USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=5 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= -1.99 K(o=-2,f=-12!) USER MOD Single : A 142 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.027) USER MOD Single : A 148 ASN : amide:sc= -0.074 X(o=-0.074,f=-0.53) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.984 USER MOD Single : A 153 CYS SG : rot -15:sc= -3.06 USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 74.632 5.820 0.661 1.00 10.33 N ATOM 2 CA PRO A 108 74.223 4.925 1.775 1.00 9.87 C ATOM 3 C PRO A 108 74.468 5.570 3.137 1.00 9.14 C ATOM 4 O PRO A 108 75.489 6.224 3.351 1.00 9.03 O ATOM 5 CB PRO A 108 75.027 3.634 1.645 1.00 10.34 C ATOM 6 CG PRO A 108 75.765 3.784 0.357 1.00 11.01 C ATOM 7 CD PRO A 108 75.876 5.267 0.100 1.00 10.96 C ATOM 0 HA PRO A 108 73.153 4.726 1.711 1.00 9.87 H new ATOM 0 HB2 PRO A 108 75.712 3.507 2.483 1.00 10.34 H new ATOM 0 HB3 PRO A 108 74.376 2.760 1.630 1.00 10.34 H new ATOM 0 HG2 PRO A 108 76.752 3.326 0.419 1.00 11.01 H new ATOM 0 HG3 PRO A 108 75.234 3.288 -0.455 1.00 11.01 H new ATOM 0 HD2 PRO A 108 76.755 5.691 0.584 1.00 10.96 H new ATOM 0 HD3 PRO A 108 75.964 5.482 -0.965 1.00 10.96 H new ATOM 17 N ARG A 109 73.525 5.380 4.055 1.00 8.91 N ATOM 18 CA ARG A 109 73.640 5.943 5.395 1.00 8.49 C ATOM 19 C ARG A 109 74.483 5.042 6.292 1.00 7.86 C ATOM 20 O ARG A 109 75.311 5.523 7.067 1.00 7.78 O ATOM 21 CB ARG A 109 72.250 6.138 6.009 1.00 8.84 C ATOM 22 CG ARG A 109 71.515 7.354 5.475 1.00 9.50 C ATOM 23 CD ARG A 109 70.676 7.008 4.256 1.00 10.20 C ATOM 24 NE ARG A 109 70.111 8.198 3.624 1.00 10.78 N ATOM 25 CZ ARG A 109 70.795 9.006 2.818 1.00 11.32 C ATOM 26 NH1 ARG A 109 72.070 8.758 2.546 1.00 11.37 N ATOM 27 NH2 ARG A 109 70.204 10.067 2.287 1.00 12.00 N ATOM 0 H ARG A 109 72.674 4.841 3.895 1.00 8.91 H new ATOM 0 HA ARG A 109 74.134 6.911 5.316 1.00 8.49 H new ATOM 0 HB2 ARG A 109 71.650 5.248 5.818 1.00 8.84 H new ATOM 0 HB3 ARG A 109 72.349 6.230 7.091 1.00 8.84 H new ATOM 0 HG2 ARG A 109 70.873 7.764 6.255 1.00 9.50 H new ATOM 0 HG3 ARG A 109 72.235 8.130 5.214 1.00 9.50 H new ATOM 0 HD2 ARG A 109 71.291 6.471 3.533 1.00 10.20 H new ATOM 0 HD3 ARG A 109 69.870 6.336 4.550 1.00 10.20 H new ATOM 0 HE ARG A 109 69.134 8.423 3.812 1.00 10.78 H new ATOM 0 HH11 ARG A 109 72.530 7.945 2.955 1.00 11.37 H new ATOM 0 HH12 ARG A 109 72.590 9.380 1.927 1.00 11.37 H new ATOM 0 HH21 ARG A 109 69.225 10.264 2.496 1.00 12.00 H new ATOM 0 HH22 ARG A 109 70.728 10.687 1.669 1.00 12.00 H new ATOM 41 N VAL A 110 74.268 3.737 6.182 1.00 7.68 N ATOM 42 CA VAL A 110 75.008 2.770 6.982 1.00 7.34 C ATOM 43 C VAL A 110 76.396 2.522 6.396 1.00 6.54 C ATOM 44 O VAL A 110 76.668 1.460 5.836 1.00 6.26 O ATOM 45 CB VAL A 110 74.250 1.430 7.085 1.00 7.82 C ATOM 46 CG1 VAL A 110 74.019 0.835 5.704 1.00 8.21 C ATOM 47 CG2 VAL A 110 75.003 0.453 7.978 1.00 8.46 C ATOM 0 H VAL A 110 73.586 3.324 5.546 1.00 7.68 H new ATOM 0 HA VAL A 110 75.112 3.193 7.981 1.00 7.34 H new ATOM 0 HB VAL A 110 73.277 1.622 7.538 1.00 7.82 H new ATOM 0 HG11 VAL A 110 73.483 -0.109 5.800 1.00 8.21 H new ATOM 0 HG12 VAL A 110 73.429 1.528 5.103 1.00 8.21 H new ATOM 0 HG13 VAL A 110 74.979 0.660 5.218 1.00 8.21 H new ATOM 0 HG21 VAL A 110 74.451 -0.485 8.037 1.00 8.46 H new ATOM 0 HG22 VAL A 110 75.992 0.267 7.560 1.00 8.46 H new ATOM 0 HG23 VAL A 110 75.105 0.877 8.977 1.00 8.46 H new ATOM 57 N LEU A 111 77.273 3.512 6.529 1.00 6.49 N ATOM 58 CA LEU A 111 78.634 3.404 6.014 1.00 6.05 C ATOM 59 C LEU A 111 79.362 2.218 6.641 1.00 5.68 C ATOM 60 O LEU A 111 78.819 1.532 7.508 1.00 6.10 O ATOM 61 CB LEU A 111 79.406 4.698 6.284 1.00 6.60 C ATOM 62 CG LEU A 111 80.236 5.214 5.104 1.00 6.95 C ATOM 63 CD1 LEU A 111 79.555 6.410 4.456 1.00 7.53 C ATOM 64 CD2 LEU A 111 81.642 5.580 5.556 1.00 7.37 C ATOM 0 H LEU A 111 77.066 4.398 6.989 1.00 6.49 H new ATOM 0 HA LEU A 111 78.578 3.241 4.938 1.00 6.05 H new ATOM 0 HB2 LEU A 111 78.697 5.472 6.576 1.00 6.60 H new ATOM 0 HB3 LEU A 111 80.070 4.537 7.133 1.00 6.60 H new ATOM 0 HG LEU A 111 80.311 4.417 4.364 1.00 6.95 H new ATOM 0 HD11 LEU A 111 80.158 6.763 3.620 1.00 7.53 H new ATOM 0 HD12 LEU A 111 78.570 6.116 4.094 1.00 7.53 H new ATOM 0 HD13 LEU A 111 79.448 7.209 5.189 1.00 7.53 H new ATOM 0 HD21 LEU A 111 82.215 5.944 4.703 1.00 7.37 H new ATOM 0 HD22 LEU A 111 81.588 6.359 6.317 1.00 7.37 H new ATOM 0 HD23 LEU A 111 82.131 4.699 5.972 1.00 7.37 H new ATOM 76 N ALA A 112 80.593 1.985 6.198 1.00 5.15 N ATOM 77 CA ALA A 112 81.394 0.883 6.716 1.00 4.90 C ATOM 78 C ALA A 112 81.893 1.184 8.125 1.00 5.28 C ATOM 79 O ALA A 112 81.528 2.197 8.721 1.00 5.66 O ATOM 80 CB ALA A 112 82.567 0.603 5.787 1.00 4.47 C ATOM 0 H ALA A 112 81.057 2.544 5.482 1.00 5.15 H new ATOM 0 HA ALA A 112 80.762 -0.004 6.764 1.00 4.90 H new ATOM 0 HB1 ALA A 112 83.158 -0.222 6.185 1.00 4.47 H new ATOM 0 HB2 ALA A 112 82.193 0.338 4.798 1.00 4.47 H new ATOM 0 HB3 ALA A 112 83.192 1.493 5.712 1.00 4.47 H new ATOM 86 N GLU A 113 82.728 0.295 8.655 1.00 5.43 N ATOM 87 CA GLU A 113 83.276 0.464 9.996 1.00 5.94 C ATOM 88 C GLU A 113 84.055 1.772 10.105 1.00 6.10 C ATOM 89 O GLU A 113 84.913 2.067 9.271 1.00 6.17 O ATOM 90 CB GLU A 113 84.185 -0.714 10.352 1.00 6.32 C ATOM 91 CG GLU A 113 84.627 -0.725 11.806 1.00 6.89 C ATOM 92 CD GLU A 113 85.611 -1.839 12.107 1.00 7.44 C ATOM 93 OE1 GLU A 113 85.462 -2.935 11.530 1.00 7.69 O ATOM 94 OE2 GLU A 113 86.534 -1.613 12.920 1.00 7.92 O ATOM 0 H GLU A 113 83.040 -0.550 8.176 1.00 5.43 H new ATOM 0 HA GLU A 113 82.444 0.497 10.699 1.00 5.94 H new ATOM 0 HB2 GLU A 113 83.662 -1.645 10.133 1.00 6.32 H new ATOM 0 HB3 GLU A 113 85.068 -0.687 9.713 1.00 6.32 H new ATOM 0 HG2 GLU A 113 85.083 0.234 12.051 1.00 6.89 H new ATOM 0 HG3 GLU A 113 83.752 -0.834 12.447 1.00 6.89 H new ATOM 101 N ARG A 114 83.751 2.551 11.137 1.00 6.45 N ATOM 102 CA ARG A 114 84.423 3.827 11.354 1.00 6.82 C ATOM 103 C ARG A 114 85.791 3.621 11.996 1.00 6.52 C ATOM 104 O ARG A 114 85.971 2.726 12.823 1.00 6.48 O ATOM 105 CB ARG A 114 83.564 4.735 12.236 1.00 7.39 C ATOM 106 CG ARG A 114 83.905 6.210 12.104 1.00 8.23 C ATOM 107 CD ARG A 114 82.706 7.093 12.418 1.00 8.84 C ATOM 108 NE ARG A 114 82.379 7.987 11.311 1.00 9.52 N ATOM 109 CZ ARG A 114 81.375 8.861 11.336 1.00 10.11 C ATOM 110 NH1 ARG A 114 80.597 8.959 12.407 1.00 10.12 N ATOM 111 NH2 ARG A 114 81.148 9.639 10.285 1.00 10.88 N ATOM 0 H ARG A 114 83.044 2.322 11.836 1.00 6.45 H new ATOM 0 HA ARG A 114 84.566 4.303 10.384 1.00 6.82 H new ATOM 0 HB2 ARG A 114 82.515 4.589 11.980 1.00 7.39 H new ATOM 0 HB3 ARG A 114 83.683 4.435 13.277 1.00 7.39 H new ATOM 0 HG2 ARG A 114 84.725 6.456 12.778 1.00 8.23 H new ATOM 0 HG3 ARG A 114 84.253 6.414 11.091 1.00 8.23 H new ATOM 0 HD2 ARG A 114 81.844 6.466 12.644 1.00 8.84 H new ATOM 0 