USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, 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 118 HIS HD1 : A 118 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 142 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.9!) USER MOD Single : A 148 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.7!) USER MOD Single : A 150 LYS NZ :NH3+ 143:sc= 0 (180deg=-1.45!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.94 USER MOD Single : A 153 CYS SG : rot -20:sc= -1.15 USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot -56:sc= 0.612 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 80.430 12.416 3.801 1.00 10.33 N ATOM 2 CA PRO A 108 80.687 10.960 3.977 1.00 9.87 C ATOM 3 C PRO A 108 79.414 10.198 4.341 1.00 9.14 C ATOM 4 O PRO A 108 79.122 9.984 5.518 1.00 9.03 O ATOM 5 CB PRO A 108 81.733 10.808 5.078 1.00 10.34 C ATOM 6 CG PRO A 108 81.906 12.187 5.618 1.00 11.01 C ATOM 7 CD PRO A 108 81.506 13.130 4.509 1.00 10.96 C ATOM 0 HA PRO A 108 81.045 10.537 3.038 1.00 9.87 H new ATOM 0 HB2 PRO A 108 81.398 10.117 5.852 1.00 10.34 H new ATOM 0 HB3 PRO A 108 82.670 10.415 4.684 1.00 10.34 H new ATOM 0 HG2 PRO A 108 81.285 12.340 6.501 1.00 11.01 H new ATOM 0 HG3 PRO A 108 82.939 12.359 5.921 1.00 11.01 H new ATOM 0 HD2 PRO A 108 81.158 14.085 4.904 1.00 10.96 H new ATOM 0 HD3 PRO A 108 82.345 13.345 3.847 1.00 10.96 H new ATOM 17 N ARG A 109 78.661 9.793 3.323 1.00 8.91 N ATOM 18 CA ARG A 109 77.422 9.056 3.536 1.00 8.49 C ATOM 19 C ARG A 109 77.693 7.723 4.228 1.00 7.86 C ATOM 20 O ARG A 109 77.210 7.476 5.333 1.00 7.78 O ATOM 21 CB ARG A 109 76.709 8.820 2.202 1.00 8.84 C ATOM 22 CG ARG A 109 75.365 9.525 2.096 1.00 9.50 C ATOM 23 CD ARG A 109 74.441 9.138 3.239 1.00 10.20 C ATOM 24 NE ARG A 109 73.069 8.923 2.785 1.00 10.78 N ATOM 25 CZ ARG A 109 72.652 7.810 2.186 1.00 11.32 C ATOM 26 NH1 ARG A 109 73.497 6.809 1.968 1.00 11.37 N ATOM 27 NH2 ARG A 109 71.388 7.696 1.805 1.00 12.00 N ATOM 0 H ARG A 109 78.888 9.963 2.343 1.00 8.91 H new ATOM 0 HA ARG A 109 76.779 9.653 4.182 1.00 8.49 H new ATOM 0 HB2 ARG A 109 77.353 9.159 1.391 1.00 8.84 H new ATOM 0 HB3 ARG A 109 76.560 7.749 2.064 1.00 8.84 H new ATOM 0 HG2 ARG A 109 75.518 10.604 2.100 1.00 9.50 H new ATOM 0 HG3 ARG A 109 74.895 9.273 1.145 1.00 9.50 H new ATOM 0 HD2 ARG A 109 74.812 8.230 3.714 1.00 10.20 H new ATOM 0 HD3 ARG A 109 74.454 9.922 3.997 1.00 10.20 H new ATOM 0 HE ARG A 109 72.391 9.670 2.936 1.00 10.78 H new ATOM 0 HH11 ARG A 109 74.471 6.891 2.260 1.00 11.37 H new ATOM 0 HH12 ARG A 109 73.172 5.958 1.509 1.00 11.37 H new ATOM 0 HH21 ARG A 109 70.734 8.461 1.971 1.00 12.00 H new ATOM 0 HH22 ARG A 109 71.069 6.843 1.346 1.00 12.00 H new ATOM 41 N VAL A 110 78.470 6.867 3.571 1.00 7.68 N ATOM 42 CA VAL A 110 78.805 5.561 4.122 1.00 7.34 C ATOM 43 C VAL A 110 79.963 5.663 5.110 1.00 6.54 C ATOM 44 O VAL A 110 81.106 5.897 4.720 1.00 6.26 O ATOM 45 CB VAL A 110 79.180 4.562 3.012 1.00 7.82 C ATOM 46 CG1 VAL A 110 79.332 3.161 3.582 1.00 8.21 C ATOM 47 CG2 VAL A 110 78.143 4.584 1.900 1.00 8.46 C ATOM 0 H VAL A 110 78.879 7.056 2.656 1.00 7.68 H new ATOM 0 HA VAL A 110 77.917 5.199 4.641 1.00 7.34 H new ATOM 0 HB VAL A 110 80.139 4.862 2.589 1.00 7.82 H new ATOM 0 HG11 VAL A 110 79.597 2.470 2.782 1.00 8.21 H new ATOM 0 HG12 VAL A 110 80.117 3.159 4.338 1.00 8.21 H new ATOM 0 HG13 VAL A 110 78.391 2.848 4.035 1.00 8.21 H new ATOM 0 HG21 VAL A 110 78.425 3.872 1.125 1.00 8.46 H new ATOM 0 HG22 VAL A 110 77.169 4.312 2.306 1.00 8.46 H new ATOM 0 HG23 VAL A 110 78.091 5.585 1.471 1.00 8.46 H new ATOM 57 N LEU A 111 79.658 5.486 6.391 1.00 6.49 N ATOM 58 CA LEU A 111 80.672 5.558 7.436 1.00 6.05 C ATOM 59 C LEU A 111 81.284 4.184 7.696 1.00 5.68 C ATOM 60 O LEU A 111 80.691 3.158 7.365 1.00 6.10 O ATOM 61 CB LEU A 111 80.068 6.113 8.727 1.00 6.60 C ATOM 62 CG LEU A 111 81.008 6.990 9.557 1.00 6.95 C ATOM 63 CD1 LEU A 111 81.087 8.390 8.969 1.00 7.53 C ATOM 64 CD2 LEU A 111 80.545 7.042 11.004 1.00 7.37 C ATOM 0 H LEU A 