CA VAL A 64 2.962 9.754 -0.928 1.00 0.48 C ATOM 943 C VAL A 64 1.757 8.805 -1.058 1.00 0.42 C ATOM 944 O VAL A 64 1.376 8.400 -2.161 1.00 0.46 O ATOM 945 CB VAL A 64 4.281 8.938 -0.924 1.00 0.54 C ATOM 946 CG1 VAL A 64 4.460 8.165 -2.225 1.00 0.64 C ATOM 947 CG2 VAL A 64 5.478 9.842 -0.687 1.00 0.63 C ATOM 0 H VAL A 64 3.557 10.389 0.975 1.00 0.46 H new ATOM 0 HA VAL A 64 2.972 10.423 -1.788 1.00 0.48 H new ATOM 0 HB VAL A 64 4.216 8.221 -0.106 1.00 0.54 H new ATOM 0 HG11 VAL A 64 5.394 7.604 -2.189 1.00 0.64 H new ATOM 0 HG12 VAL A 64 3.627 7.475 -2.356 1.00 0.64 H new ATOM 0 HG13 VAL A 64 4.488 8.863 -3.062 1.00 0.64 H new ATOM 0 HG21 VAL A 64 6.390 9.246 -0.689 1.00 0.63 H new ATOM 0 HG22 VAL A 64 5.532 10.590 -1.478 1.00 0.63 H new ATOM 0 HG23 VAL A 64 5.372 10.341 0.277 1.00 0.63 H new ATOM 957 N ALA A 65 1.106 8.534 0.052 1.00 0.45 N ATOM 958 CA ALA A 65 -0.039 7.655 0.051 1.00 0.46 C ATOM 959 C ALA A 65 -1.301 8.415 -0.352 1.00 0.44 C ATOM 960 O ALA A 65 -2.380 7.851 -0.428 1.00 0.51 O ATOM 961 CB ALA A 65 -0.195 6.973 1.390 1.00 0.56 C ATOM 0 H ALA A 65 1.352 8.911 0.967 1.00 0.45 H new ATOM 0 HA ALA A 65 0.124 6.874 -0.692 1.00 0.46 H new ATOM 0 HB1 ALA A 65 -1.064 6.316 1.365 1.00 0.56 H new ATOM 0 HB2 ALA A 65 0.698 6.386 1.605 1.00 0.56 H new ATOM 0 HB3 ALA A 65 -0.331 7.725 2.168 1.00 0.56 H new ATOM 967 N GLY A 66 -1.147 9.706 -0.589 1.00 0.48 N ATOM 968 CA GLY A 66 -2.230 10.495 -1.117 1.00 0.57 C ATOM 969 C GLY A 66 -2.129 10.555 -2.628 1.00 0.58 C ATOM 970 O GLY A 66 -3.082 10.891 -3.322 1.00 0.91 O ATOM 0 H GLY A 66 -0.283 10.223 -0.423 1.00 0.48 H new ATOM 0 HA2 GLY A 66 -3.186 10.061 -0.824 1.00 0.57 H new ATOM 0 HA3 GLY A 66 -2.196 11.502 -0.700 1.00 0.57 H new ATOM 974 N ARG A 67 -0.956 10.196 -3.130 1.00 0.43 N ATOM 975 CA ARG A 67 -0.674 10.186 -4.559 1.00 0.48 C ATOM 976 C ARG A 67 -1.233 8.933 -5.220 1.00 0.45 C ATOM 977 O ARG A 67 -1.853 9.018 -6.281 1.00 0.63 O ATOM 978 CB ARG A 67 0.852 10.255 -4.794 1.00 0.59 C ATOM 979 CG ARG A 67 1.294 9.951 -6.228 1.00 1.35 C ATOM 980 CD ARG A 67 2.808 9.915 -6.347 1.00 1.46 C ATOM 981 NE ARG A 67 3.266 9.383 -7.649 1.00 2.35 N ATOM 982 CZ ARG A 67 4.556 9.123 -7.960 1.00 2.83 C ATOM 983 NH1 ARG A 67 5.531 9.496 -7.122 1.00 2.42 N ATOM 984 NH2 ARG A 67 4.865 8.514 -9.113 1.00 3.92 N ATOM 0 H ARG A 67 -0.168 9.901 -2.554 1.00 0.43 H new ATOM 0 HA ARG A 67 -1.156 11.056 -5.005 1.00 0.48 H new ATOM 0 HB2 ARG A 67 1.203 11.251 -4.524 1.00 0.59 H new ATOM 0 HB3 ARG A 67 1.342 9.551 -4.121 1.00 0.59 H new ATOM 0 HG2 ARG A 67 0.880 8.993 -6.542 1.00 1.35 H new ATOM 0 HG3 ARG A 67 0.893 10.708 -6.902 1.00 1.35 H new ATOM 0 HD2 ARG A 67 3.203 10.922 -6.211 1.00 1.46 H new