HD3 ARG A 114 82.914 7.683 13.311 1.00 8.84 H new ATOM 0 HE ARG A 114 82.953 7.939 10.469 1.00 9.52 H new ATOM 0 HH11 ARG A 114 80.767 8.363 13.217 1.00 10.12 H new ATOM 0 HH12 ARG A 114 79.829 9.631 12.420 1.00 10.12 H new ATOM 0 HH21 ARG A 114 81.742 9.567 9.459 1.00 10.88 H new ATOM 0 HH22 ARG A 114 80.379 10.309 10.303 1.00 10.88 H new ATOM 125 N GLY A 115 86.751 4.453 11.610 1.00 6.59 N ATOM 126 CA GLY A 115 88.092 4.344 12.158 1.00 6.53 C ATOM 127 C GLY A 115 88.629 5.675 12.643 1.00 6.78 C ATOM 128 O GLY A 115 88.371 6.715 12.037 1.00 6.99 O ATOM 0 H GLY A 115 86.626 5.201 10.928 1.00 6.59 H new ATOM 0 HA2 GLY A 115 88.087 3.634 12.985 1.00 6.53 H new ATOM 0 HA3 GLY A 115 88.761 3.941 11.397 1.00 6.53 H new ATOM 132 N GLU A 116 89.378 5.644 13.741 1.00 6.92 N ATOM 133 CA GLU A 116 89.954 6.857 14.309 1.00 7.28 C ATOM 134 C GLU A 116 90.879 7.544 13.309 1.00 7.01 C ATOM 135 O GLU A 116 90.991 8.770 13.292 1.00 7.37 O ATOM 136 CB GLU A 116 90.723 6.531 15.590 1.00 7.73 C ATOM 137 CG GLU A 116 89.878 6.631 16.850 1.00 8.27 C ATOM 138 CD GLU A 116 90.713 6.845 18.097 1.00 8.72 C ATOM 139 OE1 GLU A 116 91.648 7.674 18.051 1.00 9.05 O ATOM 140 OE2 GLU A 116 90.434 6.185 19.119 1.00 8.96 O ATOM 0 H GLU A 116 89.600 4.791 14.255 1.00 6.92 H new ATOM 0 HA GLU A 116 89.137 7.538 14.546 1.00 7.28 H new ATOM 0 HB2 GLU A 116 91.128 5.522 15.514 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.572 7.210 15.677 1.00 7.73 H new ATOM 0 HG2 GLU A 116 89.172 7.454 16.745 1.00 8.27 H new ATOM 0 HG3 GLU A 116 89.291 5.720 16.962 1.00 8.27 H new ATOM 147 N GLY A 117 91.540 6.746 12.476 1.00 6.59 N ATOM 148 CA GLY A 117 92.446 7.294 11.485 1.00 6.40 C ATOM 149 C GLY A 117 92.055 6.925 10.068 1.00 5.64 C ATOM 150 O GLY A 117 91.074 7.441 9.533 1.00 5.49 O ATOM 0 H GLY A 117 91.464 5.729 12.470 1.00 6.59 H new ATOM 0 HA2 GLY A 117 92.469 8.380 11.580 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.456 6.935 11.684 1.00 6.40 H new ATOM 154 N HIS A 118 92.823 6.026 9.458 1.00 5.19 N ATOM 155 CA HIS A 118 92.551 5.587 8.095 1.00 4.46 C ATOM 156 C HIS A 118 91.206 4.873 8.010 1.00 4.06 C ATOM 157 O HIS A 118 90.932 3.950 8.778 1.00 4.20 O ATOM 158 CB HIS A 118 93.664 4.660 7.605 1.00 4.14 C ATOM 159 CG HIS A 118 94.929 5.378 7.250 1.00 4.36 C ATOM 160 ND1 HIS A 118 94.961 6.742 7.100 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.170 4.879 7.027 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.209 7.045 6.794 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.980 5.947 6.737 1.00 4.60 N ATOM 0 H HIS A 118 93.638 5.588 9.887 1.00 5.19 H new ATOM 0 HA HIS A 118 92.514 6.470 7.457 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.879 3.923 8.379 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.310 4.111 6.732 1.00 4.14 H new ATOM 0 HD1 HIS A 118 94.180 7.390 7.204 1.00 4.82 H new ATOM 0 HD2 HIS A 118 96.464 3.841 7.070 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.565 8.048 6.613 1.00 4.97 H new ATOM 171 N ARG A 119 90.372 5.303 7.070 1.00 3.68 N ATOM 172 CA ARG A 119 89.057 4.699 6.882 1.00 3.29 C ATOM 173 C ARG A 119 89.135 3.534 5.903 1.00 2.55 C ATOM 174 O ARG A 119 88.512 2.493 6.111 1.00 2.42 O ATOM 175 CB ARG A 119 88.060 5.744 6.377 1.00 3.40 C ATOM 176 CG ARG A 119 88.399 6.293 5.000 1.00 3.29 C ATOM 177 CD ARG A 119 87.643 7.581 4.712 1.00 3.67 C ATOM 178 NE ARG A 119 86.539 7.372 3.780 1.00 3.86 N ATOM 179 CZ ARG A 119 85.519 8.216 3.634 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.462 9.328 4.358 1.00 4.64 N ATOM 181 NH2 ARG A 119 84.556 7.949 2.764 1.00 4.88 N ATOM 0 H ARG A 119 90.582 6.066 6.427 1.00 3.68 H new ATOM 0 HA ARG A 119 88.714 4.320 7.845 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.065 5.300 6.347 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.020 6.569 7.088 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.471 6.477 4.934 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.156 5.550 4.241 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.257 7.991 5.645 1.00 3.67 H new ATOM 0 HD3 ARG A 119 88.330 8.320 4.300 1.00 3.67 H new ATOM 0 HE ARG A 119 86.549 6.529 3.206 1.00 3.86 H new ATOM 0 HH11 ARG A 119 86.201 9.538 5.029 1.00 4.64 H new ATOM 0 HH12 ARG A 119 84.679 9.972 4.243 1.00 4.64 H new ATOM 0 HH21 ARG A 119 84.595 7.096 2.205 1.00 4.88 H new ATOM 0 HH22 ARG A 119 83.775 8.596 2.653 1.00 4.88 H new ATOM 195 N PHE A 120 89.909 3.716 4.838 1.00 2.20 N ATOM 196 CA PHE A 120 90.075 2.682 3.824 1.00 1.52 C ATOM 197 C PHE A 120 88.728 2.235 3.264 1.00 1.27 C ATOM 198 O PHE A 120 88.019 1.447 3.887 1.00 1.46 O ATOM 199 CB PHE A 120 90.814 1.479 4.410 1.00 1.60 C ATOM 200 CG PHE A 120 92.299 1.679 4.528 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.095 1.742 3.397 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.897 1.801 5.773 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.461 1.924 3.503 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.262 1.983 5.885 1.00 2.70 C ATOM 205 CZ PHE A 120 95.046 2.045 4.749 1.00 2.25 C ATOM 0 H PHE A 120 90.432 4.572 4.655 1.00 2.20 H new ATOM 0 HA PHE A 120 90.662 3.106 3.009 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.407 1.259 5.397 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.623 0.607 3.785 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.643 1.648 2.421 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.289 1.753 6.665 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.071 1.972 2.613 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.716 2.077 6.860 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.113 2.188 4.835 1.00 2.25 H new ATOM 215 N VAL A 121 88.388 2.738 2.085 1.00 1.28 N ATOM 216 CA VAL A 121 87.128 2.385 1.440 1.00 1.47 C ATOM 217 C VAL A 121 87.310 1.182 0.520 1.00 1.73 C ATOM 218 O VAL A 121 87.903 1.293 -0.552 1.00 2.05 O ATOM 219 CB VAL A 121 86.553 3.556 0.620 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.072 3.340 0.348 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.783 4.881 1.332 1.00 2.59 C ATOM 0 H VAL A 121 88.965 3.391 1.555 1.00 1.28 H new ATOM 0 HA VAL A 121 86.426 2.140 2.237 1.00 1.47 H new ATOM 0 HB VAL A 121 87.076 3.592 -0.336 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.683 4.177 -0.232 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.936 2.415 -0.213 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.534 3.273 1.294 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.368 5.692 0.734 1.00 2.59 H new ATOM 0 HG22 VAL A 121 86.293 4.861 2.305 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.853 5.040 1.468 1.00 2.59 H new ATOM 231 N GLU A 122 86.795 0.036 0.948 1.00 1.96 N ATOM 232 CA GLU A 122 86.901 -1.191 0.165 1.00 2.61 C ATOM 233 C GLU A 122 86.287 -1.011 -1.221 1.00 3.15 C ATOM 234 O