111 78.716 5.292 6.731 1.00 6.49 H new ATOM 0 HA LEU A 111 81.461 6.229 7.096 1.00 6.05 H new ATOM 0 HB2 LEU A 111 79.181 6.695 8.475 1.00 6.60 H new ATOM 0 HB3 LEU A 111 79.736 5.278 9.344 1.00 6.60 H new ATOM 0 HG LEU A 111 82.005 6.551 9.531 1.00 6.95 H new ATOM 0 HD11 LEU A 111 81.760 9.000 9.572 1.00 7.53 H new ATOM 0 HD12 LEU A 111 81.464 8.335 7.948 1.00 7.53 H new ATOM 0 HD13 LEU A 111 80.094 8.840 8.966 1.00 7.53 H new ATOM 0 HD21 LEU A 111 81.224 7.670 11.581 1.00 7.37 H new ATOM 0 HD22 LEU A 111 79.539 7.459 11.049 1.00 7.37 H new ATOM 0 HD23 LEU A 111 80.540 6.035 11.421 1.00 7.37 H new ATOM 76 N ALA A 112 82.473 4.175 8.289 1.00 5.15 N ATOM 77 CA ALA A 112 83.165 2.928 8.595 1.00 4.90 C ATOM 78 C ALA A 112 82.887 2.481 10.024 1.00 5.28 C ATOM 79 O ALA A 112 82.370 3.249 10.836 1.00 5.66 O ATOM 80 CB ALA A 112 84.661 3.087 8.370 1.00 4.47 C ATOM 0 H ALA A 112 82.978 5.017 8.567 1.00 5.15 H new ATOM 0 HA ALA A 112 82.787 2.157 7.923 1.00 4.90 H new ATOM 0 HB1 ALA A 112 85.166 2.149 8.602 1.00 4.47 H new ATOM 0 HB2 ALA A 112 84.846 3.351 7.329 1.00 4.47 H new ATOM 0 HB3 ALA A 112 85.045 3.875 9.018 1.00 4.47 H new ATOM 86 N GLU A 113 83.232 1.233 10.327 1.00 5.43 N ATOM 87 CA GLU A 113 83.018 0.683 11.660 1.00 5.94 C ATOM 88 C GLU A 113 84.201 0.993 12.571 1.00 6.10 C ATOM 89 O GLU A 113 84.070 1.737 13.543 1.00 6.17 O ATOM 90 CB GLU A 113 82.801 -0.830 11.581 1.00 6.32 C ATOM 91 CG GLU A 113 82.121 -1.411 12.810 1.00 6.89 C ATOM 92 CD GLU A 113 81.685 -2.850 12.610 1.00 7.44 C ATOM 93 OE1 GLU A 113 80.623 -3.066 11.991 1.00 7.69 O ATOM 94 OE2 GLU A 113 82.407 -3.758 13.071 1.00 7.92 O ATOM 0 H GLU A 113 83.661 0.584 9.667 1.00 5.43 H new ATOM 0 HA GLU A 113 82.127 1.149 12.081 1.00 5.94 H new ATOM 0 HB2 GLU A 113 82.199 -1.057 10.701 1.00 6.32 H new ATOM 0 HB3 GLU A 113 83.765 -1.320 11.443 1.00 6.32 H new ATOM 0 HG2 GLU A 113 82.804 -1.357 13.658 1.00 6.89 H new ATOM 0 HG3 GLU A 113 81.252 -0.803 13.061 1.00 6.89 H new ATOM 101 N ARG A 114 85.356 0.416 12.252 1.00 6.45 N ATOM 102 CA ARG A 114 86.562 0.632 13.042 1.00 6.82 C ATOM 103 C ARG A 114 87.568 1.487 12.278 1.00 6.52 C ATOM 104 O ARG A 114 87.344 1.840 11.119 1.00 6.48 O ATOM 105 CB ARG A 114 87.198 -0.709 13.417 1.00 7.39 C ATOM 106 CG ARG A 114 86.225 -1.683 14.066 1.00 8.23 C ATOM 107 CD ARG A 114 85.997 -2.911 13.198 1.00 8.84 C ATOM 108 NE ARG A 114 85.495 -4.043 13.972 1.00 9.52 N ATOM 109 CZ ARG A 114 86.227 -4.722 14.853 1.00 10.11 C ATOM 110 NH1 ARG A 114 87.492 -4.385 15.073 1.00 10.12 N ATOM 111 NH2 ARG A 114 85.693 -5.738 15.516 1.00 10.88 N ATOM 0 H ARG A 114 85.481 -0.204 11.452 1.00 6.45 H new ATOM 0 HA ARG A 114 86.279 1.161 13.952 1.00 6.82 H new ATOM 0 HB2 ARG A 114 87.615 -1.168 12.520 1.00 7.39 H new ATOM 0 HB3 ARG A 114 88.029 -0.530 14.099 1.00 7.39 H new ATOM 0 HG2 ARG A 114 86.611 -1.991 15.038 1.00 8.23 H new ATOM 0 HG3 ARG A 114 85.274 -1.182 14.245 1.00 8.23 H new ATOM 0 HD2 ARG A 114 85.287 -2.669 12.407 1.00 8.84 H new ATOM 0 HD3 ARG A 114 86.932 -3.190 12.712 1.00 8.84 H new ATOM 0 HE ARG A 114 84.527 -4.330 13.829 1.00 9.52 H new ATOM 0 HH11 ARG A 114 87.907 -3.603 14.566 1.00 10.12 H new ATOM 0 HH12 ARG A 114 88.049 -4.908 15.749 1.00 10.12 H new ATOM 0 HH21 ARG A 114 84.721 -6.000 15.351 1.00 10.88 H new ATOM 0 HH22 ARG A 114 86.254 -6.258 16.191 1.00 10.88 H new ATOM 125 N GLY A 115 88.676 1.817 12.934 1.00 6.59 N ATOM 126 CA GLY A 115 89.699 2.629 12.299 1.00 6.53 C ATOM 127 C GLY A 115 90.169 3.768 13.184 1.00 6.78 C ATOM 128 O GLY A 115 89.358 4.539 13.696 1.00 6.99 O ATOM 0 H GLY A 115 88.884 1.537 13.893 1.00 6.59 H new ATOM 0 HA2 GLY A 115 90.550 1.999 12.041 1.00 6.53 H new ATOM 0 HA3 GLY A 115 89.309 3.035 11.366 1.00 6.53 H new ATOM 132 N GLU A 116 91.481 3.874 13.361 1.00 6.92 N ATOM 133 CA GLU A 116 92.057 4.927 14.189 1.00 7.28 C ATOM 134 C GLU A 116 92.376 6.163 13.354 1.00 7.01 C ATOM 135 O GLU A 116 92.217 7.293 13.813 1.00 7.37 O ATOM 136 CB GLU A 116 93.325 4.425 14.882 1.00 7.73 C ATOM 137 CG