ATOM 0 HD3 ARG A 67 3.217 9.301 -5.544 1.00 1.46 H new ATOM 0 HE ARG A 67 2.560 9.200 -8.362 1.00 2.35 H new ATOM 0 HH11 ARG A 67 5.300 9.975 -6.252 1.00 2.42 H new ATOM 0 HH12 ARG A 67 6.505 9.301 -7.354 1.00 2.42 H new ATOM 0 HH21 ARG A 67 4.125 8.244 -9.761 1.00 3.92 H new ATOM 0 HH22 ARG A 67 5.840 8.320 -9.342 1.00 3.92 H new ATOM 998 N VAL A 68 -1.048 7.796 -4.549 1.00 0.39 N ATOM 999 CA VAL A 68 -1.347 6.474 -5.100 1.00 0.38 C ATOM 1000 C VAL A 68 -2.771 6.324 -5.661 1.00 0.43 C ATOM 1001 O VAL A 68 -3.766 6.293 -4.938 1.00 0.48 O ATOM 1002 CB VAL A 68 -0.993 5.338 -4.100 1.00 0.34 C ATOM 1003 CG1 VAL A 68 0.513 5.280 -3.909 1.00 0.37 C ATOM 1004 CG2 VAL A 68 -1.670 5.537 -2.753 1.00 0.36 C ATOM 0 H VAL A 68 -0.682 7.767 -3.597 1.00 0.39 H new ATOM 0 HA VAL A 68 -0.694 6.375 -5.967 1.00 0.38 H new ATOM 0 HB VAL A 68 -1.356 4.400 -4.519 1.00 0.34 H new ATOM 0 HG11 VAL A 68 0.760 4.483 -3.208 1.00 0.37 H new ATOM 0 HG12 VAL A 68 0.994 5.082 -4.867 1.00 0.37 H new ATOM 0 HG13 VAL A 68 0.867 6.233 -3.515 1.00 0.37 H new ATOM 0 HG21 VAL A 68 -1.396 4.721 -2.084 1.00 0.36 H new ATOM 0 HG22 VAL A 68 -1.348 6.484 -2.321 1.00 0.36 H new ATOM 0 HG23 VAL A 68 -2.752 5.548 -2.888 1.00 0.36 H new ATOM 1014 N ASP A 69 -2.829 6.315 -6.977 1.00 0.51 N ATOM 1015 CA ASP A 69 -4.068 6.146 -7.739 1.00 0.65 C ATOM 1016 C ASP A 69 -4.580 4.738 -7.575 1.00 0.52 C ATOM 1017 O ASP A 69 -5.747 4.505 -7.240 1.00 0.58 O ATOM 1018 CB ASP A 69 -3.787 6.413 -9.227 1.00 0.86 C ATOM 1019 CG ASP A 69 -4.988 6.244 -10.143 1.00 1.39 C ATOM 1020 OD1 ASP A 69 -5.957 6.980 -10.004 1.00 1.44 O ATOM 1021 OD2 ASP A 69 -4.944 5.391 -11.052 1.00 2.20 O ATOM 0 H ASP A 69 -2.004 6.427 -7.567 1.00 0.51 H new ATOM 0 HA ASP A 69 -4.817 6.847 -7.371 1.00 0.65 H new ATOM 0 HB2 ASP A 69 -3.406 7.429 -9.334 1.00 0.86 H new ATOM 0 HB3 ASP A 69 -2.997 5.740 -9.559 1.00 0.86 H new ATOM 1026 N THR A 70 -3.691 3.804 -7.785 1.00 0.42 N ATOM 1027 CA THR A 70 -4.006 2.411 -7.727 1.00 0.34 C ATOM 1028 C THR A 70 -2.994 1.707 -6.837 1.00 0.30 C ATOM 1029 O THR A 70 -1.893 2.240 -6.600 1.00 0.33 O ATOM 1030 CB THR A 70 -3.930 1.793 -9.139 1.00 0.40 C ATOM 1031 OG1 THR A 70 -2.625 2.046 -9.704 1.00 0.51 O ATOM 1032 CG2 THR A 70 -4.998 2.374 -10.044 1.00 0.48 C ATOM 0 H THR A 70 -2.714 3.998 -8.004 1.00 0.42 H new ATOM 0 HA THR A 70 -5.013 2.291 -7.328 1.00 0.34 H new ATOM 0 HB THR A 70 -4.098 0.719 -9.057 1.00 0.40 H new ATOM 0 HG1 THR A 70 -2.575 1.653 -10.600 1.00 0.51 H new ATOM 0 HG21 THR A 70 -4.922 1.922 -11.033 1.00 0.48 H new ATOM 0 HG22 THR A 70 -5.982 2.167 -9.624 1.00 0.48 H new ATOM 0 HG23 THR A 70 -4.858 3.452 -10.126 1.00 0.48 H new ATOM 1040 N PRO A 71 -3.328 0.520 -6.306 