GLU A 122 85.257 -0.356 -1.374 1.00 3.31 O ATOM 235 CB GLU A 122 86.214 -2.348 0.894 1.00 3.09 C ATOM 236 CG GLU A 122 84.713 -2.167 1.055 1.00 3.41 C ATOM 237 CD GLU A 122 84.348 -1.408 2.315 1.00 3.75 C ATOM 238 OE1 GLU A 122 84.330 -2.030 3.399 1.00 4.17 O ATOM 239 OE2 GLU A 122 84.079 -0.192 2.219 1.00 4.00 O ATOM 0 H GLU A 122 86.299 -0.070 1.833 1.00 1.96 H new ATOM 0 HA GLU A 122 87.959 -1.423 0.045 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.403 -3.272 0.348 1.00 3.09 H new ATOM 0 HB3 GLU A 122 86.665 -2.463 1.880 1.00 3.09 H new ATOM 0 HG2 GLU A 122 84.320 -1.635 0.189 1.00 3.41 H new ATOM 0 HG3 GLU A 122 84.233 -3.145 1.073 1.00 3.41 H new ATOM 246 N LEU A 123 86.929 -1.598 -2.226 1.00 3.56 N ATOM 247 CA LEU A 123 86.448 -1.503 -3.598 1.00 4.25 C ATOM 248 C LEU A 123 85.630 -2.738 -3.970 1.00 4.92 C ATOM 249 O LEU A 123 86.159 -3.848 -4.035 1.00 5.12 O ATOM 250 CB LEU A 123 87.630 -1.339 -4.557 1.00 4.48 C ATOM 251 CG LEU A 123 87.312 -1.571 -6.035 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.332 -0.524 -6.541 1.00 5.51 C ATOM 253 CD2 LEU A 123 88.587 -1.556 -6.862 1.00 5.24 C ATOM 0 H LEU A 123 87.783 -2.144 -2.115 1.00 3.56 H new ATOM 0 HA LEU A 123 85.802 -0.629 -3.680 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.032 -0.332 -4.443 1.00 4.48 H new ATOM 0 HB3 LEU A 123 88.417 -2.032 -4.259 1.00 4.48 H new ATOM 0 HG LEU A 123 86.848 -2.552 -6.138 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.118 -0.705 -7.594 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.407 -0.584 -5.967 1.00 5.51 H new ATOM 0 HD13 LEU A 123 86.768 0.468 -6.425 1.00 5.51 H new ATOM 0 HD21 LEU A 123 88.342 -1.723 -7.911 1.00 5.24 H new ATOM 0 HD22 LEU A 123 89.080 -0.590 -6.753 1.00 5.24 H new ATOM 0 HD23 LEU A 123 89.255 -2.345 -6.516 1.00 5.24 H new ATOM 265 N ALA A 124 84.338 -2.537 -4.210 1.00 5.38 N ATOM 266 CA ALA A 124 83.450 -3.633 -4.575 1.00 6.08 C ATOM 267 C ALA A 124 83.894 -4.286 -5.879 1.00 6.69 C ATOM 268 O ALA A 124 83.418 -3.929 -6.957 1.00 7.13 O ATOM 269 CB ALA A 124 82.017 -3.137 -4.692 1.00 6.38 C ATOM 0 H ALA A 124 83.884 -1.625 -4.158 1.00 5.38 H new ATOM 0 HA ALA A 124 83.498 -4.384 -3.787 1.00 6.08 H new ATOM 0 HB1 ALA A 124 81.366 -3.967 -4.965 1.00 6.38 H new ATOM 0 HB2 ALA A 124 81.696 -2.723 -3.736 1.00 6.38 H new ATOM 0 HB3 ALA A 124 81.961 -2.364 -5.459 1.00 6.38 H new ATOM 275 N LEU A 125 84.812 -5.241 -5.775 1.00 6.81 N ATOM 276 CA LEU A 125 85.321 -5.943 -6.946 1.00 7.42 C ATOM 277 C LEU A 125 84.365 -7.049 -7.380 1.00 8.16 C ATOM 278 O LEU A 125 83.727 -6.954 -8.428 1.00 8.46 O ATOM 279 CB LEU A 125 86.703 -6.531 -6.652 1.00 7.36 C ATOM 280 CG LEU A 125 87.767 -5.513 -6.240 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.710 -6.113 -5.208 1.00 6.96 C ATOM 282 CD2 LEU A 125 88.542 -5.030 -7.457 1.00 7.07 C ATOM 0 H LEU A 125 85.219 -5.546 -4.891 1.00 6.81 H new ATOM 0 HA LEU A 125 85.405 -5.224 -7.761 1.00 7.42 H new ATOM 0 HB2 LEU A 125 86.604 -7.271 -5.858 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.052 -7.059 -7.539 1.00 7.36 H new ATOM 0 HG LEU A 125 87.267 -4.656 -5.789 1.00 6.97 H new ATOM 0 HD11 LEU A 125 89.460 -5.374 -4.927 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.143 -6.408 -4.325 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.204 -6.988 -5.631 1.00 6.96 H new ATOM 0 HD21 LEU A 125 89.295 -4.306 -7.145 1.00 7.07 H new ATOM 0 HD22 LEU A 125 89.031 -5.878 -7.937 1.00 7.07 H new ATOM 0 HD23 LEU A 125 87.856 -4.560 -8.162 1.00 7.07 H new ATOM 294 N ARG A 126 84.272 -8.099 -6.569 1.00 8.60 N ATOM 295 CA ARG A 126 83.395 -9.225 -6.874 1.00 9.37 C ATOM 296 C ARG A 126 83.718 -9.808 -8.246 1.00 9.91 C ATOM 297 O ARG A 126 82.825 -10.218 -8.987 1.00 10.39 O ATOM 298 CB ARG A 126 81.929 -8.784 -6.824 1.00 9.55 C ATOM 299 CG ARG A 126 81.034 -9.736 -6.047 1.00 9.90 C ATOM 300 CD ARG A 126 79.648 -9.149 -5.836 1.00 10.24 C ATOM 301 NE ARG A 126 78.638 -10.187 -5.642 1.00 10.60 N ATOM 302 CZ ARG A 126 77.433 -9.959 -5.123 1.00 11.07 C ATOM 303 NH1 ARG A 126 77.084 -8.736 -4.746 1.00 11.25 N ATOM 304 NH2 ARG A 126 76.574 -10.960 -4.980 1.00 11.57 N ATOM 0 H ARG A 126 84.792 -8.194 -5.697 1.00 8.60 H new ATOM 0 HA ARG A 126 83.560 -9.998 -6.123 1.00 9.37 H new ATOM 0 HB2 ARG A 126 81.871 -7.794 -6.372 1.00 9.55 H new ATOM 0 HB3 ARG A 126 81.551 -8.692 -7.842 1.00 9.55 H new ATOM 0 HG2 ARG A 126 80.952 -10.681 -6.584 1.00 9.90 H new ATOM 0 HG3 ARG A 126 81.488 -9.957 -5.081 1.00 9.90 H new ATOM 0 HD2 ARG A 126 79.662 -8.490 -4.968 1.00 10.24 H new ATOM 0 HD3 ARG A 126 79.378 -8.537 -6.697 1.00 10.24 H new ATOM 0 HE ARG A 126 78.869 -11.141 -5.920 1.00 10.60 H new ATOM 0 HH11 ARG A 126 77.740 -7.963 -4.853 1.00 11.25 H new ATOM 0 HH12 ARG A 126 76.159 -8.569 -4.349 1.00 11.25 H new ATOM 0 HH21 ARG A 126 76.837 -11.903 -5.267 1.00 11.57 H new ATOM 0 HH22 ARG A 126 75.651 -10.787 -4.583 1.00 11.57 H new ATOM 318 N GLY A 127 85.004 -9.834 -8.579 1.00 9.94 N ATOM 319 CA GLY A 127 85.431 -10.361 -9.861 1.00 10.50 C ATOM 320 C GLY A 127 86.036 -9.293 -10.754 1.00 10.13 C ATOM 321 O GLY A 127 86.142 -9.477 -11.967 1.00 10.47 O ATOM 0 H GLY A 127 85.760 -9.498 -7.982 1.00 9.94 H new ATOM 0 HA2 GLY A 127 86.163 -11.153 -9.700 1.00 10.50 H new ATOM 0 HA3 GLY A 127 84.578 -10.813 -10.367 1.00 10.50 H new ATOM 325 N GLY A 128 86.436 -8.174 -10.152 1.00 9.48 N ATOM 326 CA GLY A 128 87.030 -7.093 -10.915 1.00 9.18 C ATOM 327 C GLY A 128 88.489 -6.871 -10.565 1.00 8.58 C ATOM 328 O GLY A 128 88.907 -7.144 -9.440 1.00 8.03 O ATOM 0 H GLY A 128 86.358 -7.999 -9.150 1.00 9.48 H new ATOM 0 HA2 GLY A 128 86.944 -7.313 -11.979 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.472 -6.174 -10.733 1.00 9.18 H new ATOM 332 N PRO A 129 89.298 -6.377 -11.518 1.00 8.71 N ATOM 333 CA PRO A 129 90.724 -6.128 -11.292 1.00 8.20 C ATOM 334 C PRO A 129 90.978 -4.896 -10.430 1.00 7.43 C ATOM 335 O PRO A 129 90.219 -3.927 -10.470 1.00 7.36 O ATOM 336 CB PRO A 129 91.271 -5.907 -12.702 1.00 8.64 C ATOM 337 CG PRO A 129 90.112 -5.385 -13.479 1.00 9.37 C ATOM 338 CD PRO A 129 88.885 -6.029 -12.892 1.00 9.42 C ATOM 0 HA PRO A 129 91.196 -6.951 -10.754 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.098 -5.197 -12.699 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.649 -6.835 -13.130 1.00 8.64 H new ATOM 0 HG2 PRO A 129 90.053 -4.299 -13.407 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.211 -5.629 -14.537 1.00 9.37 H new ATOM 0 HD2 PRO A 129 88.035 -5.347 -12.894 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.587 -6.912 -13.457 1.00 9.42 H new ATOM 346 N GLY A 130 92.067 -4.936 -9.670 1.00 6.90 N ATOM 347 CA GLY A 130 92.435 -3.825 -8.824 1.00 6.16 C ATOM 348 C GLY A 130 93.933 -3.644 -8.821 1.00 5.90 C ATOM 349 O GLY A 130 94.676 -4.621 -8.873 1.00 6.04 O