USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 118 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-5.6!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 148 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.7!) USER MOD Single : A 150 LYS NZ :NH3+ 151:sc= -1.61 (180deg=-3.37!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 153 CYS SG : rot -93:sc= 0.00481 USER MOD Single : A 155 SER OG : rot 170:sc= -0.235 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 71.962 -3.717 3.399 1.00 10.33 N ATOM 2 CA PRO A 108 73.210 -3.135 3.965 1.00 9.87 C ATOM 3 C PRO A 108 72.936 -1.840 4.727 1.00 9.14 C ATOM 4 O PRO A 108 71.868 -1.242 4.593 1.00 9.03 O ATOM 5 CB PRO A 108 74.166 -2.878 2.804 1.00 10.34 C ATOM 6 CG PRO A 108 73.353 -3.163 1.585 1.00 11.01 C ATOM 7 CD PRO A 108 72.265 -4.118 2.015 1.00 10.96 C ATOM 0 HA PRO A 108 73.646 -3.832 4.681 1.00 9.87 H new ATOM 0 HB2 PRO A 108 74.529 -1.850 2.808 1.00 10.34 H new ATOM 0 HB3 PRO A 108 75.041 -3.526 2.859 1.00 10.34 H new ATOM 0 HG2 PRO A 108 72.927 -2.246 1.179 1.00 11.01 H new ATOM 0 HG3 PRO A 108 73.969 -3.603 0.801 1.00 11.01 H new ATOM 0 HD2 PRO A 108 71.387 -4.036 1.375 1.00 10.96 H new ATOM 0 HD3 PRO A 108 72.601 -5.154 1.964 1.00 10.96 H new ATOM 17 N ARG A 109 73.909 -1.412 5.525 1.00 8.91 N ATOM 18 CA ARG A 109 73.775 -0.190 6.308 1.00 8.49 C ATOM 19 C ARG A 109 73.570 1.019 5.401 1.00 7.86 C ATOM 20 O ARG A 109 74.320 1.226 4.447 1.00 7.78 O ATOM 21 CB ARG A 109 75.013 0.019 7.182 1.00 8.84 C ATOM 22 CG ARG A 109 74.733 0.802 8.454 1.00 9.50 C ATOM 23 CD ARG A 109 75.989 0.965 9.296 1.00 10.20 C ATOM 24 NE ARG A 109 75.731 0.724 10.714 1.00 10.78 N ATOM 25 CZ ARG A 109 75.163 1.614 11.527 1.00 11.32 C ATOM 26 NH1 ARG A 109 74.793 2.802 11.065 1.00 11.37 N ATOM 27 NH2 ARG A 109 74.966 1.313 12.803 1.00 12.00 N ATOM 0 H ARG A 109 74.800 -1.894 5.646 1.00 8.91 H new ATOM 0 HA ARG A 109 72.899 -0.294 6.948 1.00 8.49 H new ATOM 0 HB2 ARG A 109 75.429 -0.953 7.447 1.00 8.84 H new ATOM 0 HB3 ARG A 109 75.773 0.543 6.602 1.00 8.84 H new ATOM 0 HG2 ARG A 109 74.335 1.784 8.198 1.00 9.50 H new ATOM 0 HG3 ARG A 109 73.967 0.290 9.037 1.00 9.50 H new ATOM 0 HD2 ARG A 109 76.754 0.273 8.944 1.00 10.20 H new ATOM 0 HD3 ARG A 109 76.385 1.972 9.165 1.00 10.20 H new ATOM 0 HE ARG A 109 76.002 -0.179 11.104 1.00 10.78 H new ATOM 0 HH11 ARG A 109 74.943 3.037 10.084 1.00 11.37 H new ATOM 0 HH12 ARG A 109 74.359 3.480 11.691 1.00 11.37 H new ATOM 0 HH21 ARG A 109 75.249 0.401 13.161 1.00 12.00 H new ATOM 0 HH22 ARG A 109 74.531 1.993 13.426 1.00 12.00 H new ATOM 41 N VAL A 110 72.549 1.814 5.705 1.00 7.68 N ATOM 42 CA VAL A 110 72.247 3.002 4.917 1.00 7.34 C ATOM 43 C VAL A 110 73.200 4.145 5.259 1.00 6.54 C ATOM 44 O VAL A 110 73.586 4.925 4.391 1.00 6.26 O ATOM 45 CB VAL A 110 70.794 3.471 5.140 1.00 7.82 C ATOM 46 CG1 VAL A 110 70.567 3.852 6.595 1.00 8.21 C ATOM 47 CG2 VAL A 110 70.457 4.634 4.217 1.00 8.46 C ATOM 0 H VAL A 110 71.918 1.657 6.491 1.00 7.68 H new ATOM 0 HA VAL A 110 72.374 2.729 3.870 1.00 7.34 H new ATOM 0 HB VAL A 110 70.128 2.642 4.900 1.00 7.82 H new ATOM 0 HG11 VAL A 110 69.536 4.180 6.729 1.00 8.21 H new ATOM 0 HG12 VAL A 110 70.759 2.988 7.231 1.00 8.21 H new ATOM 0 HG13 VAL A 110 71.243 4.662 6.869 1.00 8.21 H new ATOM 0 HG21 VAL A 110 69.428 4.950 4.390 1.00 8.46 H new ATOM 0 HG22 VAL A 110 71.131 5.466 4.420 1.00 8.46 H new ATOM 0 HG23 VAL A 110 70.570 4.320 3.179 1.00 8.46 H new ATOM 57 N LEU A 111 73.573 4.234 6.532 1.00 6.49 N ATOM 58 CA LEU A 111 74.481 5.279 6.990 1.00 6.05 C ATOM 59 C LEU A 111 75.934 4.881 6.749 1.00 5.68 C ATOM 60 O LEU A 111 76.329 3.747 7.014 1.00 6.10 O ATOM 61 CB LEU A 111 74.258 5.561 8.477 1.00 6.60 C ATOM 62 CG LEU A 111 72.835 5.980 8.850 1.00 6.95 C ATOM 63 CD1 LEU A 111 72.471 5.459 10.233 1.00 7.53 C ATOM 64 CD2 LEU A 111 72.692 7.493 8.793 1.00 7.37 C ATOM 0 H LEU A 111 73.261 3.596 7.264 1.00 6.49 H new ATOM 0 HA LEU A 111 74.271 6.184 6.420 1.00 6.05 H new ATOM 0 HB2 LEU A 111 74.518 4.667 9.044 1.00 6.60 H new ATOM 0 HB3 LEU A 111 74.946 6.347 8.789 1.00 6.60 H new ATOM 0 HG LEU A 111 72.146 5.543 8.127 1.00 6.95 H new ATOM 0 HD11 LEU A 111 71.455 5.767 10.482 1.00 7.53 H new ATOM 0 HD12 LEU A 111 72.533 4.371 10.240 1.00 7.53 H new ATOM 0 HD13 LEU A 111 73.164 5.866 10.969 1.00 7.53 H new ATOM 0 HD21 LEU A 111 71.673 7.773 9.061 1.00 7.37 H new ATOM 0 HD22 LEU A 111 73.390 7.951 9.493 1.00 7.37 H new ATOM 0 HD23 LEU A 111 72.910 7.841 7.783 1.00 7.37 H new ATOM 76 N ALA A 112 76.724 5.825 6.245 1.00 5.15 N ATOM 77 CA ALA A 112 78.134 5.572 5.971 1.00 4.90 C ATOM 78 C ALA A 112 79.027 6.473 6.817 1.00 5.28 C ATOM 79 O ALA A 112 79.157 7.667 6.547 1.00 5.66 O ATOM 80 CB ALA A 112 78.427 5.776 4.491 1.00 4.47 C ATOM 0 H ALA A 112 76.412 6.769 6.019 1.00 5.15 H new ATOM 0 HA ALA A 112 78.351 4.537 6.235 1.00 4.90 H new ATOM 0 HB1 ALA A 112 79.483 5.584 4.299 1.00 4.47 H new ATOM 0 HB2 ALA A 112 77.820 5.088 3.902 1.00 4.47 H new ATOM 0 HB3 ALA A 112 78.188 6.802 4.211 1.00 4.47 H new ATOM 86 N GLU A 113 79.640 5.893 7.843 1.00 5.43 N ATOM 87 CA GLU A 113 80.520 6.643 8.732 1.00 5.94 C ATOM 88 C GLU A 113 81.891 6.847 8.093 1.00 6.10 C ATOM 89 O GLU A 113 82.212 6.229 7.077 1.00 6.17 O ATOM 90 CB GLU A 113 80.671 5.914 10.069 1.00 6.32 C ATOM 91 CG GLU A 113 80.634 6.839 11.273 1.00 6.89 C ATOM 92 CD GLU A 113 79.254 7.417 11.524 1.00 7.44 C ATOM 93 OE1 GLU A 113 78.478 7.539 10.555 1.00 7.69 O ATOM 94 OE2 GLU A 113 78.951 7.744 12.691 1.00 7.92 O ATOM 0 H GLU A 113 79.544 4.906 8.080 1.00 5.43 H new ATOM 0 HA GLU A 113 80.071 7.620 8.908 1.00 5.94 H new ATOM 0 HB2 GLU A 113 79.874 5.176 10.163 1.00 6.32 H new ATOM 0 HB3 GLU A 113 81.614 5.367 10.071 1.00 6.32 H new ATOM 0 HG2 GLU A 113 80.961 6.291 12.157 1.00 6.89 H new ATOM 0 HG3 GLU A 113 81.343 7.653 11.123 1.00 6.89 H new ATOM 101 N ARG A 114 82.694 7.718 8.694 1.00 6.45 N ATOM 102 CA ARG A 114 84.031 8.003 8.185 1.00 6.82 C ATOM 103 C ARG A 114 85.094 7.295 9.019 1.00 6.52 C ATOM 104 O ARG A 114 86.053 6.742 8.479 1.00 6.48 O ATOM 105 CB ARG A 114 84.289 9.512 8.183 1.00 7.39 C ATOM 106 CG ARG A 114 84.299 10.129 9.573 1.00 8.23 C ATOM 107 CD ARG A 114 83.943 11.607 9.528 1.00 8.84 C ATOM 108 NE ARG A 114 83.071 11.993 10.635 1.00 9.52 N ATOM 109 CZ ARG A 114 82.409 13.146 10.690 1.00 10.11 C ATOM 110 NH1 ARG A 114 82.516 14.029 9.705 1.00 10.12 N ATOM 111 NH2 ARG A 114 81.638 13.418 11.733 1.00 10.88 N ATOM 0 H ARG A 114 82.443 8.239 9.534 1.00 6.45 H new ATOM 0 HA ARG A 114 84.089 7.630 7.162 1.00 6.82 H new ATOM 0 HB2 ARG A 114 85.247 9.708 7.701 1.00 7.39 H new ATOM 0 HB3 ARG A 114 83.523 10.002 7.582 1.00 7.39 H new ATOM 0 HG2 ARG A 114 83.590 9.602 10.212 1.00 8.23 H new ATOM 0 HG3 ARG A 114 85.285 10.004 10.021 1.00 8.23 H new ATOM 0 HD2 