1.00 0.31 N ATOM 1041 CA PRO A 71 -2.408 -0.263 -5.516 1.00 0.33 C ATOM 1042 C PRO A 71 -1.173 -0.679 -6.300 1.00 0.32 C ATOM 1043 O PRO A 71 -0.172 -0.985 -5.699 1.00 0.34 O ATOM 1044 CB PRO A 71 -3.219 -1.473 -5.076 1.00 0.38 C ATOM 1045 CG PRO A 71 -4.621 -1.021 -5.186 1.00 0.40 C ATOM 1046 CD PRO A 71 -4.645 -0.109 -6.362 1.00 0.35 C ATOM 0 HA PRO A 71 -2.018 0.310 -4.674 1.00 0.33 H new ATOM 0 HB2 PRO A 71 -3.026 -2.336 -5.713 1.00 0.38 H new ATOM 0 HB3 PRO A 71 -2.974 -1.769 -4.056 1.00 0.38 H new ATOM 0 HG2 PRO A 71 -5.297 -1.864 -5.328 1.00 0.40 H new ATOM 0 HG3 PRO A 71 -4.941 -0.505 -4.281 1.00 0.40 H new ATOM 0 HD2 PRO A 71 -4.794 -0.654 -7.294 1.00 0.35 H new ATOM 0 HD3 PRO A 71 -5.448 0.625 -6.289 1.00 0.35 H new ATOM 1054 N ARG A 72 -1.230 -0.674 -7.653 1.00 0.34 N ATOM 1055 CA ARG A 72 -0.018 -0.942 -8.442 1.00 0.39 C ATOM 1056 C ARG A 72 0.996 0.136 -8.199 1.00 0.32 C ATOM 1057 O ARG A 72 2.169 -0.136 -8.100 1.00 0.31 O ATOM 1058 CB ARG A 72 -0.248 -1.041 -9.953 1.00 0.52 C ATOM 1059 CG ARG A 72 -0.952 -2.279 -10.424 1.00 0.93 C ATOM 1060 CD ARG A 72 -0.848 -2.398 -11.922 1.00 1.15 C ATOM 1061 NE ARG A 72 -1.594 -3.538 -12.454 1.00 1.31 N ATOM 1062 CZ ARG A 72 -1.147 -4.366 -13.396 1.00 1.78 C ATOM 1063 NH1 ARG A 72 0.153 -4.489 -13.624 1.00 2.53 N ATOM 1064 NH2 ARG A 72 -2.002 -5.136 -14.033 1.00 1.99 N ATOM 0 H ARG A 72 -2.072 -0.494 -8.199 1.00 0.34 H new ATOM 0 HA ARG A 72 0.330 -1.919 -8.106 1.00 0.39 H new ATOM 0 HB2 ARG A 72 -0.826 -0.173 -10.272 1.00 0.52 H new ATOM 0 HB3 ARG A 72 0.718 -0.982 -10.454 1.00 0.52 H new ATOM 0 HG2 ARG A 72 -0.514 -3.158 -9.951 1.00 0.93 H new ATOM 0 HG3 ARG A 72 -2.000 -2.246 -10.126 1.00 0.93 H new ATOM 0 HD2 ARG A 72 -1.218 -1.481 -12.381 1.00 1.15 H new ATOM 0 HD3 ARG A 72 0.201 -2.494 -12.202 1.00 1.15 H new ATOM 0 HE ARG A 72 -2.525 -3.711 -12.076 1.00 1.31 H new ATOM 0 HH11 ARG A 72 0.821 -3.947 -13.076 1.00 2.53 H new ATOM 0 HH12 ARG A 72 0.486 -5.126 -14.348 1.00 2.53 H new ATOM 0 HH21 ARG A 72 -2.995 -5.095 -13.803 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -1.672 -5.775 -14.757 1.00 1.99 H new ATOM 1078 N GLU A 73 0.522 1.354 -8.070 1.00 0.31 N ATOM 1079 CA GLU A 73 1.374 2.499 -7.840 1.00 0.32 C ATOM 1080 C GLU A 73 1.951 2.449 -6.422 1.00 0.26 C ATOM 1081 O GLU A 73 3.118 2.798 -6.192 1.00 0.30 O ATOM 1082 CB GLU A 73 0.570 3.773 -8.104 1.00 0.45 C ATOM 1083 CG GLU A 73 1.333 5.067 -7.967 1.00 0.53 C ATOM 1084 CD GLU A 73 0.615 6.196 -8.649 1.00 1.09 C ATOM 1085 OE1 GLU A 73 -0.357 6.746 -8.046 1.00 1.51 O ATOM 1086 OE2 GLU A 73 0.987 6.569 -9.767 1.00 1.86 O ATOM 0 H GLU A 73 -0.471 1.580 -8.122 1.00 0.31 H new ATOM 0 HA GLU A 73 2.223 2.489 -8.523 1.00 