ATOM 0 H GLY A 130 92.706 -5.730 -9.628 1.00 6.90 H new ATOM 0 HA2 GLY A 130 91.952 -2.914 -9.178 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.081 -4.000 -7.808 1.00 6.16 H new ATOM 353 N TRP A 131 94.387 -2.404 -8.796 1.00 5.60 N ATOM 354 CA TRP A 131 95.815 -2.134 -8.824 1.00 5.39 C ATOM 355 C TRP A 131 96.292 -1.487 -7.529 1.00 4.56 C ATOM 356 O TRP A 131 95.906 -0.365 -7.198 1.00 4.36 O ATOM 357 CB TRP A 131 96.141 -1.254 -10.025 1.00 5.91 C ATOM 358 CG TRP A 131 95.974 -1.965 -11.333 1.00 6.68 C ATOM 359 CD1 TRP A 131 94.880 -2.672 -11.744 1.00 7.16 C ATOM 360 CD2 TRP A 131 96.930 -2.049 -12.396 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.095 -3.188 -12.998 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.346 -2.820 -13.421 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.220 -1.546 -12.583 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.011 -3.098 -14.613 1.00 8.39 C ATOM 365 CZ3 TRP A 131 98.878 -1.824 -13.767 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.273 -2.593 -14.768 1.00 8.26 C ATOM 0 H TRP A 131 93.795 -1.574 -8.757 1.00 5.60 H new ATOM 0 HA TRP A 131 96.344 -3.082 -8.918 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.496 -0.375 -10.010 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.168 -0.898 -9.940 1.00 5.91 H new ATOM 0 HD1 TRP A 131 93.977 -2.806 -11.167 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.432 -3.753 -13.528 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.695 -0.951 -11.817 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.547 -3.691 -15.387 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 99.876 -1.441 -13.922 1.00 7.59 H new ATOM 0 HH2 TRP A 131 98.814 -2.792 -15.682 1.00 8.26 H new ATOM 377 N CYS A 132 97.136 -2.212 -6.803 1.00 4.17 N ATOM 378 CA CYS A 132 97.682 -1.733 -5.540 1.00 3.38 C ATOM 379 C CYS A 132 98.459 -0.436 -5.737 1.00 3.29 C ATOM 380 O CYS A 132 99.662 -0.452 -6.003 1.00 3.32 O ATOM 381 CB CYS A 132 98.588 -2.801 -4.930 1.00 3.20 C ATOM 382 SG CYS A 132 99.257 -2.369 -3.294 1.00 2.31 S ATOM 0 H CYS A 132 97.459 -3.142 -7.071 1.00 4.17 H new ATOM 0 HA CYS A 132 96.854 -1.531 -4.861 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.027 -3.732 -4.846 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.418 -2.989 -5.611 1.00 3.20 H new ATOM 387 N ASP A 133 97.759 0.689 -5.604 1.00 3.33 N ATOM 388 CA ASP A 133 98.373 2.006 -5.769 1.00 3.56 C ATOM 389 C ASP A 133 99.688 2.104 -5.002 1.00 3.14 C ATOM 390 O ASP A 133 100.606 2.815 -5.410 1.00 3.53 O ATOM 391 CB ASP A 133 97.413 3.100 -5.298 1.00 3.65 C ATOM 392 CG ASP A 133 96.321 3.387 -6.309 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.598 3.301 -7.524 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.186 3.701 -5.887 1.00 3.89 O ATOM 0 H ASP A 133 96.764 0.715 -5.382 1.00 3.33 H new ATOM 0 HA ASP A 133 98.586 2.145 -6.829 1.00 3.56 H new ATOM 0 HB2 ASP A 133 96.960 2.799 -4.353 1.00 3.65 H new ATOM 0 HB3 ASP A 133 97.975 4.014 -5.105 1.00 3.65 H new ATOM 399 N LEU A 134 99.770 1.381 -3.893 1.00 2.45 N ATOM 400 CA LEU A 134 100.969 1.377 -3.066 1.00 2.10 C ATOM 401 C LEU A 134 102.144 0.765 -3.828 1.00 2.27 C ATOM 402 O LEU A 134 103.205 1.378 -3.952 1.00 2.50 O ATOM 403 CB LEU A 134 100.691 0.607 -1.765 1.00 1.47 C ATOM 404 CG LEU A 134 101.896 -0.078 -1.107 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.493 0.812 -0.026 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.484 -1.421 -0.530 1.00 1.35 C ATOM 0 H LEU A 134 99.017 0.788 -3.544 1.00 2.45 H new ATOM 0 HA LEU A 134 101.238 2.403 -2.815 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.256 1.300 -1.044 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.937 -0.153 -1.972 1.00 1.47 H new ATOM 0 HG LEU A 134 102.659 -0.247 -1.867 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.346 0.309 0.429 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.820 1.753 -0.469 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.741 1.012 0.737 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.347 -1.898 -0.066 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.706 -1.272 0.218 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.103 -2.058 -1.328 1.00 1.35 H new ATOM 418 N CYS A 135 101.947 -0.447 -4.335 1.00 2.35 N ATOM 419 CA CYS A 135 102.987 -1.145 -5.082 1.00 2.66 C ATOM 420 C CYS A 135 102.808 -0.941 -6.583 1.00 3.37 C ATOM 421 O CYS A 135 103.629 -0.292 -7.233 1.00 3.63 O ATOM 422 CB CYS A 135 102.967 -2.644 -4.757 1.00 2.75 C ATOM 423 SG CYS A 135 102.647 -3.031 -3.005 1.00 2.27 S ATOM 0 H CYS A 135 101.075 -0.967 -4.242 1.00 2.35 H new ATOM 0 HA CYS A 135 103.950 -0.729 -4.785 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.204 -3.126 -5.368 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.925 -3.078 -5.043 1.00 2.75 H new ATOM 428 N GLY A 136 101.732 -1.499 -7.127 1.00 3.77 N ATOM 429 CA GLY A 136 101.464 -1.370 -8.547 1.00 4.51 C ATOM 430 C GLY A 136 100.975 -2.662 -9.172 1.00 5.01 C ATOM 431 O GLY A 136 100.466 -2.663 -10.294 1.00 5.65 O ATOM 0 H GLY A 136 101.039 -2.039 -6.609 1.00 3.77 H new ATOM 0 HA2 GLY A 136 100.717 -0.591 -8.702 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.372 -1.046 -9.056 1.00 4.51 H new ATOM 435 N ARG A 137 101.130 -3.770 -8.449 1.00 4.84 N ATOM 436 CA ARG A 137 100.698 -5.072 -8.943 1.00 5.43 C ATOM 437 C ARG A 137 99.176 -5.168 -8.970 1.00 5.63 C ATOM 438 O ARG A 137 98.478 -4.210 -8.640 1.00 5.30 O ATOM 439 CB ARG A 137 101.276 -6.187 -8.071 1.00 5.35 C ATOM 440 CG ARG A 137 102.783 -6.344 -8.201 1.00 5.18 C ATOM 441 CD ARG A 137 103.475 -6.250 -6.850 1.00 5.55 C ATOM 442 NE ARG A 137 104.930 -6.254 -6.980 1.00 5.46 N ATOM 443 CZ ARG A 137 105.644 -7.334 -7.289 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.040 -8.498 -7.500 1.00 6.61 N ATOM 445 NH2 ARG A 137 106.963 -7.252 -7.388 1.00 6.15 N ATOM 0 H ARG A 137 101.551 -3.790 -7.520 1.00 4.84 H new ATOM 0 HA ARG A 137 101.068 -5.187 -9.962 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.029 -5.986 -7.029 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.797 -7.129 -8.336 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.011 -7.306 -8.661 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.174 -5.573 -8.865 1.00 5.18 H new ATOM 0 HD2 ARG A 137 103.159 -5.338 -6.343 1.00 5.55 H new ATOM 0 HD3 ARG A 137 103.164 -7.087 -6.224 1.00 5.55 H new ATOM 0 HE ARG A 137 105.428 -5.378 -6.825 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.025 -8.567 -7.425 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.591 -9.323 -7.737 1.00 6.61 H new ATOM 0 HH21 ARG A 137 107.432 -6.361 -7.227 1.00 6.15 H new ATOM 0 HH22 ARG A 137 107.509 -8.080 -7.625 1.00 6.15 H new ATOM 459 N GLU A 138 98.670 -6.330 -9.367 1.00 6.20 N ATOM 460 CA GLU A 138 97.231 -6.552 -9.438 1.00 6.47 C ATOM 461 C GLU A 138 96.704 -7.124 -8.125 1.00 6.14 C ATOM 462 O GLU A 138 97.077 -8.225 -7.720 1.00 6.19 O ATOM 463 CB GLU A 138 96.895 -7.498 -10.594 1.00 7.34 C ATOM 464 CG GLU A 138 96.335 -6.788 -11.816 1.00 8.03 C ATOM 465 CD GLU A 138 95.456 -7.689 -12.662 1.00 8.64 C ATOM 466 OE1 GLU A 138 95.491 -8.920 -12.455 1.00 8.93 O ATOM 467 OE2 GLU A 138 94.731 -7.162 -13.533 1.00 9.02 O ATOM 0 H GLU A 138 99.235 -7.133 -9.645 1.00 6.20 H new ATOM 0 HA GLU A 138 96.748 -5.591 -9.614 1.00 6.47 H new ATOM 0 HB2 GLU A 138 97.795 -8.042 -10.881 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.171 -8.237 -10.250 1.00 7.34 H new ATOM 0 HG2 GLU A 138 95.758 -5.921 -11.495 1.00 8.03 H new ATOM 0 HG3 GLU A 138 97.159 -6.415 -12.424 1.00 8.03 H new ATOM 474 N VAL A 139 95.831 -6.367 -7.468 1.00 5.87 N ATOM 475 CA VAL A 139 95.250 -6.790 -6.202 1.00 5.60 C ATOM 476 C VAL A 139 94.160 -7.838 -6.421 1.00 6.26 C ATOM 477 O VAL A 139 93.287 -7.671 -7.273 1.00 6.56 O ATOM 478 CB VAL A 139 94.665 -5.591 -5.427 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.699 -4.483 -5.293 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.402 -5.073 -6.103 1.00 5.14 C ATOM 0 H VAL A 139 95.511 -5.455 -7.794 1.00 5.87 H new ATOM 0 HA VAL A 139 96.052 -7.232 -5.611 1.00 5.60 H new ATOM 0 HB VAL A 139 94.397 -5.931 -4.426 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.267 -3.647 -4.744 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.569 -4.860 -4.755 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.003 -4.147 -6.284 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.008 -4.228 -5.539 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.638 -4.753 -7.118 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.656 -5.867 -6.137 1.00 5.14 H new ATOM 490 N LEU A 140 94.221 -8.918 -5.650 1.00 6.55 N ATOM 491 CA LEU A 140 93.242 -9.994 -5.763 1.00 7.22 C ATOM 492 C LEU A 140 92.052 -9.753 -4.840 1.00 6.99 C ATOM 493 O LEU A 140 90.923 -9.580 -5.299 1.00 7.24 O ATOM 494 CB LEU A 140 93.892 -11.339 -5.433 1.00 7.76 C ATOM 495 CG LEU A 140 95.268 -11.568 -6.067 1.00 8.26 C ATOM 496 CD1 LEU A 140 96.314 -11.843 -4.997 1.00 8.62 C ATOM 497 CD2 LEU A 140 95.213 -12.714 -7.067 1.00 8.78 C ATOM 0 H LEU A 140 94.937 -9.072 -4.940 1.00 6.55 H new ATOM 0 HA LEU A 140 92.881 -10.013 -6.791 1.00 7.22 H new ATOM 0 HB2 LEU A 140 93.989 -11.422 -4.351 1.00 7.76 H new ATOM 0 HB3 LEU A 140 93.223 -12.137 -5.755 1.00 7.76 H new ATOM 0 HG LEU A 140 95.553 -10.661 -6.599 1.00 8.26 H new ATOM 0 HD11 LEU A 140 97.284 -12.003 -5.469 1.00 8.62 H new ATOM 0 HD12 LEU A 140 96.376 -10.990 -4.321 1.00 8.62 H new ATOM 0 HD13 LEU A 140 96.033 -12.733 -4.434 1.00 8.62 H new ATOM 0 HD21 LEU A 140 96.200 -12.861 -7.506 1.00 8.78 H new ATOM 0 HD22 LEU A 140 94.903 -13.627 -6.558 1.00 8.78 H new ATOM 0 HD23 LEU A 140 94.497 -12.476 -7.854 1.00 8.78 H new ATOM 509 N ARG A 141 92.311 -9.746 -3.537 1.00 6.56 N ATOM 510 CA ARG A 141 91.260 -9.528 -2.549 1.00 6.36 C ATOM 511 C ARG A 141 90.663 -8.131 -2.684 1.00 5.74 C ATOM 512 O ARG A 141 90.936 -7.418 -3.650 1.00 5.48 O ATOM 513 CB ARG A 141 91.811 -9.728 -1.135 1.00 6.20 C ATOM 514 CG ARG A 141 90.859 -10.466 -0.210 1.00 6.87 C ATOM 515 CD ARG A 141 91.112 -11.966 -0.232 1.00 7.11 C ATOM 516 NE ARG A 141 90.088 -12.703 0.506 1.00 7.57 N ATOM 517 CZ ARG A 141 89.851 -14.003 0.347 1.00 8.00 C ATOM 518 NH1 ARG A 141 90.562 -14.713 -0.520 1.00 8.08 N ATOM 519 NH2 ARG A 141 88.900 -14.593 1.058 1.00 8.60 N ATOM 0 H ARG A 141 93.240 -9.889 -3.140 1.00 6.56 H new ATOM 0 HA ARG A 141 90.470 -10.257 -2.730 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.748 -10.281 -1.194 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.042 -8.754 -0.703 1.00 6.20 H new ATOM 0 HG2 ARG A 141 90.974 -10.091 0.807 1.00 6.87 H new ATOM 0 HG3 ARG A 141 89.830 -10.265 -0.509 1.00 6.87 H new ATOM 0 HD2 ARG A 141 91.137 -12.315 -1.264 1.00 7.11 H new ATOM 0 HD3 ARG A 141 92.091 -12.175 0.199 1.00 7.11 H new ATOM 0 HE ARG A 141 89.522 -12.191 1.183 1.00 7.57 H new ATOM 0 HH11 ARG A 141 91.295 -14.263 -1.069 1.00 8.08 H new ATOM 0 HH12 ARG A 141 90.376 -15.709 -0.638 1.00 8.08 H new ATOM 0 HH21 ARG A 141 88.351 -14.051 1.725 1.00 8.60 H new ATOM 0 HH22 ARG A 141 88.717 -15.589 0.938 1.00 8.60 H new ATOM 533 N GLN A 142 89.847 -7.745 -1.707 1.00 5.55 N ATOM 534 CA GLN A 142 89.212 -6.433 -1.716 1.00 4.97 C ATOM 535 C GLN A 142 90.200 -5.350 -1.299 1.00 4.20 C ATOM 536 O GLN A 142 90.453 -5.149 -0.111 1.00 3.88 O ATOM 537 CB GLN A 142 88.001 -6.422 -0.780 1.00 4.98 C ATOM 538 CG GLN A 142 86.828 -7.240 -1.295 1.00 5.49 C ATOM 539 CD GLN A 142 85.495 -6.728 -0.788 1.00 6.00 C ATOM 540 OE1 GLN A 142 84.706 -7.477 -0.210 1.00 6.30 O ATOM 541 NE2 GLN A 142 85.233 -5.443 -1.004 1.00 6.42 N ATOM 0 H GLN A 142 89.611 -8.323 -0.900 1.00 5.55 H new ATOM 0 HA GLN A 142 88.878 -6.225 -2.733 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.302 -6.807 0.195 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.677 -5.392 -0.630 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.829 -7.224 -2.385 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.953 -8.279 -0.992 1.00 5.49 H new ATOM 0 HE21 GLN A 142 85.915 -4.858 -1.487 1.00 6.42 H new ATOM 0 HE22 GLN A 142 84.350 -5.042 -0.687 1.00 6.42 H new ATOM 550 N ALA A 143 90.758 -4.658 -2.285 1.00 4.01 N ATOM 551 CA ALA A 143 91.719 -3.595 -2.023 1.00 3.31 C ATOM 552 C ALA A 143 91.103 -2.493 -1.170 1.00 2.66 C ATOM 553 O ALA A 143 89.954 -2.105 -1.374 1.00 2.78 O ATOM 554 CB ALA A 143 92.241 -3.024 -3.331 1.00 3.47 C ATOM 0 H ALA A 143 90.561 -4.814 -3.274 1.00 4.01 H new ATOM 0 HA ALA A 143 92.553 -4.023 -1.467 1.00 3.31 H new ATOM 0 HB1 ALA A 143 92.958 -2.231 -3.121 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.730 -3.813 -3.903 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.410 -2.619 -3.908 1.00 3.47 H new ATOM 560 N LEU A 144 91.879 -1.992 -0.213 1.00 2.03 N ATOM 561 CA LEU A 144 91.412 -0.932 0.671 1.00 1.43 C ATOM 562 C LEU A 144 91.915 0.425 0.189 1.00 1.04 C ATOM 563 O LEU A 144 93.121 0.666 0.131 1.00 0.81 O ATOM 564 CB LEU A 144 91.885 -1.192 2.102 1.00 1.45 C ATOM 565 CG LEU A 144 91.035 -2.191 2.890 1.00 2.18 C ATOM 566 CD1 LEU A 144 91.757 -2.626 4.156 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.680 -1.588 3.226 1.00 2.25 C ATOM 0 H LEU A 144 92.833 -2.304 -0.031 1.00 2.03 H new ATOM 0 HA LEU A 144 90.322 -0.923 0.656 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.912 -1.557 2.069 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.901 -0.245 2.642 1.00 1.45 H new ATOM 0 HG LEU A 144 90.874 -3.072 2.269 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.137 -3.336 4.703 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.703 -3.099 