ARG A 114 84.856 12.201 9.561 1.00 8.84 H new ATOM 0 HD3 ARG A 114 83.450 11.833 8.582 1.00 8.84 H new ATOM 0 HE ARG A 114 82.963 11.340 11.411 1.00 9.52 H new ATOM 0 HH11 ARG A 114 83.108 13.826 8.900 1.00 10.12 H new ATOM 0 HH12 ARG A 114 82.006 14.911 9.753 1.00 10.12 H new ATOM 0 HH21 ARG A 114 81.552 12.744 12.493 1.00 10.88 H new ATOM 0 HH22 ARG A 114 81.130 14.302 11.775 1.00 10.88 H new ATOM 125 N GLY A 115 84.917 7.316 10.335 1.00 6.59 N ATOM 126 CA GLY A 115 85.868 6.673 11.222 1.00 6.53 C ATOM 127 C GLY A 115 86.816 7.661 11.873 1.00 6.78 C ATOM 128 O GLY A 115 86.709 8.868 11.656 1.00 6.99 O ATOM 0 H GLY A 115 84.131 7.767 10.804 1.00 6.59 H new ATOM 0 HA2 GLY A 115 85.327 6.129 11.997 1.00 6.53 H new ATOM 0 HA3 GLY A 115 86.444 5.938 10.660 1.00 6.53 H new ATOM 132 N GLU A 116 87.745 7.148 12.672 1.00 6.92 N ATOM 133 CA GLU A 116 88.715 7.994 13.359 1.00 7.28 C ATOM 134 C GLU A 116 89.794 8.476 12.395 1.00 7.01 C ATOM 135 O GLU A 116 89.894 9.669 12.105 1.00 7.37 O ATOM 136 CB GLU A 116 89.356 7.232 14.520 1.00 7.73 C ATOM 137 CG GLU A 116 89.991 8.137 15.564 1.00 8.27 C ATOM 138 CD GLU A 116 90.620 7.359 16.704 1.00 8.72 C ATOM 139 OE1 GLU A 116 91.663 6.711 16.475 1.00 9.05 O ATOM 140 OE2 GLU A 116 90.068 7.396 17.824 1.00 8.96 O ATOM 0 H GLU A 116 87.847 6.151 12.860 1.00 6.92 H new ATOM 0 HA GLU A 116 88.188 8.864 13.752 1.00 7.28 H new ATOM 0 HB2 GLU A 116 88.598 6.613 15.000 1.00 7.73 H new ATOM 0 HB3 GLU A 116 90.116 6.557 14.126 1.00 7.73 H new ATOM 0 HG2 GLU A 116 90.751 8.757 15.089 1.00 8.27 H new ATOM 0 HG3 GLU A 116 89.234 8.812 15.963 1.00 8.27 H new ATOM 147 N GLY A 117 90.599 7.543 11.899 1.00 6.59 N ATOM 148 CA GLY A 117 91.660 7.892 10.972 1.00 6.40 C ATOM 149 C GLY A 117 91.443 7.300 9.595 1.00 5.64 C ATOM 150 O GLY A 117 90.520 7.694 8.880 1.00 5.49 O ATOM 0 H GLY A 117 90.536 6.550 12.123 1.00 6.59 H new ATOM 0 HA2 GLY A 117 91.726 8.977 10.892 1.00 6.40 H new ATOM 0 HA3 GLY A 117 92.614 7.543 11.368 1.00 6.40 H new ATOM 154 N HIS A 118 92.293 6.349 9.220 1.00 5.19 N ATOM 155 CA HIS A 118 92.188 5.701 7.918 1.00 4.46 C ATOM 156 C HIS A 118 90.835 5.015 7.762 1.00 4.06 C ATOM 157 O HIS A 118 90.511 4.086 8.501 1.00 4.20 O ATOM 158 CB HIS A 118 93.310 4.675 7.743 1.00 4.14 C ATOM 159 CG HIS A 118 94.656 5.288 7.510 1.00 4.36 C ATOM 160 ND1 HIS A 118 94.832 6.651 7.498 1.00 4.82 N ATOM 161 CD2 HIS A 118 95.849 4.685 7.288 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.120 6.845 7.271 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.776 5.684 7.137 1.00 4.60 N ATOM 0 H HIS A 118 93.061 6.011 9.799 1.00 5.19 H new ATOM 0 HA HIS A 118 92.281 6.469 7.150 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.356 4.045 8.632 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.067 4.024 6.903 1.00 4.14 H new ATOM 0 HD1 HIS A 118 94.117 7.365 7.636 1.00 4.82 H new ATOM 0 HD2 HIS A 118 96.034 3.622 7.239 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.585 7.817 7.202 1.00 4.97 H new ATOM 171 N ARG A 119 90.048 5.476 6.794 1.00 3.68 N ATOM 172 CA ARG A 119 88.732 4.900 6.546 1.00 3.29 C ATOM 173 C ARG A 119 88.844 3.667 5.655 1.00 2.55 C ATOM 174 O ARG A 119 88.214 2.642 5.915 1.00 2.42 O ATOM 175 CB ARG A 119 87.806 5.934 5.903 1.00 3.40 C ATOM 176 CG ARG A 119 88.305 6.453 4.564 1.00 3.29 C ATOM 177 CD ARG A 119 87.348 7.479 3.975 1.00 3.67 C ATOM 178 NE ARG A 119 86.039 6.901 3.684 1.00 3.86 N ATOM 179 CZ ARG A 119 84.930 7.620 3.522 1.00 4.35 C ATOM 180 NH1 ARG A 119 84.968 8.944 3.620 1.00 4.64 N ATOM 181 NH2 ARG A 119 83.780 7.016 3.261 1.00 4.88 N ATOM 0 H ARG A 119 90.298 6.244 6.171 1.00 3.68 H new ATOM 0 HA ARG A 119 88.307 4.599 7.503 1.00 3.29 H new ATOM 0 HB2 ARG A 119 86.820 5.490 5.766 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.685 6.775 6.586 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.290 6.902 4.690 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.421 5.621 3.870 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.231 8.308 4.672 1.00 3.67 H new ATOM 0 HD3 ARG A 119 87.775 7.890 3.060 1.00 3.67 H new ATOM 0 HE ARG A 119 85.970 5.887 3.600 1.00 3.86 H new ATOM 0 HH11 ARG A 119 85.850 9.415 3.820 1.00 4.64 H new ATOM 0 HH12 ARG A 119 84.115 9.489 3.495 1.00 4.64 H new ATOM 0 HH21 ARG A 119 83.744 6.000 3.184 1.00 4.88 H new ATOM 0 HH22 ARG A 119 82.931 7.567 3.137 1.00 4.88 H new ATOM 195 N PHE A 120 89.653 3.775 4.605 1.00 2.20 N ATOM 196 CA PHE A 120 89.854 2.670 3.673 1.00 1.52 C ATOM 197 C PHE A 120 88.523 2.148 3.139 1.00 1.27 C ATOM 198 O PHE A 120 87.831 1.387 3.813 1.00 1.46 O ATOM 199 CB PHE A 120 90.612 1.533 4.356 1.00 1.60 C ATOM 200 CG PHE A 120 92.095 1.757 4.436 1.00 1.77 C ATOM 201 CD1 PHE A 120 92.859 1.853 3.284 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.725 1.870 5.665 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.223 2.059 3.355 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.090 2.075 5.742 1.00 2.70 C ATOM 205 CZ PHE A 120 94.840 2.170 4.586 1.00 2.25 C ATOM 0 H PHE A 120 90.181 4.618 4.378 1.00 2.20 H new ATOM 0 HA PHE A 120 90.440 3.045 2.834 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.219 1.400 5.364 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.422 0.606 3.815 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.382 1.766 2.319 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.144 1.797 6.572 1.00 2.46 H new ATOM 0 HE1 PHE A 120 94.806 2.133 2.449 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.570 2.161 6.706 1.00 2.70 H new ATOM 0 HZ PHE A 120 95.906 2.331 4.644 1.00 2.25 H new ATOM 215 N VAL A 121 88.175 2.555 1.925 1.00 1.28 N ATOM 216 CA VAL A 121 86.929 2.116 1.309 1.00 1.47 C ATOM 217 C VAL A 121 87.169 0.922 0.390 1.00 1.73 C ATOM 218 O VAL A 121 87.796 1.047 -0.661 1.00 2.05 O ATOM 219 CB VAL A 121 86.261 3.249 0.506 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.752 4.338 1.439 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.224 3.827 -0.522 1.00 2.59 C ATOM 0 H VAL A 121 88.734 3.185 1.350 1.00 1.28 H new ATOM 0 HA VAL A 121 86.261 1.823 2.119 1.00 1.47 H new ATOM 0 HB VAL A 121 85.409 2.830 -0.029 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.284 5.129 0.853 1.00 2.26 H new ATOM 0 HG12 VAL A 121 85.021 3.915 2.128 1.00 2.26 H new ATOM 0 HG13 VAL A 121 86.587 4.751 2.005 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.729 4.625 -1.076 1.00 2.59 H new ATOM 0 HG22 VAL A 121 88.101 4.228 -0.014 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.532 3.043 -1.213 1.00 2.59 H new ATOM 231 N GLU A 122 86.667 -0.240 0.800 1.00 1.96 N ATOM 232 CA GLU A 122 86.828 -1.459 0.016 1.00 2.61 C ATOM 233 C GLU A 122 86.199 -1.305 -1.363 1.00 3.15 C ATOM 234 O GLU A 122 85.002 -1.041 -1.485 1.00 3.31 O ATOM 235 CB GLU A 122 86.201 -2.648 0.747 1.00 