0.32 H new ATOM 0 HB2 GLU A 73 0.160 3.719 -9.112 1.00 0.45 H new ATOM 0 HB3 GLU A 73 -0.275 3.796 -7.416 1.00 0.45 H new ATOM 0 HG2 GLU A 73 1.467 5.303 -6.911 1.00 0.53 H new ATOM 0 HG3 GLU A 73 2.328 4.953 -8.397 1.00 0.53 H new ATOM 1093 N LEU A 74 1.145 1.964 -5.490 1.00 0.25 N ATOM 1094 CA LEU A 74 1.563 1.806 -4.099 1.00 0.26 C ATOM 1095 C LEU A 74 2.594 0.648 -4.037 1.00 0.24 C ATOM 1096 O LEU A 74 3.639 0.755 -3.389 1.00 0.27 O ATOM 1097 CB LEU A 74 0.310 1.507 -3.227 1.00 0.29 C ATOM 1098 CG LEU A 74 0.348 1.896 -1.725 1.00 0.33 C ATOM 1099 CD1 LEU A 74 -0.982 1.587 -1.067 1.00 1.30 C ATOM 1100 CD2 LEU A 74 1.464 1.201 -0.972 1.00 1.14 C ATOM 0 H LEU A 74 0.186 1.669 -5.672 1.00 0.25 H new ATOM 0 HA LEU A 74 2.030 2.713 -3.715 1.00 0.26 H new ATOM 0 HB2 LEU A 74 -0.540 2.017 -3.681 1.00 0.29 H new ATOM 0 HB3 LEU A 74 0.110 0.437 -3.288 1.00 0.29 H new ATOM 0 HG LEU A 74 0.542 2.968 -1.682 1.00 0.33 H new ATOM 0 HD11 LEU A 74 -0.940 1.865 -0.014 1.00 1.30 H new ATOM 0 HD12 LEU A 74 -1.772 2.153 -1.561 1.00 1.30 H new ATOM 0 HD13 LEU A 74 -1.191 0.521 -1.153 1.00 1.30 H new ATOM 0 HD21 LEU A 74 1.444 1.509 0.073 1.00 1.14 H new ATOM 0 HD22 LEU A 74 1.328 0.121 -1.035 1.00 1.14 H new ATOM 0 HD23 LEU A 74 2.424 1.472 -1.412 1.00 1.14 H new ATOM 1112 N LEU A 75 2.288 -0.428 -4.758 1.00 0.22 N ATOM 1113 CA LEU A 75 3.152 -1.601 -4.888 1.00 0.24 C ATOM 1114 C LEU A 75 4.490 -1.166 -5.475 1.00 0.23 C ATOM 1115 O LEU A 75 5.550 -1.429 -4.905 1.00 0.25 O ATOM 1116 CB LEU A 75 2.480 -2.610 -5.846 1.00 0.28 C ATOM 1117 CG LEU A 75 3.159 -3.966 -6.041 1.00 0.36 C ATOM 1118 CD1 LEU A 75 3.078 -4.785 -4.776 1.00 0.42 C ATOM 1119 CD2 LEU A 75 2.523 -4.719 -7.195 1.00 0.47 C ATOM 0 H LEU A 75 1.415 -0.512 -5.279 1.00 0.22 H new ATOM 0 HA LEU A 75 3.309 -2.063 -3.913 1.00 0.24 H new ATOM 0 HB2 LEU A 75 1.467 -2.791 -5.486 1.00 0.28 H new ATOM 0 HB3 LEU A 75 2.391 -2.136 -6.823 1.00 0.28 H new ATOM 0 HG LEU A 75 4.209 -3.792 -6.276 1.00 0.36 H new ATOM 0 HD11 LEU A 75 3.566 -5.747 -4.933 1.00 0.42 H new ATOM 0 HD12 LEU A 75 3.577 -4.253 -3.966 1.00 0.42 H new ATOM 0 HD13 LEU A 75 2.032 -4.947 -4.514 1.00 0.42 H new ATOM 0 HD21 LEU A 75 3.019 -5.682 -7.319 1.00 0.47 H new ATOM 0 HD22 LEU A 75 1.466 -4.880 -6.986 1.00 0.47 H new ATOM 0 HD23 LEU A 75 2.627 -4.137 -8.111 1.00 0.47 H new ATOM 1131 N ASP A 76 4.402 -0.451 -6.588 1.00 0.24 N ATOM 1132 CA ASP A 76 5.546 0.074 -7.333 1.00 0.30 C ATOM 1133 C ASP A 76 6.420 0.950 -6.456 1.00 0.28 C ATOM 1134 O ASP A 76 7.645 0.829 -6.481 1.00 0.31 O ATOM 1135 CB ASP A 76 5.057 0.867 -8.550 1.00 0.40 C ATOM 1136 CG ASP A 76 6.175 1.450 -9.369 1.00 0.57 C ATOM 1137 OD1 ASP A 76 6.855 0.692 -10.087 1.00 