3.891 1.00 2.76 H new ATOM 0 HD13 LEU A 144 91.950 -1.755 4.783 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.088 -2.312 3.786 1.00 2.25 H new ATOM 0 HD22 LEU A 144 89.820 -0.690 3.828 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.158 -1.329 2.305 1.00 2.25 H new ATOM 579 N ARG A 145 90.982 1.304 -0.171 1.00 1.33 N ATOM 580 CA ARG A 145 91.333 2.630 -0.668 1.00 1.75 C ATOM 581 C ARG A 145 91.095 3.706 0.383 1.00 1.84 C ATOM 582 O ARG A 145 89.964 4.142 0.592 1.00 2.07 O ATOM 583 CB ARG A 145 90.523 2.957 -1.924 1.00 2.50 C ATOM 584 CG ARG A 145 91.192 3.975 -2.834 1.00 3.14 C ATOM 585 CD ARG A 145 90.327 4.297 -4.041 1.00 3.82 C ATOM 586 NE ARG A 145 90.599 5.631 -4.571 1.00 4.39 N ATOM 587 CZ ARG A 145 90.100 6.750 -4.053 1.00 4.96 C ATOM 588 NH1 ARG A 145 89.308 6.704 -2.989 1.00 5.14 N ATOM 589 NH2 ARG A 145 90.396 7.923 -4.600 1.00 5.67 N ATOM 0 H ARG A 145 89.979 1.121 -0.128 1.00 1.33 H new ATOM 0 HA ARG A 145 92.396 2.617 -0.909 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.352 2.038 -2.485 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.545 3.336 -1.627 1.00 2.50 H new ATOM 0 HG2 ARG A 145 91.392 4.889 -2.274 1.00 3.14 H new ATOM 0 HG3 ARG A 145 92.155 3.589 -3.168 1.00 3.14 H new ATOM 0 HD2 ARG A 145 90.502 3.555 -4.820 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.276 4.225 -3.763 1.00 3.82 H new ATOM 0 HE ARG A 145 91.207 5.709 -5.386 1.00 4.39 H new ATOM 0 HH11 ARG A 145 89.078 5.806 -2.563 1.00 5.14 H new ATOM 0 HH12 ARG A 145 88.929 7.566 -2.598 1.00 5.14 H new ATOM 0 HH21 ARG A 145 91.006 7.966 -5.417 1.00 5.67 H new ATOM 0 HH22 ARG A 145 90.014 8.782 -4.204 1.00 5.67 H new ATOM 603 N CYS A 146 92.170 4.144 1.028 1.00 1.92 N ATOM 604 CA CYS A 146 92.068 5.185 2.040 1.00 2.46 C ATOM 605 C CYS A 146 92.003 6.555 1.373 1.00 3.20 C ATOM 606 O CYS A 146 93.007 7.260 1.277 1.00 3.63 O ATOM 607 CB CYS A 146 93.254 5.117 3.003 1.00 2.60 C ATOM 608 SG CYS A 146 93.331 6.489 4.203 1.00 3.57 S ATOM 0 H CYS A 146 93.116 3.796 0.869 1.00 1.92 H new ATOM 0 HA CYS A 146 91.154 5.027 2.612 1.00 2.46 H new ATOM 0 HB2 CYS A 146 93.209 4.175 3.549 1.00 2.60 H new ATOM 0 HB3 CYS A 146 94.177 5.106 2.423 1.00 2.60 H new ATOM 613 N ALA A 147 90.812 6.919 0.909 1.00 3.42 N ATOM 614 CA ALA A 147 90.601 8.200 0.242 1.00 4.19 C ATOM 615 C ALA A 147 90.959 9.382 1.142 1.00 4.75 C ATOM 616 O ALA A 147 90.987 10.526 0.688 1.00 5.41 O ATOM 617 CB ALA A 147 89.160 8.316 -0.227 1.00 4.35 C ATOM 0 H ALA A 147 89.974 6.342 0.983 1.00 3.42 H new ATOM 0 HA ALA A 147 91.267 8.233 -0.620 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.015 9.276 -0.723 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.939 7.509 -0.926 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.491 8.246 0.631 1.00 4.35 H new ATOM 623 N ASN A 148 91.235 9.110 2.416 1.00 4.58 N ATOM 624 CA ASN A 148 91.588 10.163 3.358 1.00 5.23 C ATOM 625 C ASN A 148 92.952 10.769 3.024 1.00 5.62 C ATOM 626 O ASN A 148 93.231 11.910 3.388 1.00 6.29 O ATOM 627 CB ASN A 148 91.588 9.620 4.790 1.00 5.11 C ATOM 628 CG ASN A 148 90.496 10.239 5.642 1.00 5.34 C ATOM 629 OD1 ASN A 148 90.218 11.434 5.542 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.874 9.427 6.488 1.00 5.41 N ATOM 0 H ASN A 148 91.220 8.172 2.816 1.00 4.58 H new ATOM 0 HA ASN A 148 90.838 10.950 3.277 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.457 8.538 4.766 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.557 9.814 5.249 1.00 5.11 H new ATOM 0 HD21 ASN A 148 89.133 9.787 7.089 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.137 8.443 6.537 1.00 5.41 H new ATOM 637 N CYS A 149 93.799 10.006 2.334 1.00 5.21 N ATOM 638 CA CYS A 149 95.123 10.498 1.966 1.00 5.54 C ATOM 639 C CYS A 149 95.877 9.481 1.117 1.00 5.02 C ATOM 640 O CYS A 149 96.437 9.823 0.076 1.00 5.26 O ATOM 641 CB CYS A 149 95.934 10.826 3.222 1.00 5.86 C ATOM 642 SG CYS A 149 95.802 9.576 4.543 1.00 5.35 S ATOM 0 H CYS A 149 93.594 9.057 2.022 1.00 5.21 H new ATOM 0 HA CYS A 149 94.988 11.404 1.375 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.982 10.937 2.945 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.604 11.788 3.613 1.00 5.86 H new ATOM 647 N LYS A 150 95.894 8.234 1.570 1.00 4.33 N ATOM 648 CA LYS A 150 96.587 7.172 0.851 1.00 3.79 C ATOM 649 C LYS A 150 95.830 6.788 -0.424 1.00 3.60 C ATOM 650 O LYS A 150 95.260 7.649 -1.096 1.00 4.14 O ATOM 651 CB LYS A 150 96.780 5.951 1.761 1.00 3.18 C ATOM 652 CG LYS A 150 97.040 6.303 3.219 1.00 3.63 C ATOM 653 CD LYS A 150 98.083 5.385 3.840 1.00 3.46 C ATOM 654 CE LYS A 150 99.352 6.144 4.197 1.00 3.65 C ATOM 655 NZ LYS A 150 100.393 6.015 3.141 1.00 3.87 N ATOM 0 H LYS A 150 95.437 7.933 2.431 1.00 4.33 H new ATOM 0 HA LYS A 150 97.569 7.542 0.556 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.892 5.322 1.702 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.615 5.359 1.386 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.377 7.337 3.290 1.00 3.63 H new ATOM 0 HG3 LYS A 150 96.110 6.231 3.783 1.00 3.63 H new ATOM 0 HD2 LYS A 150 97.672 4.919 4.736 1.00 3.46 H new ATOM 0 HD3 LYS A 150 98.322 4.581 3.144 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.115 7.197 4.346 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.745 5.769 5.142 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 101.241 6.547 3.423 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.638 5.012 3.016 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 100.028 6.396 2.245 1.00 3.87 H new ATOM 669 N PHE A 151 95.832 5.499 -0.760 1.00 2.95 N ATOM 670 CA PHE A 151 95.153 5.015 -1.958 1.00 2.98 C ATOM 671 C PHE A 151 94.713 3.558 -1.779 1.00 2.28 C ATOM 672 O PHE A 151 94.695 3.046 -0.661 1.00 1.66 O ATOM 673 CB PHE A 151 96.073 5.155 -3.179 1.00 3.44 C ATOM 674 CG PHE A 151 97.536 5.004 -2.863 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.965 4.051 -1.954 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.479 5.815 -3.475 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.310 3.908 -1.661 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.824 5.677 -3.187 1.00 3.41 C ATOM 679 CZ PHE A 151 100.239 4.722 -2.279 1.00 3.10 C ATOM 0 H PHE A 151 96.297 4.771 -0.218 1.00 2.95 H new ATOM 0 HA PHE A 151 94.261 5.621 -2.121 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.793 4.406 -3.920 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.909 6.132 -3.635 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.242 3.412 -1.468 1.00 3.36 H new ATOM 0 HD2 PHE A 151 98.159 6.563 -4.185 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.633 3.161 -0.950 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.549 6.315 -3.671 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.289 4.612 -2.053 1.00 3.10 H new ATOM 689 N THR