3.09 C ATOM 236 CG GLU A 122 84.695 -2.531 0.922 1.00 3.41 C ATOM 237 CD GLU A 122 84.123 -3.632 1.793 1.00 3.75 C ATOM 238 OE1 GLU A 122 84.892 -4.229 2.575 1.00 4.00 O ATOM 239 OE2 GLU A 122 82.908 -3.898 1.692 1.00 4.17 O ATOM 0 H GLU A 122 86.147 -0.362 1.669 1.00 1.96 H new ATOM 0 HA GLU A 122 87.895 -1.642 -0.110 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.424 -3.561 0.196 1.00 3.09 H new ATOM 0 HB3 GLU A 122 86.666 -2.746 1.728 1.00 3.09 H new ATOM 0 HG2 GLU A 122 84.458 -1.563 1.364 1.00 3.41 H new ATOM 0 HG3 GLU A 122 84.216 -2.561 -0.056 1.00 3.41 H new ATOM 246 N LEU A 123 87.012 -1.468 -2.401 1.00 3.56 N ATOM 247 CA LEU A 123 86.532 -1.344 -3.772 1.00 4.25 C ATOM 248 C LEU A 123 85.640 -2.524 -4.145 1.00 4.92 C ATOM 249 O LEU A 123 85.890 -3.658 -3.735 1.00 5.12 O ATOM 250 CB LEU A 123 87.711 -1.247 -4.744 1.00 4.48 C ATOM 251 CG LEU A 123 87.641 -0.082 -5.735 1.00 4.92 C ATOM 252 CD1 LEU A 123 88.768 -0.177 -6.751 1.00 5.51 C ATOM 253 CD2 LEU A 123 86.290 -0.059 -6.437 1.00 5.24 C ATOM 0 H LEU A 123 88.005 -1.686 -2.319 1.00 3.56 H new ATOM 0 HA LEU A 123 85.941 -0.431 -3.842 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.631 -1.158 -4.167 1.00 4.48 H new ATOM 0 HB3 LEU A 123 87.776 -2.179 -5.306 1.00 4.48 H new ATOM 0 HG LEU A 123 87.756 0.849 -5.180 1.00 4.92 H new ATOM 0 HD11 LEU A 123 88.702 0.659 -7.447 1.00 5.51 H new ATOM 0 HD12 LEU A 123 89.727 -0.144 -6.234 1.00 5.51 H new ATOM 0 HD13 LEU A 123 88.684 -1.114 -7.301 1.00 5.51 H new ATOM 0 HD21 LEU A 123 86.258 0.775 -7.138 1.00 5.24 H new ATOM 0 HD22 LEU A 123 86.146 -0.994 -6.979 1.00 5.24 H new ATOM 0 HD23 LEU A 123 85.498 0.058 -5.698 1.00 5.24 H new ATOM 265 N ALA A 124 84.600 -2.250 -4.925 1.00 5.38 N ATOM 266 CA ALA A 124 83.672 -3.287 -5.354 1.00 6.08 C ATOM 267 C ALA A 124 84.252 -4.094 -6.511 1.00 6.69 C ATOM 268 O ALA A 124 83.960 -3.823 -7.676 1.00 7.13 O ATOM 269 CB ALA A 124 82.339 -2.672 -5.753 1.00 6.38 C ATOM 0 H ALA A 124 84.379 -1.317 -5.273 1.00 5.38 H new ATOM 0 HA ALA A 124 83.509 -3.965 -4.516 1.00 6.08 H new ATOM 0 HB1 ALA A 124 81.656 -3.459 -6.071 1.00 6.38 H new ATOM 0 HB2 ALA A 124 81.912 -2.144 -4.900 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.493 -1.971 -6.574 1.00 6.38 H new ATOM 275 N LEU A 125 85.074 -5.084 -6.183 1.00 6.81 N ATOM 276 CA LEU A 125 85.696 -5.927 -7.198 1.00 7.42 C ATOM 277 C LEU A 125 84.671 -6.871 -7.826 1.00 8.16 C ATOM 278 O LEU A 125 84.058 -6.542 -8.842 1.00 8.46 O ATOM 279 CB LEU A 125 86.857 -6.721 -6.594 1.00 7.36 C ATOM 280 CG LEU A 125 88.219 -6.026 -6.657 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.326 -4.964 -5.575 1.00 6.96 C ATOM 282 CD2 LEU A 125 89.343 -7.044 -6.523 1.00 7.07 C ATOM 0 H LEU A 125 85.325 -5.323 -5.224 1.00 6.81 H new ATOM 0 HA LEU A 125 86.088 -5.281 -7.984 1.00 7.42 H new ATOM 0 HB2 LEU A 125 86.625 -6.938 -5.551 1.00 7.36 H new ATOM 0 HB3 LEU A 125 86.930 -7.678 -7.111 1.00 7.36 H new ATOM 0 HG LEU A 125 88.313 -5.537 -7.627 1.00 6.97 H new ATOM 0 HD11 LEU A 125 89.301 -4.480 -5.635 1.00 6.96 H new ATOM 0 HD12 LEU A 125 87.542 -4.220 -5.717 1.00 6.96 H new ATOM 0 HD13 LEU A 125 88.211 -5.429 -4.596 1.00 6.96 H new ATOM 0 HD21 LEU A 125 90.304 -6.533 -6.570 1.00 7.07 H new ATOM 0 HD22 LEU A 125 89.253 -7.561 -5.568 1.00 7.07 H new ATOM 0 HD23 LEU A 125 89.277 -7.768 -7.335 1.00 7.07 H new ATOM 294 N ARG A 126 84.486 -8.044 -7.217 1.00 8.60 N ATOM 295 CA ARG A 126 83.535 -9.033 -7.723 1.00 9.37 C ATOM 296 C ARG A 126 83.657 -9.190 -9.237 1.00 9.91 C ATOM 297 O ARG A 126 82.678 -9.483 -9.924 1.00 10.39 O ATOM 298 CB ARG A 126 82.106 -8.630 -7.353 1.00 9.55 C ATOM 299 CG ARG A 126 81.629 -9.225 -6.038 1.00 9.90 C ATOM 300 CD ARG A 126 80.134 -9.508 -6.061 1.00 10.24 C ATOM 301 NE ARG A 126 79.397 -8.628 -5.157 1.00 10.60 N ATOM 302 CZ ARG A 126 79.080 -7.368 -5.444 1.00 11.07 C ATOM 303 NH1 ARG A 126 79.436 -6.835 -6.606 1.00 11.25 N ATOM 304 NH2 ARG A 126 78.405 -6.639 -4.565 1.00 11.57 N ATOM 0 H ARG A 126 84.982 -8.331 -6.373 1.00 8.60 H new ATOM 0 HA ARG A 126 83.768 -9.992 -7.260 1.00 9.37 H new ATOM 0 HB2 ARG A 126 82.047 -7.543 -7.293 1.00 9.55 H new ATOM 0 HB3 ARG A 126 81.431 -8.942 -8.150 1.00 9.55 H new ATOM 0 HG2 ARG A 126 82.172 -10.149 -5.838 1.00 9.90 H new ATOM 0 HG3 ARG A 126 81.857 -8.538 -5.223 1.00 9.90 H new ATOM 0 HD2 ARG A 126 79.757 -9.383 -7.076 1.00 10.24 H new ATOM 0 HD3 ARG A 126 79.957 -10.546 -5.781 1.00 10.24 H new ATOM 0 HE ARG A 126 79.109 -9.002 -4.253 1.00 10.60 H new ATOM 0 HH11 ARG A 126 79.955 -7.392 -7.285 1.00 11.25 H new ATOM 0 HH12 ARG A 126 79.190 -5.869 -6.820 1.00 11.25 H new ATOM 0 HH21 ARG A 126 78.130 -7.044 -3.670 1.00 11.57 H new ATOM 0 HH22 ARG A 126 78.161 -5.673 -4.784 1.00 11.57 H new ATOM 318 N GLY A 127 84.867 -8.987 -9.748 1.00 9.94 N ATOM 319 CA GLY A 127 85.100 -9.103 -11.175 1.00 10.50 C ATOM 320 C GLY A 127 85.966 -7.978 -11.708 1.00 10.13 C ATOM 321 O GLY A 127 86.668 -8.144 -12.706 1.00 10.47 O ATOM 0 H GLY A 127 85.691 -8.744 -9.198 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.579 -10.059 -11.387 1.00 10.50 H new ATOM 0 HA3 GLY A 127 84.144 -9.102 -11.699 1.00 10.50 H new ATOM 325 N GLY A 128 85.917 -6.830 -11.037 1.00 9.48 N ATOM 326 CA GLY A 128 86.708 -5.689 -11.460 1.00 9.18 C ATOM 327 C GLY A 128 88.128 -5.744 -10.927 1.00 8.58 C ATOM 328 O GLY A 128 88.347 -6.134 -9.780 1.00 8.03 O ATOM 0 H GLY A 128 85.344 -6.671 -10.209 1.00 9.48 H new ATOM 0 HA2 GLY A 128 86.732 -5.650 -12.549 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.229 -4.771 -11.119 1.00 9.18 H new ATOM 332 N PRO A 129 89.126 -5.360 -11.742 1.00 8.71 N ATOM 333 CA PRO A 129 90.532 -5.378 -11.330 1.00 8.20 C ATOM 334 C PRO A 129 90.890 -4.222 -10.404 1.00 7.43 C ATOM 335 O PRO A 129 90.235 -3.179 -10.408 1.00 7.36 O ATOM 336 CB PRO A 129 91.286 -5.240 -12.653 1.00 8.64 C ATOM 337 CG PRO A 129 90.358 -4.481 -13.535 1.00 9.37 C ATOM 338 CD PRO A 129 88.964 -4.885 -13.131 1.00 9.42 C ATOM 0 HA PRO A 129 90.774 -6.279 -10.766 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.229 -4.709 -12.519 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.527 -6.215 -13.076 1.00 8.64 H new ATOM 0 HG2 PRO A 129 90.501 -3.407 -13.417 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.541 -4.714 -14.584 1.00 9.37 H new ATOM 0 HD2 PRO A 129 88.271 -4.046 -13.189 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.570 -5.668 -13.779 1.00 9.42 H new ATOM 346 N GLY A 130 91.947 -4.411 -9.622 1.00 6.90 N ATOM 347 CA GLY A 130 92.403 -3.385 -8.715 1.00 6.16 C ATOM 348 C GLY A 130 93.911 -3.302 -8.732 1.00 5.90 C ATOM 349 O GLY A 130 94.585 -4.325 -8.834 1.00 6.04 O ATOM 0 H GLY A 130 92.499 -5.269 -9.604 1.00 6.90 H new ATOM 0 HA2 GLY A 130 91.976 -2.423 -8.999 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.055 -3.602 -7.705 1.00 6.16 H new ATOM 353 N TRP A 131 94.447 -2.098 -8.666 1.00 5.60 N ATOM 354 CA TRP A 131 95.891 -1.925 -8.707 1.00 5.39 C ATOM 355 C TRP A 131 96.427 -1.366 -7.395 1.00 4.56 C ATOM 356 O TRP A 131 96.101 -0.247 -6.998 1.00 4.36 O ATOM 357 CB TRP A 131 96.260 -1.020 -9.877 1.00 5.91 C ATOM 358 CG TRP A 131 96.111 -1.699 -11.205 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.019 -2.384 -11.654 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.085 -1.764 -12.253 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.252 -2.872 -12.917 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.513 -2.503 -13.308 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.382 -1.268 -12.405 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.197 -2.758 -14.495 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.061 -1.522 -13.583 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.466 -2.260 -14.614 1.00 8.26 C ATOM 0 H TRP A 131 93.913 -1.233 -8.585 1.00 5.60 H new ATOM 0 HA TRP A 131 96.354 -2.902 -8.848 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.630 -0.131 -9.856 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.290 -0.683 -9.760 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.104 -2.522 -11.097 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.595 -3.419 -13.473 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.847 -0.696 -11.616 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.742 -3.328 -15.292 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.065 -1.146 -13.710 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.021 -2.440 -15.523 1.00 8.26 H new ATOM 377 N CYS A 132 97.253 -2.166 -6.727 1.00 4.17 N ATOM 378 CA CYS A 132 97.848 -1.779 -5.454 1.00 3.38 C ATOM 379 C CYS A 132 98.644 -0.486 -5.591 1.00 3.29 C ATOM 380 O CYS A 132 99.851 -0.512 -5.837 1.00 3.32 O ATOM 381 CB CYS A 132 98.752 -2.900 -4.943 1.00 3.20 C ATOM 382 SG CYS A 132 99.325 -2.675 -3.232 1.00 2.31 S ATOM 0 H CYS A 132 97.527 -3.094 -7.051 1.00 4.17 H new ATOM 0 HA CYS A 132 97.045 -1.607 -4.738 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.214 -3.845 -5.013 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.620 -2.978 -5.598 1.00 3.20 H new ATOM 387 N ASP A 133 97.963 0.644 -5.423 1.00 3.33 N ATOM 388 CA ASP A 133 98.604 1.953 -5.524 1.00 3.56 C ATOM 389 C ASP A 133 99.905 1.990 -4.725 1.00 3.14 C ATOM 390 O ASP A 133 100.841 2.708 -5.072 1.00 3.53 O ATOM 391 CB ASP A 133 97.656 3.049 -5.031 1.00 3.65 C ATOM 392 CG ASP A 133 96.560 3.359 -6.031 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.871 3.475 -7.235 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.390 3.484 -5.612 1.00 3.89 O ATOM 0 H ASP A 133 96.965 0.680 -5.216 1.00 3.33 H new ATOM 0 HA ASP A 133 98.841 2.132 -6.573 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.206 2.739 -4.088 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.227 3.955 -4.829 1.00 3.65 H new ATOM 399 N LEU A 134 99.951 1.202 -3.657 1.00 2.45 N ATOM 400 CA LEU A 134 101.130 1.129 -2.805 1.00 2.10 C ATOM 401 C LEU A 134 102.296 0.489 -3.560 1.00 2.27 C ATOM 402 O LEU A 134 103.385 1.057 -3.639 1.00 2.50 O ATOM 403 CB LEU A 134 100.796 0.334 -1.533 1.00 1.47 C ATOM 404 CG LEU A 134 101.958 -0.425 -0.878 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.569 0.396 0.248 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.482 -1.772 -0.361 1.00 1.35 C ATOM 0 H LEU A 134 99.181 0.602 -3.360 1.00 2.45 H new ATOM 0 HA LEU A 134 101.431 2.137 -2.519 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.381 1.024 -0.798 1.00 1.47 H new ATOM 0 HB3 LEU A 134 100.012 -0.384 -1.775 1.00 1.47 H new ATOM 0 HG LEU A 134 102.728 -0.595 -1.630 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.391 -0.160 0.699 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.944 1.338 -0.151 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.810 0.599 1.004 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.316 -2.300 0.101 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.695 -1.621 0.377 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.093 -2.363 -1.190 1.00 1.35 H new ATOM 418 N CYS A 135 102.055 -0.696 -4.109 1.00 2.35 N ATOM 419 CA CYS A 135 103.078 -1.421 -4.854 1.00 2.66 C ATOM 420 C CYS A 135 102.969 -1.135 -6.350 1.00 3.37 C ATOM 421 O CYS A 135 103.844 -0.495 -6.935 1.00 3.63 O ATOM 422 CB CYS A 135 102.957 -2.927 -4.602 1.00 2.75 C ATOM 423 SG CYS A 135 102.594 -3.373 -2.872 1.00 2.27 S ATOM 0 H CYS A 135 101.157 -1.177 -4.052 1.00 2.35 H new ATOM 0 HA CYS A 135 104.053 -1.079 -4.506 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.170 -3.328 -5.241 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.887 -3.409 -4.901 1.00 2.75 H new ATOM 428 N GLY A 136 101.891 -1.614 -6.961 1.00 3.77 N ATOM 429 CA GLY A 136 101.690 -1.401 -8.384 1.00 4.51 C ATOM 430 C GLY A 136 101.124 -2.622 -9.086 1.00 5.01 C ATOM 431 O GLY A 136 100.638 -2.525 -10.212 1.00 5.65 O ATOM 0 H GLY A 136 101.153 -2.145 -6.498 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.014 -0.558 -8.529 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.640 -1.131 -8.844 1.00 4.51 H new ATOM 435 N ARG A 137 101.188 -3.774 -8.423 1.00 4.84 N ATOM 436 CA ARG A 137 100.678 -5.015 -8.996 1.00 5.43 C ATOM 437 C ARG A 137 99.153 -5.043 -8.964 1.00 5.63 C ATOM 438 O ARG A 137 98.513 -4.080 -8.542 1.00 5.30 O ATOM 439 CB ARG A 137 101.239 -6.219 -8.239 1.00 5.35 C ATOM 440 CG ARG A 137 102.738 -6.398 -8.406 1.00 5.18 C ATOM 441 CD ARG A 137 103.289 -7.425 -7.429 1.00 5.55 C ATOM 442 NE ARG A 137 103.691 -6.815 -6.164 1.00 5.46 N ATOM 443 CZ ARG A 137 104.496 -7.404 -5.280 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.985 -8.614 -5.522 1.00 6.61 N ATOM 445 NH2 ARG A 137 104.813 -6.779 -4.155 1.00 6.15 N ATOM 0 H ARG A 137 101.588 -3.873 -7.490 1.00 4.84 H new ATOM 0 HA ARG A 137 101.002 -5.066 -10.036 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.011 -6.110 -7.179 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.733 -7.121 -8.583 1.00 5.35 H new ATOM 0 HG2 ARG A 137 102.957 -6.712 -9.427 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.239 -5.442 -8.252 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.533 -8.188 -7.240 1.00 5.55 H new ATOM 0 HD3 ARG A 137 104.145 -7.929 -7.877 1.00 5.55 H new ATOM 0 HE ARG A 137 103.335 -5.885 -5.945 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.745 -9.097 -6.388 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.601 -9.061 -4.842 1.00 6.61 H new ATOM 0 HH21 ARG A 137 104.441 -5.848 -3.966 1.00 6.15 H new ATOM 0 HH22 ARG A 137 105.429 -7.229 -3.478 1.00 6.15 H new ATOM 459 N GLU A 138 98.578 -6.154 -9.414 1.00 6.20 N ATOM 460 CA GLU A 138 97.128 -6.306 -9.436 1.00 6.47 C ATOM 461 C GLU A 138 96.621 -6.889 -8.122 1.00 6.14 C ATOM 462 O GLU A 138 97.131 -7.901 -7.640 1.00 6.19 O ATOM 463 CB GLU A 138 96.705 -7.200 -10.603 1.00 7.34 C ATOM 464 CG GLU A 138 97.220 -8.626 -10.496 1.00 8.03 C ATOM 465 CD GLU A 138 96.727 -9.509 -11.625 1.00 8.64 C ATOM 466 OE1 GLU A 138 96.387 -8.966 -12.698 1.00 9.02 O ATOM 467 OE2 GLU A 138 96.681 -10.743 -11.437 1.00 8.93 O ATOM 0 H GLU A 138 99.093 -6.960 -9.768 1.00 6.20 H new ATOM 0 HA GLU A 138 96.687 -5.318 -9.567 1.00 6.47 H new ATOM 0 HB2 GLU A 138 95.617 -7.219 -10.659 1.00 7.34 H new ATOM 0 HB3 GLU A 138 97.064 -6.762 -11.534 1.00 7.34 H new ATOM 0 HG2 GLU A 138 98.310 -8.616 -10.497 1.00 8.03 H new ATOM 0 HG3 GLU A 138 96.906 -9.051 -9.543 1.00 8.03 H new ATOM 474 N VAL A 139 95.613 -6.242 -7.546 1.00 5.87 N ATOM 475 CA VAL A 139 95.032 -6.689 -6.288 1.00 5.60 C ATOM 476 C VAL A 139 93.844 -7.615 -6.526 1.00 6.26 C ATOM 477 O VAL A 139 92.884 -7.251 -7.207 1.00 6.56 O ATOM 478 CB VAL A 139 94.587 -5.492 -5.421 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.757 -4.550 -5.168 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.427 -4.753 -6.073 1.00 5.14 C ATOM 0 H VAL A 139 95.181 -5.403 -7.933 1.00 5.87 H new ATOM 0 HA VAL A 139 95.807 -7.240 -5.756 1.00 5.60 H new ATOM 0 HB VAL A 139 94.244 -5.875 -4.460 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.424 -3.712 -4.555 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.551 -5.087 -4.648 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.135 -4.176 -6.119 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.131 -3.914 -5.444 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.735 -4.383 -7.051 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.583 -5.433 -6.192 1.00 5.14 H new ATOM 490 N LEU A 140 93.915 -8.816 -5.963 1.00 6.55 N ATOM 491 CA LEU A 140 92.847 -9.798 -6.114 1.00 7.22 C ATOM 492 C LEU A 140 91.707 -9.523 -5.139 1.00 6.99 C ATOM 493 O LEU A 140 90.569 -9.289 -5.548 1.00 7.24 O ATOM 494 CB LEU A 140 93.392 -11.211 -5.895 1.00 7.76 C ATOM 495 CG LEU A 140 93.855 -11.933 -7.165 1.00 8.26 C ATOM 496 CD1 LEU A 140 95.363 -12.125 -7.154 1.00 8.62 C ATOM 497 CD2 LEU A 140 93.147 -13.273 -7.309 1.00 8.78 C ATOM 0 H LEU A 140 94.702 -9.134 -5.397 1.00 6.55 H new ATOM 0 HA LEU A 140 92.457 -9.718 -7.129 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.230 -11.157 -5.200 1.00 7.76 H new ATOM 0 HB3 LEU A 140 92.619 -11.812 -5.416 1.00 7.76 H new ATOM 0 HG LEU A 140 93.595 -11.313 -8.023 1.00 8.26 H new ATOM 0 HD11 LEU A 140 95.671 -12.639 -8.064 1.00 8.62 H new ATOM 0 HD12 LEU A 140 95.853 -11.153 -7.103 1.00 8.62 H new ATOM 0 HD13 LEU A 140 95.648 -12.721 -6.287 1.00 8.62 H new ATOM 0 HD21 LEU A 140 93.490 -13.770 -8.217 1.00 8.78 H new ATOM 0 HD22 LEU A 140 93.373 -13.899 -6.446 1.00 8.78 H new ATOM 0 HD23 LEU A 140 92.071 -13.111 -7.368 1.00 8.78 H new ATOM 509 N ARG A 141 92.019 -9.556 -3.848 1.00 6.56 N ATOM 510 CA ARG A 141 91.021 -9.314 -2.813 1.00 6.36 C ATOM 511 C ARG A 141 90.560 -7.860 -2.823 1.00 5.74 C ATOM 512 O ARG A 141 91.186 -7.003 -3.448 1.00 5.48 O ATOM 513 CB ARG A 141 91.587 -9.670 -1.438 1.00 6.20 C ATOM 514 CG ARG A 141 90.522 -9.825 -0.364 1.00 6.87 C ATOM 515 CD ARG A 141 91.076 -10.505 0.877 1.00 7.11 C ATOM 516 NE ARG A 141 90.648 -9.839 2.104 1.00 7.57 N ATOM 517 CZ ARG A 141 91.219 -10.032 3.290 1.00 8.00 C ATOM 518 NH1 ARG A 141 92.241 -10.870 3.414 1.00 8.08 N ATOM 519 NH2 ARG A 141 90.767 -9.385 4.356 1.00 8.60 N ATOM 0 H ARG A 141 92.956 -9.748 -3.493 1.00 6.56 H new ATOM 0 HA ARG A 141 90.160 -9.949 -3.022 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.151 -10.600 -1.516 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.290 -8.895 -1.132 1.00 6.20 H new ATOM 0 HG2 ARG A 141 90.128 -8.844 -0.097 1.00 6.87 H new ATOM 0 HG3 ARG A 141 89.689 -10.407 -0.758 1.00 6.87 H new ATOM 0 HD2 ARG A 141 90.750 -11.545 0.896 1.00 7.11 H new ATOM 0 HD3 ARG A 141 92.165 -10.513 0.830 1.00 7.11 H new ATOM 0 HE ARG A 141 89.865 -9.187 2.049 1.00 7.57 H new ATOM 0 HH11 ARG A 141 92.593 -11.370 2.597 1.00 8.08 H new ATOM 0 HH12 ARG A 141 92.675 -11.014 4.326 1.00 8.08 H new ATOM 0 HH21 ARG A 141 89.982 -8.740 4.266 1.00 8.60 H new ATOM 0 HH22 ARG A 141 91.204 -9.533 5.266 1.00 8.60 H new ATOM 533 N GLN A 142 89.461 -7.589 -2.125 1.00 5.55 N ATOM 534 CA GLN A 142 88.916 -6.240 -2.050 1.00 4.97 C ATOM 535 C GLN A 142 89.928 -5.283 -1.431 1.00 4.20 C ATOM 536 O GLN A 142 90.000 -5.143 -0.210 1.00 3.88 O ATOM 537 CB GLN A 142 87.622 -6.234 -1.234 1.00 4.98 C ATOM 538 CG GLN A 142 86.456 -6.911 -1.936 1.00 5.49 C ATOM 539 CD GLN A 142 85.115 -6.542 -1.332 1.00 6.00 C ATOM 540 OE1 GLN A 142 84.997 -6.365 -0.119 1.00 6.30 O ATOM 541 NE2 GLN A 142 84.098 -6.425 -2.176 1.00 6.42 N ATOM 0 H GLN A 142 88.931 -8.287 -1.603 1.00 5.55 H new ATOM 0 HA GLN A 142 88.697 -5.904 -3.064 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.801 -6.733 -0.281 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.350 -5.203 -1.008 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.463 -6.636 -2.991 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.586 -7.992 -1.888 1.00 5.49 H new ATOM 0 HE21 GLN A 142 84.243 -6.581 -3.174 1.00 6.42 H new ATOM 0 HE22 GLN A 142 83.172 -6.179 -1.827 1.00 6.42 H new ATOM 550 N ALA A 143 90.709 -4.628 -2.282 1.00 4.01 N ATOM 551 CA ALA A 143 91.720 -3.685 -1.825 1.00 3.31 C ATOM 552 C ALA A 143 91.100 -2.577 -0.982 1.00 2.66 C ATOM 553 O ALA A 143 89.946 -2.198 -1.186 1.00 2.78 O ATOM 554 CB ALA A 143 92.462 -3.096 -3.014 1.00 3.47 C ATOM 0 H ALA A 143 90.660 -4.734 -3.295 1.00 4.01 H new ATOM 0 HA ALA A 143 92.429 -4.225 -1.197 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.216 -2.392 -2.660 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.947 -3.896 -3.573 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.756 -2.577 -3.662 1.00 3.47 H new ATOM 560 N LEU A 144 91.877 -2.058 -0.037 1.00 2.03 N ATOM 561 CA LEU A 144 91.412 -0.990 0.838 1.00 1.43 C ATOM 562 C LEU A 144 91.912 0.362 0.343 1.00 1.04 C ATOM 563 O LEU A 144 93.110 0.641 0.376 1.00 0.81 O ATOM 564 CB LEU A 144 91.893 -1.236 2.269 1.00 1.45 C ATOM 565 CG LEU A 144 91.160 -2.353 3.015 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.078 -3.006 4.035 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.911 -1.809 3.692 1.00 2.25 C ATOM 0 H LEU A 144 92.834 -2.361 0.142 1.00 2.03 H new ATOM 0 HA LEU A 144 90.322 -0.982 0.826 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.956 -1.474 2.243 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.787 -0.311 2.836 1.00 1.45 H new ATOM 0 HG LEU A 144 90.858 -3.110 2.291 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.539 -3.798 4.555 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.944 -3.430 3.526 