GLU A 116 93.051 3.467 16.030 1.00 8.27 C ATOM 138 CD GLU A 116 92.256 4.110 17.149 1.00 8.72 C ATOM 139 OE1 GLU A 116 91.027 4.271 16.986 1.00 8.96 O ATOM 140 OE2 GLU A 116 92.859 4.452 18.187 1.00 9.05 O ATOM 0 H GLU A 116 92.166 3.244 12.943 1.00 6.92 H new ATOM 0 HA GLU A 116 91.322 5.201 14.946 1.00 7.28 H new ATOM 0 HB2 GLU A 116 93.958 3.927 14.147 1.00 7.73 H new ATOM 0 HB3 GLU A 116 93.886 5.280 15.259 1.00 7.73 H new ATOM 0 HG2 GLU A 116 92.506 2.601 15.654 1.00 8.27 H new ATOM 0 HG3 GLU A 116 93.998 3.100 16.426 1.00 8.27 H new ATOM 147 N GLY A 117 92.829 5.938 12.124 1.00 6.59 N ATOM 148 CA GLY A 117 93.164 7.042 11.244 1.00 6.40 C ATOM 149 C GLY A 117 92.562 6.882 9.861 1.00 5.64 C ATOM 150 O GLY A 117 91.570 7.532 9.530 1.00 5.49 O ATOM 0 H GLY A 117 92.970 5.011 11.722 1.00 6.59 H new ATOM 0 HA2 GLY A 117 92.812 7.974 11.685 1.00 6.40 H new ATOM 0 HA3 GLY A 117 94.248 7.119 11.159 1.00 6.40 H new ATOM 154 N HIS A 118 93.164 6.015 9.053 1.00 5.19 N ATOM 155 CA HIS A 118 92.680 5.772 7.698 1.00 4.46 C ATOM 156 C HIS A 118 91.327 5.070 7.723 1.00 4.06 C ATOM 157 O HIS A 118 91.096 4.177 8.538 1.00 4.20 O ATOM 158 CB HIS A 118 93.687 4.923 6.920 1.00 4.14 C ATOM 159 CG HIS A 118 95.014 5.587 6.727 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.111 6.899 6.333 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.261 5.078 6.880 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.405 7.160 6.255 1.00 4.97 C ATOM 163 NE2 HIS A 118 97.141 6.085 6.578 1.00 4.60 N ATOM 0 H HIS A 118 93.986 5.470 9.312 1.00 5.19 H new ATOM 0 HA HIS A 118 92.564 6.736 7.203 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.836 3.980 7.446 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.267 4.681 5.944 1.00 4.14 H new ATOM 0 HD2 HIS A 118 96.513 4.072 7.182 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.817 8.116 5.968 1.00 4.97 H new ATOM 0 HE2 HIS A 118 98.159 6.028 6.595 1.00 4.60 H new ATOM 171 N ARG A 119 90.437 5.471 6.821 1.00 3.68 N ATOM 172 CA ARG A 119 89.113 4.870 6.740 1.00 3.29 C ATOM 173 C ARG A 119 89.137 3.647 5.830 1.00 2.55 C ATOM 174 O ARG A 119 88.512 2.628 6.125 1.00 2.42 O ATOM 175 CB ARG A 119 88.091 5.890 6.226 1.00 3.40 C ATOM 176 CG ARG A 119 88.453 6.492 4.879 1.00 3.29 C ATOM 177 CD ARG A 119 87.286 7.261 4.282 1.00 3.67 C ATOM 178 NE ARG A 119 86.073 6.448 4.215 1.00 3.86 N ATOM 179 CZ ARG A 119 84.868 6.936 3.938 1.00 4.35 C ATOM 180 NH1 ARG A 119 84.707 8.232 3.700 1.00 4.64 N ATOM 181 NH2 ARG A 119 83.818 6.125 3.897 1.00 4.88 N ATOM 0 H ARG A 119 90.609 6.208 6.138 1.00 3.68 H new ATOM 0 HA ARG A 119 88.818 4.555 7.741 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.117 5.407 6.148 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.992 6.692 6.958 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.308 7.158 4.995 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.756 5.700 4.195 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.094 8.151 4.881 1.00 3.67 H new ATOM 0 HD3 ARG A 119 87.550 7.602 3.281 1.00 3.67 H new ATOM 0 HE ARG A 119 86.156 5.447 4.391 1.00 3.86 H new ATOM 0 HH11 ARG A 119 85.511 8.860 3.729 1.00 4.64 H new ATOM 0 HH12 ARG A 119 83.780 8.600 3.488 1.00 4.64 H new ATOM 0 HH21 ARG A 119 83.936 5.128 4.078 1.00 4.88 H new ATOM 0 HH22 ARG A 119 82.893 6.499 3.685 1.00 4.88 H new ATOM 195 N PHE A 120 89.874 3.755 4.729 1.00 2.20 N ATOM 196 CA PHE A 120 89.998 2.659 3.773 1.00 1.52 C ATOM 197 C PHE A 120 88.632 2.189 3.283 1.00 1.27 C ATOM 198 O PHE A 120 87.893 1.527 4.011 1.00 1.46 O ATOM 199 CB PHE A 120 90.748 1.488 4.406 1.00 1.60 C ATOM 200 CG PHE A 120 92.226 1.725 4.546 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.030 1.847 3.425 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.807 1.827 5.800 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.389 2.064 3.552 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.165 2.044 5.932 1.00 2.70 C ATOM 205 CZ PHE A 120 94.958 2.163 4.807 1.00 2.25 C ATOM 0 H PHE A 120 