A 152 94.352 2.897 -2.880 1.00 2.56 N ATOM 690 CA THR A 152 93.909 1.505 -2.823 1.00 2.30 C ATOM 691 C THR A 152 95.093 0.547 -2.736 1.00 2.04 C ATOM 692 O THR A 152 95.731 0.234 -3.742 1.00 2.50 O ATOM 693 CB THR A 152 93.056 1.170 -4.049 1.00 3.04 C ATOM 694 OG1 THR A 152 92.655 -0.189 -4.021 1.00 3.69 O ATOM 695 CG2 THR A 152 93.769 1.410 -5.361 1.00 3.48 C ATOM 0 H THR A 152 94.358 3.301 -3.817 1.00 2.56 H new ATOM 0 HA THR A 152 93.308 1.384 -1.922 1.00 2.30 H new ATOM 0 HB THR A 152 92.197 1.839 -3.995 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.109 -0.385 -4.811 1.00 3.69 H new ATOM 0 HG21 THR A 152 93.107 1.152 -6.187 1.00 3.48 H new ATOM 0 HG22 THR A 152 94.050 2.460 -5.435 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.665 0.791 -5.407 1.00 3.48 H new ATOM 703 N CYS A 153 95.383 0.086 -1.523 1.00 1.38 N ATOM 704 CA CYS A 153 96.492 -0.833 -1.294 1.00 1.29 C ATOM 705 C CYS A 153 95.997 -2.269 -1.139 1.00 1.85 C ATOM 706 O CYS A 153 94.801 -2.509 -0.973 1.00 2.08 O ATOM 707 CB CYS A 153 97.262 -0.425 -0.038 1.00 0.64 C ATOM 708 SG CYS A 153 97.810 1.297 -0.032 1.00 1.36 S ATOM 0 H CYS A 153 94.863 0.335 -0.681 1.00 1.38 H new ATOM 0 HA CYS A 153 97.150 -0.784 -2.162 1.00 1.29 H new ATOM 0 HB2 CYS A 153 96.630 -0.597 0.834 1.00 0.64 H new ATOM 0 HB3 CYS A 153 98.133 -1.072 0.067 1.00 0.64 H new ATOM 0 HG CYS A 153 97.730 1.782 -1.235 1.00 1.36 H new ATOM 714 N HIS A 154 96.929 -3.216 -1.176 1.00 2.20 N ATOM 715 CA HIS A 154 96.594 -4.627 -1.019 1.00 2.94 C ATOM 716 C HIS A 154 96.046 -4.883 0.380 1.00 3.04 C ATOM 717 O HIS A 154 96.446 -4.226 1.342 1.00 2.70 O ATOM 718 CB HIS A 154 97.827 -5.505 -1.253 1.00 3.32 C ATOM 719 CG HIS A 154 98.148 -5.744 -2.695 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.364 -5.388 -3.225 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.393 -6.319 -3.663 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.327 -5.750 -4.493 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.153 -6.320 -4.807 1.00 4.64 N ATOM 0 H HIS A 154 97.923 -3.032 -1.313 1.00 2.20 H new ATOM 0 HA HIS A 154 95.835 -4.881 -1.758 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.687 -5.038 -0.774 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.672 -6.466 -0.763 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.389 -6.702 -3.555 1.00 4.36 H new ATOM 0 HE1 HIS A 154 100.139 -5.606 -5.190 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.878 -6.684 -5.719 1.00 4.64 H new ATOM 731 N SER A 155 95.136 -5.844 0.494 1.00 3.67 N ATOM 732 CA SER A 155 94.540 -6.182 1.782 1.00 3.98 C ATOM 733 C SER A 155 95.616 -6.399 2.845 1.00 4.20 C ATOM 734 O SER A 155 95.604 -5.757 3.896 1.00 4.08 O ATOM 735 CB SER A 155 93.677 -7.440 1.654 1.00 4.76 C ATOM 736 OG SER A 155 92.585 -7.403 2.556 1.00 5.02 O ATOM 0 H SER A 155 94.795 -6.402 -0.289 1.00 3.67 H new ATOM 0 HA SER A 155 93.913 -5.346 2.091 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.306 -7.528 0.633 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.285 -8.323 1.850 1.00 4.76 H new ATOM 0 HG SER A 155 92.048 -8.217 2.453 1.00 5.02 H new ATOM 742 N GLU A 156 96.543 -7.308 2.564 1.00 4.69 N ATOM 743 CA GLU A 156 97.624 -7.616 3.493 1.00 5.06 C ATOM 744 C GLU A 156 98.582 -6.434 3.644 1.00 4.46 C ATOM 745 O GLU A 156 99.243 -6.292 4.673 1.00 4.76 O ATOM 746 CB GLU A 156 98.392 -8.850 3.020 1.00 5.69 C ATOM 747 CG GLU A 156 97.535 -10.103 2.932 1.00 6.28 C ATOM 748 CD GLU A 156 97.105 -10.416 1.513 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.985 -10.495 0.629 1.00 7.31 O ATOM 750 OE2 GLU A 156 95.888 -10.582 1.283 1.00 7.29 O ATOM 0 H GLU A 156 96.567 -7.846 1.698 1.00 4.69 H new ATOM 0 HA GLU A 156 97.179 -7.819 4.467 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.824 -8.646 2.040 1.00 5.69 H new ATOM 0 HB3 GLU A 156 99.222 -9.035 3.702 1.00 5.69 H new ATOM 0 HG2 GLU A 156 98.093 -10.949 3.334 1.00 6.28 H new ATOM 0 HG3 GLU A 156 96.651 -9.978 3.557 1.00 6.28 H new ATOM 757 N CYS A 157 98.656 -5.592 2.618 1.00 3.72 N ATOM 758 CA CYS A 157 99.540 -4.430 2.651 1.00 3.15 C ATOM 759 C CYS A 157 99.046 -3.391 3.652 1.00 3.01 C ATOM 760 O CYS A 157 99.825 -2.573 4.144 1.00 3.02 O ATOM 761 CB CYS A 157 99.652 -3.800 1.261 1.00 2.51 C ATOM 762 SG CYS A 157 101.018 -4.462 0.252 1.00 2.62 S ATOM 0 H CYS A 157 98.118 -5.691 1.757 1.00 3.72 H new ATOM 0 HA CYS A 157 100.525 -4.772 2.967 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.714 -3.953 0.728 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.784 -2.724 1.371 1.00 2.51 H new ATOM 767 N ARG A 158 97.750 -3.424 3.953 1.00 3.04 N ATOM 768 CA ARG A 158 97.161 -2.477 4.898 1.00 3.06 C ATOM 769 C ARG A 158 97.974 -2.409 6.189 1.00 3.76 C ATOM 770 O ARG A 158 98.347 -1.327 6.643 1.00 3.88 O ATOM 771 CB ARG A 158 95.717 -2.871 5.215 1.00 3.18 C ATOM 772 CG ARG A 158 94.831 -1.689 5.569 1.00 3.57 C ATOM 773 CD ARG A 158 93.717 -2.095 6.521 1.00 4.14 C ATOM 774 NE ARG A 158 94.047 -1.792 7.913 1.00 4.64 N ATOM 775 CZ ARG A 158 93.360 -2.252 8.954 1.00 5.27 C ATOM 776 NH1 ARG A 158 92.305 -3.037 8.768 1.00 5.53 N ATOM 777 NH2 ARG A 158 93.727 -1.926 10.186 1.00 5.95 N ATOM 0 H ARG A 158 97.089 -4.093 3.558 1.00 3.04 H new ATOM 0 HA ARG A 158 97.171 -1.491 4.433 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.293 -3.388 4.355 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.715 -3.578 6.045 1.00 3.18 H new ATOM 0 HG2 ARG A 158 95.434 -0.905 6.026 1.00 3.57 H new ATOM 0 HG3 ARG A 158 94.400 -1.271 4.660 1.00 3.57 H new ATOM 0 HD2 ARG A 158 92.798 -1.577 6.245 1.00 4.14 H new ATOM 0 HD3 ARG A 158 93.524 -3.163 6.419 1.00 4.14 H new ATOM 0 HE ARG A 158 94.852 -1.192 8.096 1.00 4.64 H new ATOM 0 HH11 ARG A 158 92.018 -3.290 7.822 1.00 5.53 H new ATOM 0 HH12 ARG A 158 91.782 -3.387 9.571 1.00 5.53 H new ATOM 0 HH21 ARG A 158 94.536 -1.323 10.334 1.00 5.95 H new ATOM 0 HH22 ARG A 158 93.200 -2.279 10.985 1.00 5.95 H new ATOM 791 N SER A 159 98.248 -3.571 6.775 1.00 4.35 N ATOM 792 CA SER A 159 99.017 -3.643 8.011 1.00 5.07 C ATOM 793 C SER A 159 100.457 -3.187 7.786 1.00 5.04 C ATOM 794 O SER A 159 101.096 -2.647 8.690 1.00 5.56 O ATOM 795 CB SER A 159 99.003 -5.068 8.562 1.00 5.71 C ATOM 796 OG SER A 159 99.394 -5.094 9.926 1.00 6.02 O ATOM 0 H SER A 159 97.948 -4.476 6.412 1.00 4.35 H new ATOM 0 HA SER A 159 98.553 -2.975 8.736 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.004 -5.491 8.459 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.676 -5.694 7.976 1.00 5.71 H new ATOM 0 HG SER A 159 99.375 -6.017 10.254 1.00 6.02 H new ATOM 802 N LEU A 160 100.961 -3.410 6.577 1.00 4.50 N ATOM 803 CA LEU A 160 102.325 -3.024 6.233 1.00 4.49 C ATOM 804 C LEU A 160 102.476 -1.505 6.198 1.00 4.25 C ATOM 805 O LEU A 160 103.578 -0.979 6.356 1.00 4.39 O ATOM 