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.411 -2.259 4.756 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.401 -2.616 4.218 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.192 -1.033 4.404 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.244 -1.388 2.940 1.00 2.25 H new ATOM 579 N ARG A 145 90.989 1.198 -0.128 1.00 1.33 N ATOM 580 CA ARG A 145 91.348 2.514 -0.644 1.00 1.75 C ATOM 581 C ARG A 145 91.000 3.619 0.344 1.00 1.84 C ATOM 582 O ARG A 145 89.853 4.054 0.427 1.00 2.07 O ATOM 583 CB ARG A 145 90.644 2.776 -1.975 1.00 2.50 C ATOM 584 CG ARG A 145 91.344 3.814 -2.839 1.00 3.14 C ATOM 585 CD ARG A 145 90.623 5.151 -2.802 1.00 3.82 C ATOM 586 NE ARG A 145 90.769 5.889 -4.054 1.00 4.39 N ATOM 587 CZ ARG A 145 90.066 5.630 -5.153 1.00 4.96 C ATOM 588 NH1 ARG A 145 89.164 4.654 -5.158 1.00 5.14 N ATOM 589 NH2 ARG A 145 90.263 6.347 -6.251 1.00 5.67 N ATOM 0 H ARG A 145 89.992 0.987 -0.162 1.00 1.33 H new ATOM 0 HA ARG A 145 92.427 2.520 -0.796 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.574 1.841 -2.530 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.624 3.107 -1.778 1.00 2.50 H new ATOM 0 HG2 ARG A 145 92.370 3.944 -2.494 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.396 3.457 -3.867 1.00 3.14 H new ATOM 0 HD2 ARG A 145 89.565 4.986 -2.600 1.00 3.82 H new ATOM 0 HD3 ARG A 145 91.014 5.751 -1.980 1.00 3.82 H new ATOM 0 HE ARG A 145 91.450 6.648 -4.087 1.00 4.39 H new ATOM 0 HH11 ARG A 145 89.008 4.099 -4.316 1.00 5.14 H new ATOM 0 HH12 ARG A 145 88.628 4.460 -6.004 1.00 5.14 H new ATOM 0 HH21 ARG A 145 90.954 7.097 -6.253 1.00 5.67 H new ATOM 0 HH22 ARG A 145 89.724 6.148 -7.094 1.00 5.67 H new ATOM 603 N CYS A 146 92.001 4.080 1.083 1.00 1.92 N ATOM 604 CA CYS A 146 91.795 5.148 2.051 1.00 2.46 C ATOM 605 C CYS A 146 91.818 6.501 1.345 1.00 3.20 C ATOM 606 O CYS A 146 92.828 7.205 1.359 1.00 3.63 O ATOM 607 CB CYS A 146 92.869 5.091 3.143 1.00 2.60 C ATOM 608 SG CYS A 146 92.947 6.568 4.211 1.00 3.57 S ATOM 0 H CYS A 146 92.959 3.733 1.031 1.00 1.92 H new ATOM 0 HA CYS A 146 90.821 5.016 2.522 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.687 4.217 3.768 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.841 4.949 2.671 1.00 2.60 H new ATOM 613 N ALA A 147 90.696 6.850 0.725 1.00 3.42 N ATOM 614 CA ALA A 147 90.574 8.112 0.002 1.00 4.19 C ATOM 615 C ALA A 147 90.856 9.319 0.897 1.00 4.75 C ATOM 616 O ALA A 147 90.975 10.444 0.410 1.00 5.41 O ATOM 617 CB ALA A 147 89.190 8.228 -0.618 1.00 4.35 C ATOM 0 H ALA A 147 89.854 6.274 0.708 1.00 3.42 H new ATOM 0 HA ALA A 147 91.326 8.111 -0.787 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.110 9.173 -1.155 1.00 4.35 H new ATOM 0 HB2 ALA A 147 89.032 7.402 -1.312 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.435 8.192 0.168 1.00 4.35 H new ATOM 623 N ASN A 148 90.961 9.091 2.204 1.00 4.58 N ATOM 624 CA ASN A 148 91.228 10.171 3.144 1.00 5.23 C ATOM 625 C ASN A 148 92.639 10.728 2.965 1.00 5.62 C ATOM 626 O ASN A 148 92.912 11.865 3.351 1.00 6.29 O ATOM 627 CB ASN A 148 91.033 9.688 4.582 1.00 5.11 C ATOM 628 CG ASN A 148 89.593 9.803 5.041 1.00 5.34 C ATOM 629 OD1 ASN A 148 88.679 9.942 4.227 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.383 9.747 6.350 1.00 5.41 N ATOM 0 H ASN A 148 90.865 8.171 2.633 1.00 4.58 H new ATOM 0 HA ASN A 148 90.519 10.973 2.938 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.354 8.649 4.660 1.00 5.11 H new ATOM 0 HB3 ASN A 148 91.671 10.270 5.247 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.434 9.820 6.718 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.170 9.631 6.988 1.00 5.41 H new ATOM 637 N CYS A 149 93.534 9.935 2.378 1.00 5.21 N ATOM 638 CA CYS A 149 94.906 10.383 2.162 1.00 5.54 C ATOM 639 C CYS A 149 95.716 9.353 1.384 1.00 5.02 C ATOM 640 O CYS A 149 96.405 9.691 0.421 1.00 5.26 O ATOM 641 CB CYS A 149 95.586 10.673 3.503 1.00 5.86 C ATOM 642 SG CYS A 149 95.293 9.404 4.776 1.00 5.35 S ATOM 0 H CYS A 149 93.336 8.991 2.047 1.00 5.21 H new ATOM 0 HA CYS A 149 94.865 11.298 1.570 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.660 10.768 3.341 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.234 11.635 3.876 1.00 5.86 H new ATOM 647 N LYS A 150 95.636 8.097 1.808 1.00 4.33 N ATOM 648 CA LYS A 150 96.373 7.024 1.152 1.00 3.79 C ATOM 649 C LYS A 150 95.704 6.627 -0.171 1.00 3.60 C ATOM 650 O LYS A 150 95.210 7.484 -0.902 1.00 4.14 O ATOM 651 CB LYS A 150 96.493 5.818 2.089 1.00 3.18 C ATOM 652 CG LYS A 150 96.829 6.189 3.525 1.00 3.63 C ATOM 653 CD LYS A 150 97.816 5.209 4.139 1.00 3.46 C ATOM 654 CE LYS A 150 99.128 5.177 3.370 1.00 3.65 C ATOM 655 NZ LYS A 150 100.292 5.503 4.240 1.00 3.87 N ATOM 0 H LYS A 150 95.069 7.797 2.601 1.00 4.33 H new ATOM 0 HA LYS A 150 97.375 7.384 0.920 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.554 5.265 2.076 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.263 5.148 1.707 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.248 7.195 3.553 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.916 6.208 4.120 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.008 5.487 5.175 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.378 4.211 4.153 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.268 4.189 2.932 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.082 5.887 2.545 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 101.141 5.023 3.878 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.449 6.531 4.239 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 100.100 5.183 5.211 1.00 3.87 H new ATOM 669 N PHE A 151 95.702 5.331 -0.479 1.00 2.95 N ATOM 670 CA PHE A 151 95.107 4.835 -1.717 1.00 2.98 C ATOM 671 C PHE A 151 94.644 3.385 -1.553 1.00 2.28 C ATOM 672 O PHE A 151 94.567 2.877 -0.433 1.00 1.66 O ATOM 673 CB PHE A 151 96.119 4.943 -2.865 1.00 3.44 C ATOM 674 CG PHE A 151 97.545 4.727 -2.441 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.873 3.713 -1.555 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.555 5.539 -2.931 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.184 3.514 -1.164 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.868 5.343 -2.542 1.00 3.41 C ATOM 679 CZ PHE A 151 100.182 4.331 -1.659 1.00 3.10 C ATOM 0 H PHE A 151 96.106 4.606 0.113 1.00 2.95 H new ATOM 0 HA PHE A 151 94.236 5.447 -1.952 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.863 4.212 -3.632 1.00 3.44 H new ATOM 0 HB3 PHE A 151 96.031 5.929 -3.322 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.096 3.071 -1.166 1.00 3.36 H new ATOM 0 HD2 PHE A 151 98.315 6.332 -3.623 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.428 2.721 -0.473 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.647 5.982 -2.930 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.207 4.177 -1.355 1.00 