90.396 4.594 4.476 1.00 2.20 H new ATOM 0 HA PHE A 120 90.559 3.030 2.915 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.326 1.287 5.391 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.587 0.595 3.802 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.590 1.772 2.441 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.192 1.736 6.683 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.006 2.156 2.670 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.607 2.121 6.915 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.020 2.333 4.908 1.00 2.25 H new ATOM 215 N VAL A 121 88.308 2.526 2.040 1.00 1.28 N ATOM 216 CA VAL A 121 87.035 2.130 1.449 1.00 1.47 C ATOM 217 C VAL A 121 87.212 0.907 0.559 1.00 1.73 C ATOM 218 O VAL A 121 87.779 0.994 -0.530 1.00 2.05 O ATOM 219 CB VAL A 121 86.412 3.268 0.617 1.00 2.05 C ATOM 220 CG1 VAL A 121 84.930 3.009 0.389 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.628 4.613 1.291 1.00 2.59 C ATOM 0 H VAL A 121 88.909 3.072 1.422 1.00 1.28 H new ATOM 0 HA VAL A 121 86.364 1.893 2.274 1.00 1.47 H new ATOM 0 HB VAL A 121 86.909 3.295 -0.352 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.505 3.822 -0.200 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.803 2.068 -0.146 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.419 2.951 1.350 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.179 5.400 0.685 1.00 2.59 H new ATOM 0 HG22 VAL A 121 86.163 4.605 2.277 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.697 4.800 1.395 1.00 2.59 H new ATOM 231 N GLU A 122 86.727 -0.235 1.031 1.00 1.96 N ATOM 232 CA GLU A 122 86.830 -1.482 0.283 1.00 2.61 C ATOM 233 C GLU A 122 86.142 -1.364 -1.072 1.00 3.15 C ATOM 234 O GLU A 122 84.963 -1.022 -1.154 1.00 3.31 O ATOM 235 CB GLU A 122 86.215 -2.633 1.082 1.00 3.09 C ATOM 236 CG GLU A 122 86.931 -2.912 2.393 1.00 3.41 C ATOM 237 CD GLU A 122 85.970 -3.199 3.532 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.188 -4.166 3.418 1.00 4.17 O ATOM 239 OE2 GLU A 122 86.000 -2.458 4.536 1.00 4.00 O ATOM 0 H GLU A 122 86.257 -0.323 1.932 1.00 1.96 H new ATOM 0 HA GLU A 122 87.887 -1.689 0.116 1.00 2.61 H new ATOM 0 HB2 GLU A 122 85.170 -2.403 1.290 1.00 3.09 H new ATOM 0 HB3 GLU A 122 86.227 -3.536 0.471 1.00 3.09 H new ATOM 0 HG2 GLU A 122 87.600 -3.763 2.264 1.00 3.41 H new ATOM 0 HG3 GLU A 122 87.552 -2.055 2.653 1.00 3.41 H new ATOM 246 N LEU A 123 86.887 -1.647 -2.136 1.00 3.56 N ATOM 247 CA LEU A 123 86.350 -1.574 -3.490 1.00 4.25 C ATOM 248 C LEU A 123 85.832 -2.937 -3.944 1.00 4.92 C ATOM 249 O LEU A 123 86.375 -3.975 -3.566 1.00 5.12 O ATOM 250 CB LEU A 123 87.423 -1.068 -4.459 1.00 4.48 C ATOM 251 CG LEU A 123 87.075 0.229 -5.190 1.00 4.92 C ATOM 252 CD1 LEU A 123 88.151 0.573 -6.208 1.00 5.51 C ATOM 253 CD2 LEU A 123 85.717 0.112 -5.866 1.00 5.24 C ATOM 0 H LEU A 123 87.866 -1.929 -2.086 1.00 3.56 H new ATOM 0 HA LEU A 123 85.515 -0.873 -3.488 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.349 -0.917 -3.905 1.00 4.48 H new ATOM 0 HB3 LEU A 123 87.617 -1.844 -5.200 1.00 4.48 H new ATOM 0 HG LEU A 123 87.026 1.035 -4.457 1.00 4.92 H new ATOM 0 HD11 LEU A 123 87.886 1.499 -6.718 1.00 5.51 H new ATOM 0 HD12 LEU A 123 89.106 0.700 -5.699 1.00 5.51 H new ATOM 0 HD13 LEU A 123 88.233 -0.233 -6.937 1.00 5.51 H new ATOM 0 HD21 LEU A 123 85.486 1.044 -6.381 1.00 5.24 H new ATOM 0 HD22 LEU A 123 85.739 -0.705 -6.587 1.00 5.24 H new ATOM 0 HD23 LEU A 123 84.953 -0.087 -5.115 1.00 5.24 H new ATOM 265 N ALA A 124 84.783 -2.924 -4.758 1.00 5.38 N ATOM 266 CA ALA A 124 84.193 -4.158 -5.264 1.00 6.08 C ATOM 267 C ALA A 124 84.909 -4.628 -6.526 1.00 6.69 C ATOM 268 O ALA A 124 85.035 -3.879 -7.494 1.00 7.13 O ATOM 269 CB ALA A 124 82.710 -3.960 -5.538 1.00 6.38 C ATOM 0 H ALA A 124 84.323 -2.073 -5.082 1.00 5.38 H new ATOM 0 HA ALA A 124 84.309 -4.929 -4.502 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.282 -4.889 -5.915 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.204 -3.676 -4.615 