0.76 O ATOM 1138 OD2 ASP A 76 6.380 2.679 -9.323 1.00 0.64 O ATOM 0 H ASP A 76 3.507 -0.211 -7.013 1.00 0.24 H new ATOM 0 HA ASP A 76 6.148 -0.770 -7.670 1.00 0.30 H new ATOM 0 HB2 ASP A 76 4.455 0.214 -9.182 1.00 0.40 H new ATOM 0 HB3 ASP A 76 4.405 1.673 -8.212 1.00 0.40 H new ATOM 1143 N LEU A 77 5.778 1.802 -5.665 1.00 0.27 N ATOM 1144 CA LEU A 77 6.460 2.671 -4.716 1.00 0.29 C ATOM 1145 C LEU A 77 7.351 1.870 -3.791 1.00 0.28 C ATOM 1146 O LEU A 77 8.555 2.101 -3.720 1.00 0.33 O ATOM 1147 CB LEU A 77 5.440 3.449 -3.870 1.00 0.32 C ATOM 1148 CG LEU A 77 5.998 4.180 -2.635 1.00 0.43 C ATOM 1149 CD1 LEU A 77 6.939 5.319 -3.012 1.00 0.96 C ATOM 1150 CD2 LEU A 77 4.874 4.659 -1.741 1.00 0.63 C ATOM 0 H LEU A 77 4.764 1.909 -5.665 1.00 0.27 H new ATOM 0 HA LEU A 77 7.071 3.368 -5.290 1.00 0.29 H new ATOM 0 HB2 LEU A 77 4.952 4.183 -4.511 1.00 0.32 H new ATOM 0 HB3 LEU A 77 4.669 2.754 -3.537 1.00 0.32 H new ATOM 0 HG LEU A 77 6.594 3.460 -2.074 1.00 0.43 H new ATOM 0 HD11 LEU A 77 7.306 5.803 -2.107 1.00 0.96 H new ATOM 0 HD12 LEU A 77 7.782 4.922 -3.578 1.00 0.96 H new ATOM 0 HD13 LEU A 77 6.403 6.047 -3.621 1.00 0.96 H new ATOM 0 HD21 LEU A 77 5.292 5.172 -0.875 1.00 0.63 H new ATOM 0 HD22 LEU A 77 4.235 5.345 -2.296 1.00 0.63 H new ATOM 0 HD23 LEU A 77 4.285 3.805 -1.407 1.00 0.63 H new ATOM 1162 N ILE A 78 6.768 0.904 -3.120 1.00 0.25 N ATOM 1163 CA ILE A 78 7.504 0.150 -2.141 1.00 0.28 C ATOM 1164 C ILE A 78 8.493 -0.789 -2.810 1.00 0.30 C ATOM 1165 O ILE A 78 9.580 -0.987 -2.311 1.00 0.34 O ATOM 1166 CB ILE A 78 6.584 -0.615 -1.176 1.00 0.34 C ATOM 1167 CG1 ILE A 78 5.495 0.331 -0.670 1.00 0.40 C ATOM 1168 CG2 ILE A 78 7.412 -1.129 0.008 1.00 0.40 C ATOM 1169 CD1 ILE A 78 4.486 -0.315 0.236 1.00 0.51 C ATOM 0 H ILE A 78 5.793 0.626 -3.235 1.00 0.25 H new ATOM 0 HA ILE A 78 8.062 0.869 -1.541 1.00 0.28 H new ATOM 0 HB ILE A 78 6.124 -1.459 -1.690 1.00 0.34 H new ATOM 0 HG12 ILE A 78 5.967 1.157 -0.138 1.00 0.40 H new ATOM 0 HG13 ILE A 78 4.975 0.759 -1.527 1.00 0.40 H new ATOM 0 HG21 ILE A 78 6.765 -1.673 0.696 1.00 0.40 H new ATOM 0 HG22 ILE A 78 8.194 -1.795 -0.357 1.00 0.40 H new ATOM 0 HG23 ILE A 78 7.867 -0.285 0.527 1.00 0.40 H new ATOM 0 HD11 ILE A 78 3.750 0.426 0.548 1.00 0.51 H new ATOM 0 HD12 ILE A 78 3.984 -1.123 -0.296 1.00 0.51 H new ATOM 0 HD13 ILE A 78 4.991 -0.718 1.114 1.00 0.51 H new ATOM 1181 N ASN A 79 8.126 -1.336 -3.963 1.00 0.34 N ATOM 1182 CA ASN A 79 9.047 -2.187 -4.727 1.00 0.43 C ATOM 1183 C ASN A 79 10.285 -1.393 -5.105 1.00 0.46 C ATOM 1184 O ASN A 79 11.406 -1.874 -4.971 1.00 0.50 O ATOM 1185 CB ASN A 79 8.391 -2.792 -5.990 1.00 0.55 C ATOM 1186 CG ASN A 79 7.491 -4.013 -5.739 1.00 0.62 C ATOM 1187 