3.10 H new ATOM 689 N THR A 152 94.333 2.725 -2.670 1.00 2.56 N ATOM 690 CA THR A 152 93.876 1.337 -2.636 1.00 2.30 C ATOM 691 C THR A 152 95.057 0.373 -2.575 1.00 2.04 C ATOM 692 O THR A 152 95.688 0.079 -3.591 1.00 2.50 O ATOM 693 CB THR A 152 93.015 1.031 -3.862 1.00 3.04 C ATOM 694 OG1 THR A 152 92.669 -0.343 -3.901 1.00 3.69 O ATOM 695 CG2 THR A 152 93.692 1.370 -5.171 1.00 3.48 C ATOM 0 H THR A 152 94.389 3.128 -3.605 1.00 2.56 H new ATOM 0 HA THR A 152 93.276 1.202 -1.736 1.00 2.30 H new ATOM 0 HB THR A 152 92.131 1.660 -3.757 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.117 -0.519 -4.691 1.00 3.69 H new ATOM 0 HG21 THR A 152 93.025 1.128 -5.999 1.00 3.48 H new ATOM 0 HG22 THR A 152 93.927 2.434 -5.194 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.612 0.793 -5.265 1.00 3.48 H new ATOM 703 N CYS A 153 95.354 -0.109 -1.375 1.00 1.38 N ATOM 704 CA CYS A 153 96.462 -1.033 -1.172 1.00 1.29 C ATOM 705 C CYS A 153 95.971 -2.471 -1.043 1.00 1.85 C ATOM 706 O CYS A 153 94.778 -2.719 -0.868 1.00 2.08 O ATOM 707 CB CYS A 153 97.244 -0.642 0.085 1.00 0.64 C ATOM 708 SG CYS A 153 96.313 -0.825 1.625 1.00 1.36 S ATOM 0 H CYS A 153 94.841 0.126 -0.525 1.00 1.38 H new ATOM 0 HA CYS A 153 97.113 -0.972 -2.044 1.00 1.29 H new ATOM 0 HB2 CYS A 153 98.145 -1.253 0.143 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.567 0.395 -0.010 1.00 0.64 H new ATOM 0 HG CYS A 153 95.742 0.304 1.923 1.00 1.36 H new ATOM 714 N HIS A 154 96.904 -3.415 -1.117 1.00 2.20 N ATOM 715 CA HIS A 154 96.575 -4.830 -0.993 1.00 2.94 C ATOM 716 C HIS A 154 96.039 -5.125 0.405 1.00 3.04 C ATOM 717 O HIS A 154 96.373 -4.431 1.365 1.00 2.70 O ATOM 718 CB HIS A 154 97.811 -5.695 -1.260 1.00 3.32 C ATOM 719 CG HIS A 154 98.045 -6.004 -2.705 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.231 -5.680 -3.318 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.237 -6.618 -3.602 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.121 -6.100 -4.565 1.00 4.13 C ATOM 723 NE2 HIS A 154 97.929 -6.676 -4.787 1.00 4.64 N ATOM 0 H HIS A 154 97.895 -3.225 -1.262 1.00 2.20 H new ATOM 0 HA HIS A 154 95.809 -5.069 -1.731 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.689 -5.186 -0.862 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.710 -6.632 -0.712 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.240 -6.991 -3.420 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.893 -5.993 -5.313 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.601 -7.078 -5.665 1.00 4.64 H new ATOM 731 N SER A 155 95.211 -6.156 0.515 1.00 3.67 N ATOM 732 CA SER A 155 94.634 -6.536 1.800 1.00 3.98 C ATOM 733 C SER A 155 95.720 -6.728 2.857 1.00 4.20 C ATOM 734 O SER A 155 95.745 -6.026 3.868 1.00 4.08 O ATOM 735 CB SER A 155 93.817 -7.821 1.654 1.00 4.76 C ATOM 736 OG SER A 155 94.639 -8.907 1.262 1.00 5.02 O ATOM 0 H SER A 155 94.924 -6.744 -0.268 1.00 3.67 H new ATOM 0 HA SER A 155 93.979 -5.728 2.126 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.328 -8.054 2.600 1.00 4.76 H new ATOM 0 HB3 SER A 155 93.029 -7.673 0.916 1.00 4.76 H new ATOM 0 HG SER A 155 94.132 -9.743 1.331 1.00 5.02 H new ATOM 742 N GLU A 156 96.608 -7.686 2.618 1.00 4.69 N ATOM 743 CA GLU A 156 97.691 -7.979 3.552 1.00 5.06 C ATOM 744 C GLU A 156 98.699 -6.833 3.632 1.00 4.46 C ATOM 745 O GLU A 156 99.522 -6.790 4.546 1.00 4.76 O ATOM 746 CB GLU A 156 98.404 -9.269 3.140 1.00 5.69 C ATOM 747 CG GLU A 156 97.477 -10.467 3.026 1.00 6.28 C ATOM 748 CD GLU A 156 98.190 -11.782 3.269 1.00 6.92 C ATOM 749 OE1 GLU A 156 98.839 -12.287 2.329 1.00 7.29 O ATOM 750 OE2 GLU A 156 98.100 -12.308 4.399 1.00 7.31 O ATOM 0 H GLU A 156 96.600 -8.274 1.785 1.00 4.69 H new ATOM 0 HA GLU A 156 97.248 -8.103 4.540 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.899 -9.111 2.182 1.00 5.69 H new ATOM 0 HB3 GLU A 156 99.184 -9.492 3.868 1.00 5.69 H new ATOM 0 HG2 GLU A 156 96.663 -10.361 3.743 1.00 6.28 H new ATOM 0 HG3 GLU A 156 97.027 -10.480 2.033 1.00 6.28 H new ATOM 757 N CYS A 157 98.638 -5.908 2.678 1.00 3.72 N ATOM 758 CA CYS A 157 99.557 -4.774 2.662 1.00 3.15 C ATOM 759 C CYS A 157 99.129 -3.702 3.658 1.00 3.01 C ATOM 760 O CYS A 157 99.957 -2.940 4.157 1.00 3.02 O ATOM 761 CB CYS A 157 99.646 -4.175 1.259 1.00 2.51 C ATOM 762 SG CYS A 157 101.007 -4.847 0.248 1.00 2.62 S ATOM 0 H CYS A 157 97.966 -5.921 1.910 1.00 3.72 H new ATOM 0 HA CYS A 157 100.541 -5.141 2.955 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.703 -4.349 0.741 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.769 -3.095 1.344 1.00 2.51 H new ATOM 767 N ARG A 158 97.830 -3.644 3.945 1.00 3.04 N ATOM 768 CA ARG A 158 97.299 -2.657 4.884 1.00 3.06 C ATOM 769 C ARG A 158 98.086 -2.670 6.192 1.00 3.76 C ATOM 770 O ARG A 158 98.245 -1.636 6.843 1.00 3.88 O ATOM 771 CB ARG A 158 95.819 -2.930 5.160 1.00 3.18 C ATOM 772 CG ARG A 158 95.568 -4.228 5.912 1.00 3.57 C ATOM 773 CD ARG A 158 95.319 -3.976 7.390 1.00 4.14 C ATOM 774 NE ARG A 158 94.629 -5.096 8.027 1.00 4.64 N ATOM 775 CZ ARG A 158 93.371 -5.441 7.761 1.00 5.27 C ATOM 776 NH1 ARG A 158 92.663 -4.757 6.870 1.00 5.53 N ATOM 777 NH2 ARG A 158 92.820 -6.472 8.386 1.00 5.95 N ATOM 0 H ARG A 158 97.128 -4.266 3.543 1.00 3.04 H new ATOM 0 HA ARG A 158 97.400 -1.670 4.432 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.407 -2.101 5.735 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.281 -2.959 4.213 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.709 -4.740 5.479 1.00 3.57 H new ATOM 0 HG3 ARG A 158 96.426 -4.890 5.794 1.00 3.57 H new ATOM 0 HD2 ARG A 158 96.270 -3.802 7.894 1.00 4.14 H new ATOM 0 HD3 ARG A 158 94.725 -3.070 7.508 1.00 4.14 H new ATOM 0 HE ARG A 158 95.142 -5.646 8.716 1.00 4.64 H new ATOM 0 HH11 ARG A 158 93.083 -3.963 6.386 1.00 5.53 H new ATOM 0 HH12 ARG A 158 91.700 -5.025 6.670 1.00 5.53 H new ATOM 0 HH21 ARG A 158 93.360 -7.001 9.071 1.00 5.95 H new ATOM 0 HH22 ARG A 158 91.856 -6.736 8.182 1.00 5.95 H new ATOM 791 N SER A 159 98.574 -3.845 6.571 1.00 4.35 N ATOM 792 CA SER A 159 99.344 -3.995 7.800 1.00 5.07 C ATOM 793 C SER A 159 100.695 -3.289 7.697 1.00 5.04 C ATOM 794 O SER A 159 101.336 -3.010 8.709 1.00 5.56 O ATOM 795 CB SER A 159 99.553 -5.477 8.117 1.00 5.71 C ATOM 796 OG SER A 159 100.569 -5.653 9.088 1.00 6.02 O ATOM 0 H SER A 159 98.450 -4.709 6.044 1.00 4.35 H new ATOM 0 HA SER A 159 98.778 -3.531 8.608 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.620 -5.909 8.480 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.820 -6.013 7.206 1.00 5.71 H new ATOM 0 HG SER A 159 100.682 -6.609 9.274 1.00 6.02 H new ATOM 802 N LEU A 160 101.126 -3.007 6.469 1.00 4.50 N ATOM 803 CA LEU A 160 102.402 -2.338 6.245 1.00 4.49 C ATOM 804 C LEU A 160 102.234 -0.821 6.170 1.00 4.25 C ATOM 805 O LEU A 160 103.118 -0.116 5.681 