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.579 -3.173 -6.280 1.00 6.38 H new ATOM 275 N LEU A 125 85.375 -5.872 -6.507 1.00 6.81 N ATOM 276 CA LEU A 125 86.080 -6.437 -7.653 1.00 7.42 C ATOM 277 C LEU A 125 85.098 -7.065 -8.641 1.00 8.16 C ATOM 278 O LEU A 125 84.685 -6.422 -9.605 1.00 8.46 O ATOM 279 CB LEU A 125 87.103 -7.476 -7.186 1.00 7.36 C ATOM 280 CG LEU A 125 88.402 -6.898 -6.622 1.00 6.97 C ATOM 281 CD1 LEU A 125 89.212 -6.232 -7.722 1.00 6.96 C ATOM 282 CD2 LEU A 125 88.102 -5.909 -5.504 1.00 7.07 C ATOM 0 H LEU A 125 85.278 -6.507 -5.714 1.00 6.81 H new ATOM 0 HA LEU A 125 86.606 -5.630 -8.163 1.00 7.42 H new ATOM 0 HB2 LEU A 125 86.640 -8.102 -6.423 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.347 -8.126 -8.026 1.00 7.36 H new ATOM 0 HG LEU A 125 88.993 -7.716 -6.209 1.00 6.97 H new ATOM 0 HD11 LEU A 125 90.132 -5.827 -7.302 1.00 6.96 H new ATOM 0 HD12 LEU A 125 89.456 -6.966 -8.490 1.00 6.96 H new ATOM 0 HD13 LEU A 125 88.629 -5.424 -8.165 1.00 6.96 H new ATOM 0 HD21 LEU A 125 89.037 -5.507 -5.113 1.00 7.07 H new ATOM 0 HD22 LEU A 125 87.491 -5.094 -5.893 1.00 7.07 H new ATOM 0 HD23 LEU A 125 87.563 -6.417 -4.704 1.00 7.07 H new ATOM 294 N ARG A 126 84.726 -8.321 -8.396 1.00 8.60 N ATOM 295 CA ARG A 126 83.793 -9.030 -9.266 1.00 9.37 C ATOM 296 C ARG A 126 84.309 -9.069 -10.705 1.00 9.91 C ATOM 297 O ARG A 126 84.943 -10.041 -11.119 1.00 10.39 O ATOM 298 CB ARG A 126 82.410 -8.374 -9.212 1.00 9.55 C ATOM 299 CG ARG A 126 81.397 -9.156 -8.393 1.00 9.90 C ATOM 300 CD ARG A 126 79.976 -8.903 -8.873 1.00 10.24 C ATOM 301 NE ARG A 126 79.745 -9.446 -10.209 1.00 10.60 N ATOM 302 CZ ARG A 126 79.646 -10.746 -10.475 1.00 11.07 C ATOM 303 NH1 ARG A 126 79.763 -11.640 -9.500 1.00 11.25 N ATOM 304 NH2 ARG A 126 79.431 -11.156 -11.717 1.00 11.57 N ATOM 0 H ARG A 126 85.058 -8.867 -7.601 1.00 8.60 H new ATOM 0 HA ARG A 126 83.708 -10.056 -8.908 1.00 9.37 H new ATOM 0 HB2 ARG A 126 82.508 -7.373 -8.793 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.032 -8.259 -10.228 1.00 9.55 H new ATOM 0 HG2 ARG A 126 81.620 -10.221 -8.458 1.00 9.90 H new ATOM 0 HG3 ARG A 126 81.483 -8.876 -7.343 1.00 9.90 H new ATOM 0 HD2 ARG A 126 79.271 -9.352 -8.173 1.00 10.24 H new ATOM 0 HD3 ARG A 126 79.781 -7.831 -8.879 1.00 10.24 H new ATOM 0 HE ARG A 126 79.654 -8.790 -10.984 1.00 10.60 H new ATOM 0 HH11 ARG A 126 79.929 -11.331 -8.542 1.00 11.25 H new ATOM 0 HH12 ARG A 126 79.686 -12.635 -9.709 1.00 11.25 H new ATOM 0 HH21 ARG A 126 79.341 -10.475 -12.471 1.00 11.57 H new ATOM 0 HH22 ARG A 126 79.355 -12.153 -11.919 1.00 11.57 H new ATOM 318 N GLY A 127 84.038 -8.010 -11.462 1.00 9.94 N ATOM 319 CA GLY A 127 84.487 -7.946 -12.841 1.00 10.50 C ATOM 320 C GLY A 127 85.381 -6.749 -13.103 1.00 10.13 C ATOM 321 O GLY A 127 85.524 -6.310 -14.242 1.00 10.47 O ATOM 0 H GLY A 127 83.515 -7.194 -11.144 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.027 -8.860 -13.087 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.620 -7.900 -13.501 1.00 10.50 H new ATOM 325 N GLY A 128 85.983 -6.218 -12.041 1.00 9.48 N ATOM 326 CA GLY A 128 86.859 -5.071 -12.180 1.00 9.18 C ATOM 327 C GLY A 128 88.155 -5.237 -11.405 1.00 8.58 C ATOM 328 O GLY A 128 88.133 -5.360 -10.180 1.00 8.03 O ATOM 0 H GLY A 128 85.878 -6.563 -11.087 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.086 -4.916 -13.235 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.342 -4.177 -11.831 1.00 9.18 H new ATOM 332 N PRO A 129 89.312 -5.246 -12.093 1.00 8.71 N ATOM 333 CA PRO A 129 90.617 -5.403 -11.438 1.00 8.20 C ATOM 334 C PRO A 129 90.955 -4.235 -10.520 1.00 7.43 C ATOM 335 O PRO A 129 90.300 -3.193 -10.554 1.00 7.36 O ATOM 336 CB PRO A 129 91.608 -5.457 -12.607 1.00 8.64 C ATOM 337 CG PRO A 129 90.901 -4.801 -13.743 1.00 9.37 C ATOM 338 CD PRO A 129 89.443 -5.109 -13.554 1.00 9.42 C ATOM 0 HA PRO A 129 90.639 -6.286 -10.800 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.534 -4.935 -12.364 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.876 -6.485 -12.850 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.076 -3.725 -13.743 1.00 9.37 H new ATOM 0 HG3 PRO A 129 91.260 -5.182 -14.699 1.00 9.37 H new ATOM 0 HD2 PRO A 129 88.810 -4.311 -13.942 1.00 9.42 H new ATOM 0 HD3 PRO A 129 89.155 -6.024 -14.071 1.00 9.42 H new ATOM 346 N GLY A 130 91.995 -4.413 -9.711 1.00 6.90 N ATOM 347 CA GLY A 130 92.426 -3.372 -8.809 1.00 6.16 C ATOM 348 C GLY A 130 93.934 -3.288 -8.778 1.00 5.90 C ATOM 349 O GLY A 130 94.612 -4.310 -8.812 1.00 6.04 O ATOM 0 H GLY A 130 92.548 -5.269 -9.668 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.009 -2.415 -9.123 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.047 -3.571 -7.807 1.00 6.16 H new ATOM 353 N TRP A 131 94.465 -2.078 -8.745 1.00 5.60 N ATOM 354 CA TRP A 131 95.908 -1.900 -8.744 1.00 5.39 C ATOM 355 C TRP A 131 96.396 -1.283 -7.439 1.00 4.56 C ATOM 356 O TRP A 131 96.111 -0.124 -7.138 1.00 4.36 O ATOM 357 CB TRP A 131 96.318 -1.042 -9.938 1.00 5.91 C ATOM 358 CG TRP A 131 96.239 -1.779 -11.239 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.184 -2.513 -11.700 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.254 -1.859 -12.247 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.480 -3.047 -12.930 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.746 -2.659 -13.288 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.544 -1.334 -12.370 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.481 -2.944 -14.436 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.272 -1.617 -13.511 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.739 -2.415 -14.531 1.00 8.26 C ATOM 0 H TRP A 131 93.926 -1.212 -8.719 1.00 5.60 H new ATOM 0 HA TRP A 131 96.377 -2.880 -8.829 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.676 -0.163 -9.985 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.337 -0.685 -9.790 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.252 -2.653 -11.173 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.860 -3.636 -13.486 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.964 -0.719 -11.588 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 97.073 -3.561 -15.223 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.269 -1.216 -13.617 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.333 -2.617 -15.410 1.00 8.26 H new ATOM 377 N CYS A 132 97.136 -2.078 -6.671 1.00 4.17 N ATOM 378 CA CYS A 132 97.677 -1.638 -5.391 1.00 3.38 C ATOM 379 C CYS A 132 98.526 -0.379 -5.560 1.00 3.29 C ATOM 380 O CYS A 132 99.740 -0.455 -5.750 1.00 3.32 O ATOM 381 CB CYS A 132 98.512 -2.760 -4.774 1.00 3.20 C ATOM 382 SG CYS A 132 99.298 -2.330 -3.191 1.00 2.31 S ATOM 0 H CYS A 132 97.376 -3.038 -6.917 1.00 4.17 H new ATOM 0 HA CYS A 132 96.847 -1.397 -4.727 1.00 3.38 H new ATOM 0 HB2 CYS A 132 97.874 -3.631 -4.624 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.287 -3.051 -5.483 1.00 3.20 H new ATOM 387 N ASP A 133 97.872 0.777 -5.491 1.00 3.33 N ATOM 388 CA ASP A 133 98.549 2.064 -5.642 1.00 3.56 C ATOM 389 C ASP A 133 99.825 2.123 -4.807 1.00 3.14 C ATOM 390 O ASP A 133 100.802 2.768 -5.189 1.00 3.53 O ATOM 391 CB ASP A 133 97.613 3.206 -5.242 1.00 3.65 C ATOM 392 CG ASP A 133 96.482 3.401 -6.233 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.749 3.376 -7.453 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.327 3.581 -5.789 1.00 3.89 O ATOM 0 H ASP A 133 96.867 0.850 -5.330 1.00 3.33 H new ATOM 0 HA ASP A 133 98.824 2.173 -6.691 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.197 3.002 -4.255 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.185 4.130 -5.162 1.00 3.65 H new ATOM 399 N LEU A 134 99.808 1.447 -3.667 1.00 2.45 N ATOM 400 CA LEU A 134 100.959 1.420 -2.774 1.00 2.10 C ATOM 401 C LEU A 134 102.180 0.829 -3.481 1.00 2.27 C ATOM 402 O LEU A 134 103.239 1.453 -3.538 1.00 2.50 O ATOM 403 CB LEU A 134 100.610 0.615 -1.512 1.00 1.47 C ATOM 404 CG LEU A 134 101.781 -0.063 -0.792 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.290 0.810 