OD1 ASN A 79 7.371 -4.878 -6.591 1.00 1.33 O ATOM 1188 ND2 ASN A 79 6.852 -4.091 -4.598 1.00 0.84 N ATOM 0 H ASN A 79 7.208 -1.211 -4.391 1.00 0.34 H new ATOM 0 HA ASN A 79 9.325 -3.023 -4.086 1.00 0.43 H new ATOM 0 HB2 ASN A 79 7.799 -2.018 -6.478 1.00 0.55 H new ATOM 0 HB3 ASN A 79 9.178 -3.078 -6.687 1.00 0.55 H new ATOM 0 HD21 ASN A 79 6.241 -4.885 -4.409 1.00 0.84 H new ATOM 0 HD22 ASN A 79 6.966 -3.357 -3.899 1.00 0.84 H new ATOM 1195 N GLY A 80 10.073 -0.155 -5.509 1.00 0.47 N ATOM 1196 CA GLY A 80 11.169 0.716 -5.841 1.00 0.56 C ATOM 1197 C GLY A 80 11.972 1.084 -4.611 1.00 0.55 C ATOM 1198 O GLY A 80 13.201 1.084 -4.642 1.00 0.63 O ATOM 0 H GLY A 80 9.149 0.264 -5.613 1.00 0.47 H new ATOM 0 HA2 GLY A 80 11.817 0.227 -6.568 1.00 0.56 H new ATOM 0 HA3 GLY A 80 10.787 1.621 -6.313 1.00 0.56 H new ATOM 1202 N ALA A 81 11.270 1.360 -3.520 1.00 0.49 N ATOM 1203 CA ALA A 81 11.883 1.722 -2.245 1.00 0.53 C ATOM 1204 C ALA A 81 12.713 0.574 -1.662 1.00 0.50 C ATOM 1205 O ALA A 81 13.682 0.808 -0.948 1.00 0.61 O ATOM 1206 CB ALA A 81 10.823 2.173 -1.248 1.00 0.53 C ATOM 0 H ALA A 81 10.251 1.339 -3.493 1.00 0.49 H new ATOM 0 HA ALA A 81 12.562 2.552 -2.437 1.00 0.53 H new ATOM 0 HB1 ALA A 81 11.300 2.438 -0.305 1.00 0.53 H new ATOM 0 HB2 ALA A 81 10.296 3.041 -1.645 1.00 0.53 H new ATOM 0 HB3 ALA A 81 10.113 1.363 -1.080 1.00 0.53 H new ATOM 1212 N LEU A 82 12.336 -0.658 -1.972 1.00 0.42 N ATOM 1213 CA LEU A 82 13.079 -1.835 -1.524 1.00 0.44 C ATOM 1214 C LEU A 82 14.414 -1.931 -2.244 1.00 0.56 C ATOM 1215 O LEU A 82 15.403 -2.411 -1.691 1.00 0.74 O ATOM 1216 CB LEU A 82 12.254 -3.112 -1.717 1.00 0.40 C ATOM 1217 CG LEU A 82 10.986 -3.212 -0.864 1.00 0.38 C ATOM 1218 CD1 LEU A 82 10.193 -4.450 -1.215 1.00 0.45 C ATOM 1219 CD2 LEU A 82 11.334 -3.206 0.612 1.00 0.46 C ATOM 0 H LEU A 82 11.514 -0.873 -2.536 1.00 0.42 H new ATOM 0 HA LEU A 82 13.277 -1.727 -0.458 1.00 0.44 H new ATOM 0 HB2 LEU A 82 11.971 -3.186 -2.767 1.00 0.40 H new ATOM 0 HB3 LEU A 82 12.888 -3.971 -1.496 1.00 0.40 H new ATOM 0 HG LEU A 82 10.367 -2.341 -1.078 1.00 0.38 H new ATOM 0 HD11 LEU A 82 9.298 -4.497 -0.595 1.00 0.45 H new ATOM 0 HD12 LEU A 82 9.905 -4.412 -2.266 1.00 0.45 H new ATOM 0 HD13 LEU A 82 10.804 -5.335 -1.038 1.00 0.45 H new ATOM 0 HD21 LEU A 82 10.420 -3.278 1.202 1.00 0.46 H new ATOM 0 HD22 LEU A 82 11.979 -4.055 0.837 1.00 0.46 H new ATOM 0 HD23 LEU A 82 11.854 -2.280 0.860 1.00 0.46 H new ATOM 1231 N ALA A 83 14.449 -1.423 -3.462 1.00 0.56 N ATOM 1232 CA ALA A 83 15.676 -1.374 -4.244 1.00 0.71 C ATOM 1233 C ALA A 83 16.530 -0.181 -3.790 1.00 0.84 C ATOM 1234 O ALA A 83 17.698 -0.039 -4.155 1.00 1.00 O ATOM 1235 CB ALA A 83 15.349 -1.268 -5.727 1.00 0.78 C ATOM 0 H ALA A 83 13.634 -1.034 -3.937 1.00 0.56 H new ATOM 0 HA ALA A 83 16.242 -2.292 -4.084 1.00 0.71 H new ATOM 0 HB1 ALA A 83 16.274 -1.232 -6.302 1.00 0.78 H new ATOM 0 HB2 ALA A 83 14.765 -2.136 -6.034 1.00 0.78 H new ATOM 0 HB3 ALA A 83 14.773 -0.360 -5.909 1.00 0.78 H new ATOM 1241 N GLU A 84 15.926 0.665 -2.981 1.00 0.89 N ATOM 1242 CA GLU A 84 16.575 1.837 -2.424 1.00 1.12 C ATOM 1243 C GLU A 84 16.793 1.631 -0.929 1.00 1.10 C ATOM 1244 O GLU A 84 17.094 2.579 -0.189 1.00 1.37 O ATOM 1245 CB GLU A 84 15.703 3.069 -2.643 1.00 1.34 C ATOM 1246 CG GLU A 84 15.420 3.376 -4.096 1.00 1.96 C ATOM 1247 CD GLU A 84 14.477 4.531 -4.259 1.00 2.48 C ATOM 1248 OE1 GLU A 84 13.255 4.325 -4.236 1.00 3.17 O ATOM 1249 OE2 GLU A 84 14.938 5.671 -4.411 1.00 2.77 O ATOM 0 H GLU A 84 14.955 0.557 -2.687 1.00 0.89 H new ATOM 0 HA GLU A 84 17.534 1.985 -2.920 1.00 1.12 H new ATOM 0 HB2 GLU A 84 14.756 2.928 -2.122 1.00 1.34 H new ATOM 0 HB3 GLU A 84 16.191 3.931 -2.189 1.00 1.34 H new ATOM 0 HG2 GLU A 84 16.356 3.599 -4.607 1.00 1.96 H new ATOM 0 HG3 GLU A 84 14.997 2.494 -4.576 1.00 1.96 H new ATOM 1256 N ALA A 85 16.641 0.397 -0.490 1.00 1.08 N ATOM 1257 CA ALA A 85 16.792 0.057 0.904 1.00 1.24 C ATOM 1258 C ALA A 85 18.256 -0.051 1.259 1.00 1.57 C ATOM 1259 O ALA A 85 18.987 -0.902 0.725 1.00 1.86 O ATOM 1260 CB ALA A 85 16.052 -1.231 1.237 1.00 1.36 C ATOM 0 H ALA A 85 16.410 -0.394 -1.091 1.00 1.08 H new ATOM 0 HA ALA A 85 16.350 0.853 1.502 1.00 1.24 H new ATOM 0 HB1 ALA A 85 16.183 -1.463 2.294 1.00 1.36 H new ATOM 0 HB2 ALA A 85 14.991 -1.107 1.022 1.00 1.36 H new ATOM 0 HB3 ALA A 85 16.452 -2.046 0.634 1.00 1.36 H new ATOM 1266 N ALA A 86 18.694 0.843 2.082 1.00 2.28 N ATOM 1267 CA ALA A 86 20.041 0.870 2.544 1.00 2.95 C ATOM 1268 C ALA A 86 20.008 0.906 4.046 1.00 3.59 C ATOM 1269 O ALA A 86 19.907 2.001 4.622 1.00 4.18 O ATOM 1270 CB ALA A 86 20.779 2.078 1.978 1.00 3.65 C ATOM 1271 OXT ALA A 86 20.006 -0.168 4.672 1.00 3.96 O ATOM 0 H ALA A 86 18.113 1.591 2.460 1.00 2.28 H new ATOM 0 HA ALA A 86 20.578 -0.016 2.206 1.00 2.95 H new ATOM 0 HB1 ALA A 86 21.806 2.081 2.343 1.00 3.65 H new ATOM 0 HB2 ALA A 86 20.781 2.026 0.889 1.00 3.65 H new ATOM 0 HB3 ALA A 86 20.279 2.992 2.297 1.00 3.65 H new TER 1277 ALA A 86 HETATM 1278 P24 SXV A 87 -7.499 11.831 2.828 1.00 1.02 P HETATM 1279 O26 SXV A 87 -8.165 11.679 1.434 1.00 1.46 O HETATM 1280 O23 SXV A 87 -8.443 12.041 4.048 1.00 1.45 O HETATM 1281 O27 SXV A 87 -6.474 12.996 2.792 1.00 1.00 O HETATM 1282 C28 SXV A 87 -5.642 13.233 3.989 1.00 1.26 C HETATM 1283 C29 SXV A 87 -4.740 14.479 3.830 1.00 1.33 C HETATM 1284 C30 SXV A 87 -3.774 14.483 4.996 1.00 1.50 C HETATM 1285 