1.00 4.39 O ATOM 806 CB LEU A 160 103.048 -2.852 4.958 1.00 4.13 C ATOM 807 CG LEU A 160 103.756 -4.204 5.084 1.00 4.38 C ATOM 808 CD1 LEU A 160 103.278 -5.162 4.003 1.00 4.84 C ATOM 809 CD2 LEU A 160 105.266 -4.028 5.014 1.00 4.59 C ATOM 0 H LEU A 160 100.611 -3.231 5.618 1.00 4.50 H new ATOM 0 HA LEU A 160 103.049 -2.565 7.092 1.00 4.49 H new ATOM 0 HB2 LEU A 160 102.279 -2.932 4.190 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.769 -2.112 4.611 1.00 4.13 H new ATOM 0 HG LEU A 160 103.506 -4.631 6.055 1.00 4.38 H new ATOM 0 HD11 LEU A 160 103.793 -6.117 4.110 1.00 4.84 H new ATOM 0 HD12 LEU A 160 102.204 -5.316 4.102 1.00 4.84 H new ATOM 0 HD13 LEU A 160 103.495 -4.740 3.021 1.00 4.84 H new ATOM 0 HD21 LEU A 160 105.750 -5.000 5.105 1.00 4.59 H new ATOM 0 HD22 LEU A 160 105.536 -3.577 4.059 1.00 4.59 H new ATOM 0 HD23 LEU A 160 105.595 -3.381 5.827 1.00 4.59 H new ATOM 821 N ILE A 161 101.102 -0.319 6.659 1.00 4.04 N ATOM 822 CA ILE A 161 100.838 1.114 6.643 1.00 4.02 C ATOM 823 C ILE A 161 101.163 1.744 7.993 1.00 4.66 C ATOM 824 O ILE A 161 100.372 1.663 8.934 1.00 4.65 O ATOM 825 CB ILE A 161 99.368 1.411 6.288 1.00 3.40 C ATOM 826 CG1 ILE A 161 98.959 0.647 5.028 1.00 2.89 C ATOM 827 CG2 ILE A 161 99.161 2.907 6.099 1.00 3.55 C ATOM 828 CD1 ILE A 161 99.730 1.058 3.793 1.00 2.37 C ATOM 0 H ILE A 161 100.357 -0.882 7.069 1.00 4.04 H new ATOM 0 HA ILE A 161 101.481 1.548 5.877 1.00 4.02 H new ATOM 0 HB ILE A 161 98.737 1.078 7.112 1.00 3.40 H new ATOM 0 HG12 ILE A 161 99.103 -0.420 5.198 1.00 2.89 H new ATOM 0 HG13 ILE A 161 97.895 0.801 4.850 1.00 2.89 H new ATOM 0 HG21 ILE A 161 98.118 3.101 5.849 1.00 3.55 H new ATOM 0 HG22 ILE A 161 99.416 3.429 7.021 1.00 3.55 H new ATOM 0 HG23 ILE A 161 99.800 3.264 5.291 1.00 3.55 H new ATOM 0 HD11 ILE A 161 99.387 0.475 2.939 1.00 2.37 H new ATOM 0 HD12 ILE A 161 99.566 2.118 3.598 1.00 2.37 H new ATOM 0 HD13 ILE A 161 100.793 0.878 3.951 1.00 2.37 H new ATOM 840 N GLN A 162 102.333 2.367 8.084 1.00 5.30 N ATOM 841 CA GLN A 162 102.765 3.008 9.321 1.00 6.01 C ATOM 842 C GLN A 162 102.619 4.523 9.234 1.00 6.16 C ATOM 843 O GLN A 162 103.385 5.267 9.846 1.00 6.76 O ATOM 844 CB GLN A 162 104.219 2.641 9.626 1.00 6.80 C ATOM 845 CG GLN A 162 105.192 3.043 8.529 1.00 6.97 C ATOM 846 CD GLN A 162 106.237 4.033 9.008 1.00 7.56 C ATOM 847 OE1 GLN A 162 107.098 3.698 9.822 1.00 8.05 O ATOM 848 NE2 GLN A 162 106.167 5.259 8.503 1.00 7.77 N ATOM 0 H GLN A 162 103.000 2.442 7.316 1.00 5.30 H new ATOM 0 HA GLN A 162 102.127 2.648 10.128 1.00 6.01 H new ATOM 0 HB2 GLN A 162 104.518 3.120 10.558 1.00 6.80 H new ATOM 0 HB3 GLN A 162 104.288 1.565 9.784 1.00 6.80 H new ATOM 0 HG2 GLN A 162 105.690 2.152 8.146 1.00 6.97 H new ATOM 0 HG3 GLN A 162 104.637 3.480 7.699 1.00 6.97 H new ATOM 0 HE21 GLN A 162 105.436 5.493 7.831 1.00 7.77 H new ATOM 0 HE22 GLN A 162 106.844 5.967 8.787 1.00 7.77 H new ATOM 857 N LEU A 163 101.631 4.977 8.469 1.00 5.80 N ATOM 858 CA LEU A 163 101.386 6.404 8.303 1.00 6.11 C ATOM 859 C LEU A 163 100.010 6.788 8.838 1.00 6.27 C ATOM 860 O LEU A 163 99.023 6.092 8.595 1.00 6.00 O ATOM 861 CB LEU A 163 101.499 6.796 6.828 1.00 5.81 C ATOM 862 CG LEU A 163 102.032 8.205 6.571 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.460 8.336 7.075 1.00 6.32 C ATOM 864 CD2 LEU A 163 101.955 8.540 5.090 1.00 6.57 C ATOM 0 H LEU A 163 100.987 4.376 7.954 1.00 5.80 H new ATOM 0 HA LEU A 163 102.141 6.943 8.874 1.00 6.11 H new ATOM 0 HB2 LEU A 163 102.151 6.081 6.327 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.515 6.707 6.368 1.00 5.81 H new ATOM 0 HG LEU A 163 101.410 8.914 7.117 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.822 9.346 6.883 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.487 8.138 8.147 1.00 6.32 H new ATOM 0 HD13 LEU A 163 104.096 7.618 6.557 1.00 6.32 H new ATOM 0 HD21 LEU A 163 102.338 9.547 4.924 1.00 6.57 H new ATOM 0 HD22 LEU A 163 102.553 7.826 4.524 1.00 6.57 H new ATOM 0 HD23 LEU A 163 100.918 8.488 4.759 1.00 6.57 H new ATOM 876 N ASP A 164 99.952 7.897 9.567 1.00 6.82 N ATOM 877 CA ASP A 164 98.697 8.373 10.137 1.00 7.11 C ATOM 878 C ASP A 164 97.921 9.207 9.124 1.00 6.85 C ATOM 879 O ASP A 164 98.501 9.773 8.198 1.00 6.80 O ATOM 880 CB ASP A 164 98.964 9.195 11.399 1.00 7.92 C ATOM 881 CG ASP A 164 98.810 8.377 12.665 1.00 8.46 C ATOM 882 OD1 ASP A 164 99.505 7.346 12.793 1.00 8.87 O ATOM 883 OD2 ASP A 164 97.995 8.765 13.528 1.00 8.71 O ATOM 0 H ASP A 164 100.760 8.483 9.777 1.00 6.82 H new ATOM 0 HA ASP A 164 98.094 7.504 10.401 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.973 9.605 11.355 1.00 7.92 H new ATOM 0 HB3 ASP A 164 98.277 10.041 11.430 1.00 7.92 H new ATOM 888 N CYS A 165 96.609 9.277 9.306 1.00 6.77 N ATOM 889 CA CYS A 165 95.754 10.043 8.408 1.00 6.61 C ATOM 890 C CYS A 165 96.146 11.513 8.404 1.00 7.27 C ATOM 891 O CYS A 165 95.905 12.239 9.368 1.00 7.79 O ATOM 892 CB CYS A 165 94.289 9.894 8.811 1.00 6.46 C ATOM 893 SG CYS A 165 93.136 9.796 7.403 1.00 5.92 S ATOM 0 H CYS A 165 96.113 8.813 10.067 1.00 6.77 H new ATOM 0 HA CYS A 165 95.886 9.649 7.400 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.180 8.996 9.419 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.008 10.740 9.439 1.00 6.46 H new ATOM 898 N ARG A 166 96.756 11.940 7.308 1.00 7.27 N ATOM 899 CA ARG A 166 97.192 13.323 7.160 1.00 7.93 C ATOM 900 C ARG A 166 96.174 14.132 6.363 1.00 8.10 C ATOM 901 O ARG A 166 95.766 15.211 6.788 1.00 0.00 O ATOM 902 CB ARG A 166 98.558 13.379 6.471 1.00 7.96 C ATOM 903 CG ARG A 166 99.575 12.416 7.061 1.00 7.80 C ATOM 904 CD ARG A 166 100.973 13.014 7.063 1.00 8.18 C ATOM 905 NE ARG A 166 101.116 14.068 8.064 1.00 8.38 N ATOM 906 CZ ARG A 166 101.271 13.838 9.366 1.00 8.69 C ATOM 907 NH1 ARG A 166 101.304 12.595 9.829 1.00 8.85 N ATOM 908 NH2 ARG A 166 101.393 14.855 10.208 1.00 9.07 N ATOM 0 H ARG A 166 96.961 11.347 6.504 1.00 7.27 H new ATOM 0 HA ARG A 166 97.277 13.759 8.155 1.00 7.93 H new ATOM 0 HB2 ARG A 166 98.431 13.157 5.412 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.949 14.394 6.539 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.286 12.160 8.080 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.575 11.489 6.487 1.00 7.80 H new ATOM 0 HD2 ARG A 166 101.703 12.228 7.257 1.00 8.18 H new ATOM 0 HD3 ARG A 166 101.195 13.419 6.076 1.00 8.18 H new ATOM 0 HE ARG A 166 101.096 15.037 7.747 1.00 8.38 H new ATOM 0 HH11 ARG A 166 101.210 11.809 9.186 1.00 8.85 H new ATOM 0 HH12 ARG A 166 101.423 12.426 10.828 1.00 8.85 H new ATOM 0 HH21 ARG A 166 101.368 15.813 9.858 1.00 9.07 H new ATOM 0 HH22 ARG A 166 101.512 14.680 11.206 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.523 -4.480 -1.972 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.736 7.981 6.124 1.00 4.87 ZN