806 CB LEU A 160 102.719 -3.620 4.879 1.00 4.13 C ATOM 807 CG LEU A 160 103.517 -4.922 4.952 1.00 4.38 C ATOM 808 CD1 LEU A 160 102.650 -6.048 5.496 1.00 4.84 C ATOM 809 CD2 LEU A 160 104.068 -5.287 3.582 1.00 4.59 C ATOM 0 H LEU A 160 100.445 -3.856 5.818 1.00 4.50 H new ATOM 0 HA LEU A 160 102.989 -3.415 7.004 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.813 -3.799 4.301 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.306 -2.882 4.332 1.00 4.13 H new ATOM 0 HG LEU A 160 104.356 -4.774 5.632 1.00 4.38 H new ATOM 0 HD11 LEU A 160 103.234 -6.967 5.541 1.00 4.84 H new ATOM 0 HD12 LEU A 160 102.303 -5.789 6.496 1.00 4.84 H new ATOM 0 HD13 LEU A 160 101.792 -6.195 4.841 1.00 4.84 H new ATOM 0 HD21 LEU A 160 104.633 -6.216 3.653 1.00 4.59 H new ATOM 0 HD22 LEU A 160 103.243 -5.416 2.881 1.00 4.59 H new ATOM 0 HD23 LEU A 160 104.723 -4.490 3.229 1.00 4.59 H new ATOM 821 N ILE A 161 101.366 -0.803 5.988 1.00 4.04 N ATOM 822 CA ILE A 161 101.385 0.653 5.930 1.00 4.02 C ATOM 823 C ILE A 161 101.016 1.264 7.279 1.00 4.66 C ATOM 824 O ILE A 161 99.843 1.314 7.649 1.00 4.65 O ATOM 825 CB ILE A 161 100.418 1.186 4.856 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.643 0.456 3.531 1.00 2.89 C ATOM 827 CG2 ILE A 161 100.594 2.687 4.679 1.00 3.55 C ATOM 828 CD1 ILE A 161 99.491 0.598 2.561 1.00 2.37 C ATOM 0 H ILE A 161 100.444 -1.219 5.856 1.00 4.04 H new ATOM 0 HA ILE A 161 102.402 0.944 5.669 1.00 4.02 H new ATOM 0 HB ILE A 161 99.395 0.999 5.184 1.00 3.40 H new ATOM 0 HG12 ILE A 161 101.550 0.839 3.064 1.00 2.89 H new ATOM 0 HG13 ILE A 161 100.810 -0.602 3.732 1.00 2.89 H new ATOM 0 HG21 ILE A 161 99.903 3.047 3.917 1.00 3.55 H new ATOM 0 HG22 ILE A 161 100.388 3.191 5.623 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.618 2.899 4.370 1.00 3.55 H new ATOM 0 HD11 ILE A 161 99.719 0.055 1.643 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.586 0.189 3.009 1.00 2.37 H new ATOM 0 HD13 ILE A 161 99.337 1.652 2.330 1.00 2.37 H new ATOM 840 N GLN A 162 102.026 1.730 8.006 1.00 5.30 N ATOM 841 CA GLN A 162 101.809 2.339 9.313 1.00 6.01 C ATOM 842 C GLN A 162 101.914 3.859 9.227 1.00 6.16 C ATOM 843 O GLN A 162 103.010 4.418 9.257 1.00 6.76 O ATOM 844 CB GLN A 162 102.825 1.799 10.325 1.00 6.80 C ATOM 845 CG GLN A 162 102.186 1.200 11.566 1.00 6.97 C ATOM 846 CD GLN A 162 103.210 0.717 12.574 1.00 7.56 C ATOM 847 OE1 GLN A 162 104.226 1.372 12.807 1.00 8.05 O ATOM 848 NE2 GLN A 162 102.949 -0.436 13.179 1.00 7.77 N ATOM 0 H GLN A 162 103.002 1.698 7.712 1.00 5.30 H new ATOM 0 HA GLN A 162 100.804 2.081 9.647 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.440 1.040 9.841 1.00 6.80 H new ATOM 0 HB3 GLN A 162 103.492 2.607 10.624 1.00 6.80 H new ATOM 0 HG2 GLN A 162 101.544 1.945 12.035 1.00 6.97 H new ATOM 0 HG3 GLN A 162 101.547 0.366 11.275 1.00 6.97 H new ATOM 0 HE21 GLN A 162 102.095 -0.947 12.956 1.00 7.77 H new ATOM 0 HE22 GLN A 162 103.603 -0.811 13.866 1.00 7.77 H new ATOM 857 N LEU A 163 100.766 4.522 9.121 1.00 5.80 N ATOM 858 CA LEU A 163 100.731 5.978 9.031 1.00 6.11 C ATOM 859 C LEU A 163 99.329 6.507 9.315 1.00 6.27 C ATOM 860 O LEU A 163 98.332 5.879 8.958 1.00 6.00 O ATOM 861 CB LEU A 163 101.188 6.435 7.644 1.00 5.81 C ATOM 862 CG LEU A 163 101.590 7.908 7.549 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.091 8.064 7.733 1.00 6.32 C ATOM 864 CD2 LEU A 163 101.152 8.495 6.215 1.00 6.57 C ATOM 0 H LEU A 163 99.849 4.075 9.095 1.00 5.80 H new ATOM 0 HA LEU A 163 101.411 6.380 9.782 1.00 6.11 H new ATOM 0 HB2 LEU A 163 102.035 5.822 7.337 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.384 6.247 6.933 1.00 5.81 H new ATOM 0 HG LEU A 163 101.087 8.454 8.347 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.359 9.118 7.662 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.379 7.681 8.712 1.00 6.32 H new ATOM 0 HD13 LEU A 163 103.613 7.504 6.957 1.00 6.32 H new ATOM 0 HD21 LEU A 163 101.446 9.543 6.165 1.00 6.57 H new ATOM 0 HD22 LEU A 163 101.627 7.945 5.402 1.00 6.57 H new ATOM 0 HD23 LEU A 163 100.069 8.417 6.121 1.00 6.57 H new ATOM 876 N ASP A 164 99.261 7.667 9.962 1.00 6.82 N ATOM 877 CA ASP A 164 97.981 8.283 10.296 1.00 7.11 C ATOM 878 C ASP A 164 97.484 9.160 9.152 1.00 6.85 C ATOM 879 O ASP A 164 98.252 9.535 8.266 1.00 6.80 O ATOM 880 CB ASP A 164 98.111 9.114 11.573 1.00 7.92 C ATOM 881 CG ASP A 164 97.811 8.310 12.821 1.00 8.46 C ATOM 882 OD1 ASP A 164 97.966 7.071 12.781 1.00 8.87 O ATOM 883 OD2 ASP A 164 97.419 8.918 13.839 1.00 8.71 O ATOM 0 H ASP A 164 100.077 8.199 10.265 1.00 6.82 H new ATOM 0 HA ASP A 164 97.254 7.487 10.461 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.121 9.518 11.639 1.00 7.92 H new ATOM 0 HB3 ASP A 164 97.431 9.964 11.520 1.00 7.92 H new ATOM 888 N CYS A 165 96.196 9.484 9.177 1.00 6.77 N ATOM 889 CA CYS A 165 95.597 10.317 8.140 1.00 6.61 C ATOM 890 C CYS A 165 96.246 11.696 8.112 1.00 7.27 C ATOM 891 O CYS A 165 96.009 12.523 8.994 1.00 7.79 O ATOM 892 CB CYS A 165 94.093 10.454 8.370 1.00 6.46 C ATOM 893 SG CYS A 165 93.112 9.048 7.750 1.00 5.92 S ATOM 0 H CYS A 165 95.547 9.183 9.904 1.00 6.77 H new ATOM 0 HA CYS A 165 95.766 9.834 7.178 1.00 6.61 H new ATOM 0 HB2 CYS A 165 93.909 10.568 9.438 1.00 6.46 H new ATOM 0 HB3 CYS A 165 93.744 11.367 7.887 1.00 6.46 H new ATOM 898 N ARG A 166 97.061 11.937 7.093 1.00 7.27 N ATOM 899 CA ARG A 166 97.746 13.216 6.946 1.00 7.93 C ATOM 900 C ARG A 166 96.967 14.147 6.023 1.00 8.10 C ATOM 901 O ARG A 166 96.717 15.299 6.369 1.00 0.00 O ATOM 902 CB ARG A 166 99.159 13.003 6.401 1.00 7.96 C ATOM 903 CG ARG A 166 99.214 12.073 5.199 1.00 7.80 C ATOM 904 CD ARG A 166 100.547 12.179 4.475 1.00 8.18 C ATOM 905 NE ARG A 166 100.447 11.751 3.082 1.00 8.38 N ATOM 906 CZ ARG A 166 101.494 11.409 2.334 1.00 8.69 C ATOM 907 NH1 ARG A 166 102.720 11.444 2.841 1.00 8.85 N ATOM 908 NH2 ARG A 166 101.315 11.031 1.075 1.00 9.07 N ATOM 0 H ARG A 166 97.264 11.263 6.355 1.00 7.27 H new ATOM 0 HA ARG A 166 97.811 13.680 7.930 1.00 7.93 H new ATOM 0 HB2 ARG A 166 99.581 13.968 6.122 1.00 7.96 H new ATOM 0 HB3 ARG A 166 99.788 12.597 7.193 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.056 11.045 5.525 1.00 7.80 H new ATOM 0 HG3 ARG A 166 98.404 12.317 4.511 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.900 13.210 4.513 1.00 8.18 H new ATOM 0 HD3 ARG A 166 101.289 11.569 4.990 1.00 8.18 H new ATOM 0 HE ARG A 166 99.520 11.712 2.657 1.00 8.38 H new ATOM 0 HH11 ARG A 166 102.864 11.734 3.808 1.00 8.85 H new ATOM 0 HH12 ARG A 166 103.518 11.181 2.263 1.00 8.85 H new ATOM 0 HH21 ARG A 166 100.375 11.002 0.680 1.00 9.07 H new ATOM 0 HH22 ARG A 166 102.117 10.769 0.502 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.584 -4.031 -1.968 1.00 2.57 ZN HETATM 924 ZN ZN A 2 94.068 8.281 5.802 1.00 4.87 ZN