C31 SXV A 87 -3.956 14.377 2.519 1.00 1.44 C HETATM 1286 C32 SXV A 87 -5.593 15.826 3.844 1.00 1.82 C HETATM 1287 O33 SXV A 87 -6.372 15.885 5.058 1.00 2.23 O HETATM 1288 C34 SXV A 87 -6.552 15.911 2.634 1.00 2.37 C HETATM 1289 O35 SXV A 87 -6.145 16.192 1.494 1.00 2.83 O HETATM 1290 N36 SXV A 87 -7.817 15.706 2.895 1.00 3.05 N HETATM 1291 C37 SXV A 87 -8.859 15.752 1.892 1.00 4.03 C HETATM 1292 C38 SXV A 87 -9.851 14.611 2.055 1.00 4.86 C HETATM 1293 C39 SXV A 87 -10.830 14.474 0.883 1.00 5.59 C HETATM 1294 O40 SXV A 87 -11.910 13.878 1.007 1.00 5.87 O HETATM 1295 N41 SXV A 87 -10.435 15.030 -0.242 1.00 6.22 N HETATM 1296 C42 SXV A 87 -11.187 15.030 -1.466 1.00 7.18 C HETATM 1297 C43 SXV A 87 -10.261 15.100 -2.644 1.00 7.81 C HETATM 1298 S1 SXV A 87 -8.980 16.341 -2.414 1.00 8.59 S HETATM 1299 C1 SXV A 87 -8.050 16.140 -3.958 1.00 9.00 C HETATM 1300 C2 SXV A 87 -8.870 16.436 -5.209 1.00 9.66 C HETATM 1301 C3 SXV A 87 -9.401 17.858 -5.254 1.00 10.13 C HETATM 1302 O3 SXV A 87 -8.629 18.846 -5.175 1.00 10.24 O HETATM 1303 C4 SXV A 87 -10.899 18.051 -5.394 1.00 10.73 C HETATM 0 HO33 SXV A 87 -6.896 16.713 5.070 1.00 2.23 H new HETATM 0 HN41 SXV A 87 -9.527 15.496 -0.245 1.00 6.22 H new HETATM 0 HN36 SXV A 87 -8.084 15.503 3.858 1.00 3.05 H new HETATM 0 H43A SXV A 87 -9.799 14.125 -2.801 1.00 7.81 H new HETATM 0 H42A SXV A 87 -11.797 14.128 -1.527 1.00 7.18 H new HETATM 0 H38A SXV A 87 -9.301 13.677 2.169 1.00 4.86 H new HETATM 0 H37A SXV A 87 -9.386 16.704 1.959 1.00 4.03 H new HETATM 0 H31B SXV A 87 -3.337 13.480 2.534 1.00 1.44 H new HETATM 0 H31A SXV A 87 -4.652 14.323 1.682 1.00 1.44 H new HETATM 0 H30B SXV A 87 -4.332 14.530 5.931 1.00 1.50 H new HETATM 0 H30A SXV A 87 -3.176 13.572 4.976 1.00 1.50 H new HETATM 0 H28A SXV A 87 -6.286 13.360 4.859 1.00 1.26 H new HETATM 0 H4B SXV A 87 -11.240 17.591 -6.321 1.00 10.73 H new HETATM 0 H4A SXV A 87 -11.406 17.585 -4.549 1.00 10.73 H new HETATM 0 H43 SXV A 87 -10.833 15.330 -3.543 1.00 7.81 H new HETATM 0 H42 SXV A 87 -11.871 15.879 -1.481 1.00 7.18 H new HETATM 0 H4 SXV A 87 -11.128 19.116 -5.412 1.00 10.73 H new HETATM 0 H38 SXV A 87 -10.417 14.762 2.974 1.00 4.86 H new HETATM 0 H37 SXV A 87 -8.411 15.705 0.900 1.00 4.03 H new HETATM 0 H32 SXV A 87 -4.896 16.662 3.789 1.00 1.82 H new HETATM 0 H31 SXV A 87 -3.320 15.255 2.406 1.00 1.44 H new HETATM 0 H30 SXV A 87 -3.117 15.350 4.921 1.00 1.50 H new HETATM 0 H2A SXV A 87 -8.254 16.257 -6.090 1.00 9.66 H new HETATM 0 H28 SXV A 87 -5.021 12.357 4.178 1.00 1.26 H new HETATM 0 H2 SXV A 87 -9.708 15.740 -5.259 1.00 9.66 H new HETATM 0 H1A SXV A 87 -7.183 16.800 -3.938 1.00 9.00 H new HETATM 0 H1 SXV A 87 -7.673 15.119 -4.015 1.00 9.00 H new