0.344 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.356 -1.426 -0.270 1.00 1.35 C ATOM 0 H LEU A 134 99.007 0.908 -3.337 1.00 2.45 H new ATOM 0 HA LEU A 134 101.209 2.440 -2.483 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.115 1.283 -0.807 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.886 -0.153 -1.785 1.00 1.47 H new ATOM 0 HG LEU A 134 102.594 -0.201 -1.504 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.121 0.311 0.842 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.628 1.766 -0.055 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.486 0.980 1.061 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.196 -1.898 0.240 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.528 -1.306 0.429 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.039 -2.052 -1.104 1.00 1.35 H new ATOM 418 N CYS A 135 102.022 -0.376 -4.014 1.00 2.35 N ATOM 419 CA CYS A 135 103.109 -1.057 -4.715 1.00 2.66 C ATOM 420 C CYS A 135 103.035 -0.800 -6.216 1.00 3.37 C ATOM 421 O CYS A 135 103.958 -0.240 -6.807 1.00 3.63 O ATOM 422 CB CYS A 135 103.061 -2.565 -4.446 1.00 2.75 C ATOM 423 SG CYS A 135 102.554 -3.016 -2.753 1.00 2.27 S ATOM 0 H CYS A 135 101.151 -0.905 -3.975 1.00 2.35 H new ATOM 0 HA CYS A 135 104.051 -0.657 -4.338 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.371 -3.026 -5.153 1.00 2.75 H new ATOM 0 HB3 CYS A 135 104.047 -2.988 -4.641 1.00 2.75 H new ATOM 428 N GLY A 136 101.930 -1.214 -6.826 1.00 3.77 N ATOM 429 CA GLY A 136 101.752 -1.021 -8.255 1.00 4.51 C ATOM 430 C GLY A 136 101.431 -2.311 -8.990 1.00 5.01 C ATOM 431 O GLY A 136 101.567 -2.382 -10.212 1.00 5.65 O ATOM 0 H GLY A 136 101.153 -1.680 -6.357 1.00 3.77 H new ATOM 0 HA2 GLY A 136 100.948 -0.304 -8.422 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.660 -0.586 -8.674 1.00 4.51 H new ATOM 435 N ARG A 137 101.008 -3.332 -8.250 1.00 4.84 N ATOM 436 CA ARG A 137 100.671 -4.619 -8.847 1.00 5.43 C ATOM 437 C ARG A 137 99.159 -4.818 -8.892 1.00 5.63 C ATOM 438 O ARG A 137 98.395 -3.931 -8.511 1.00 5.30 O ATOM 439 CB ARG A 137 101.321 -5.756 -8.056 1.00 5.35 C ATOM 440 CG ARG A 137 102.835 -5.802 -8.193 1.00 5.18 C ATOM 441 CD ARG A 137 103.480 -6.489 -7.001 1.00 5.55 C ATOM 442 NE ARG A 137 104.817 -5.971 -6.727 1.00 5.46 N ATOM 443 CZ ARG A 137 105.711 -6.595 -5.963 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.413 -7.758 -5.397 1.00 6.61 N ATOM 445 NH2 ARG A 137 106.905 -6.053 -5.763 1.00 6.15 N ATOM 0 H ARG A 137 100.891 -3.293 -7.238 1.00 4.84 H new ATOM 0 HA ARG A 137 101.052 -4.629 -9.868 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.063 -5.649 -7.002 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.905 -6.706 -8.392 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.103 -6.330 -9.108 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.224 -4.788 -8.285 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.851 -6.353 -6.121 1.00 5.55 H new ATOM 0 HD3 ARG A 137 103.538 -7.561 -7.189 1.00 5.55 H new ATOM 0 HE ARG A 137 105.082 -5.079 -7.145 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.495 -8.178 -5.547 1.00 6.61 H new ATOM 0 HH12 ARG A 137 106.102 -8.232 -4.813 1.00 6.61 H new ATOM 0 HH21 ARG A 137 107.138 -5.159 -6.194 1.00 6.15 H new ATOM 0 HH22 ARG A 137 107.590 -6.531 -5.178 1.00 6.15 H new ATOM 459 N GLU A 138 98.732 -5.987 -9.360 1.00 6.20 N ATOM 460 CA GLU A 138 97.311 -6.299 -9.452 1.00 6.47 C ATOM 461 C GLU A 138 96.787 -6.852 -8.131 1.00 6.14 C ATOM 462 O GLU A 138 97.339 -7.804 -7.580 1.00 6.19 O ATOM 463 CB GLU A 138 97.060 -7.307 -10.575 1.00 7.34 C ATOM 464 CG GLU A 138 97.790 -8.627 -10.387 1.00 8.03 C ATOM 465 CD GLU A 138 97.465 -9.632 -11.473 1.00 8.64 C ATOM 466 OE1 GLU A 138 98.134 -9.604 -12.528 1.00 8.93 O ATOM 467 OE2 GLU A 138 96.542 -10.450 -11.269 1.00 9.02 O ATOM 0 H GLU A 138 99.350 -6.733 -9.681 1.00 6.20 H new ATOM 0 HA GLU A 138 96.777 -5.375 -9.675 1.00 6.47 H new ATOM 0 HB2 GLU A 138 95.990 -7.501 -10.644 1.00 7.34 H new ATOM 0 HB3 GLU A 138 97.366 -6.865 -11.523 1.00 7.34 H new ATOM 0 HG2 GLU A 138 98.865 -8.445 -10.375 1.00 8.03 H new ATOM 0 HG3 GLU A 138 97.527 -9.048 -9.417 1.00 8.03 H new ATOM 474 N VAL A 139 95.718 -6.244 -7.627 1.00 5.87 N ATOM 475 CA VAL A 139 95.116 -6.669 -6.370 1.00 5.60 C ATOM 476 C VAL A 139 93.982 -7.662 -6.611 1.00 6.26 C ATOM 477 O VAL A 139 93.047 -7.385 -7.361 1.00 6.56 O ATOM 478 CB VAL A 139 94.586 -5.461 -5.565 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.654 -4.382 -5.456 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.317 -4.900 -6.191 1.00 5.14 C ATOM 0 H VAL A 139 95.251 -5.454 -8.071 1.00 5.87 H new ATOM 0 HA VAL A 139 95.897 -7.160 -5.790 1.00 5.60 H new ATOM 0 HB VAL A 139 94.340 -5.806 -4.561 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.263 -3.539 -4.886 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.530 -4.787 -4.950 1.00 4.29 H new ATOM 0 HG13 VAL A 139 95.935 -4.046 -6.454 1.00 4.29 H new ATOM 0 HG21 VAL A 139 92.966 -4.051 -5.604 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.527 -4.575 -7.210 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.548 -5.672 -6.208 1.00 5.14 H new ATOM 490 N LEU A 140 94.076 -8.825 -5.972 1.00 6.55 N ATOM 491 CA LEU A 140 93.061 -9.861 -6.119 1.00 7.22 C ATOM 492 C LEU A 140 91.994 -9.745 -5.036 1.00 6.99 C ATOM 493 O LEU A 140 90.808 -9.593 -5.333 1.00 7.24 O ATOM 494 CB LEU A 140 93.709 -11.248 -6.062 1.00 7.76 C ATOM 495 CG LEU A 140 94.211 -11.785 -7.404 1.00 8.26 C ATOM 496 CD1 LEU A 140 93.042 -12.108 -8.320 1.00 8.62 C ATOM 497 CD2 LEU A 140 95.146 -10.782 -8.063 1.00 8.78 C ATOM 0 H LEU A 140 94.844 -9.072 -5.348 1.00 6.55 H new ATOM 0 HA LEU A 140 92.582 -9.725 -7.088 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.547 -11.212 -5.366 1.00 7.76 H new ATOM 0 HB3 LEU A 140 92.986 -11.954 -5.654 1.00 7.76 H new ATOM 0 HG LEU A 140 94.767 -12.704 -7.221 1.00 8.26 H new ATOM 0 HD11 LEU A 140 93.418 -12.489 -9.270 1.00 8.62 H new ATOM 0 HD12 LEU A 140 92.410 -12.863 -7.851 1.00 8.62 H new ATOM 0 HD13 LEU A 140 92.458 -11.205 -8.497 1.00 8.62 H new ATOM 0 HD21 LEU A 140 95.493 -11.180 -9.016 1.00 8.78 H new ATOM 0 HD22 LEU A 140 94.614 -9.846 -8.233 1.00 8.78 H new ATOM 0 HD23 LEU A 140 96.001 -10.600 -7.412 1.00 8.78 H new ATOM 509 N ARG A 141 92.420 -9.820 -3.780 1.00 6.56 N ATOM 510 CA ARG A 141 91.500 -9.726 -2.653 1.00 6.36 C ATOM 511 C ARG A 141 90.893 -8.330 -2.556 1.00 5.74 C ATOM 512 O ARG A 141 91.145 -7.470 -3.400 1.00 5.48 O ATOM 513 CB ARG A 141 92.220 -10.075 -1.349 1.00 6.20 C ATOM 514 CG ARG A 141 92.065 -11.531 -0.940 1.00 6.87 C ATOM 515 CD ARG A 141 92.945 -11.872 0.253 1.00 7.11 C ATOM 516 NE ARG A 141 94.122 -12.644 -0.141 1.00 7.57 N ATOM 517 CZ ARG A 141 94.850 -13.370 0.705 1.00 8.00 C ATOM 518 NH1 ARG A 141 94.527 -13.425 1.992 1.00 8.08 N ATOM 519 NH2 ARG A 141 95.905 -14.041 0.263 1.00 8.60 N ATOM 0 H ARG A 141 93.397 -9.946 -3.517 1.00 6.56 H new ATOM 0 HA ARG A 141 90.693 -10.440 -2.817 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.280 -9.847 -1.457 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.837 -9.439 -0.551 1.00 6.20 H new ATOM 0 HG2 ARG A 141 91.022 -11.732 -0.693 1.00 6.87 H new ATOM 0 HG3 ARG A 141 92.324 -12.175 -1.780 1.00 6.87 H new ATOM 0 HD2 ARG A 141 93.262 -10.952 0.745 1.00 7.11 H new ATOM 0 HD3 ARG A 141 92.366 -12.440 0.981 1.00 7.11 H new ATOM 0 HE ARG A 141 94.402 -12.625 -1.122 1.00 7.57 H new ATOM 0 HH11 ARG A 141 93.717 -12.909 2.337 1.00 8.08 H new ATOM 0 HH12 ARG A 141 95.088 -13.983 2.635 1.00 8.08 H new ATOM 0 HH21 ARG A 141 96.158 -14.001 -0.724 1.00 8.60 H new ATOM 0 HH22 ARG A 141 96.463 -14.597 0.910 1.00 8.60 H new ATOM 533 N GLN A 142 90.092 -8.111 -1.517 1.00 5.55 N ATOM 534 CA GLN A 142 89.447 -6.821 -1.303 1.00 4.97 C ATOM 535 C GLN A 142 90.486 -5.737 -1.043 1.00 4.20 C ATOM 536 O GLN A 142 91.201 -5.775 -0.042 1.00 3.88 O ATOM 537 CB GLN A 142 88.472 -6.902 -0.127 1.00 4.98 C ATOM 538 CG GLN A 142 87.062 -7.301 -0.533 1.00 5.49 C ATOM 539 CD GLN A 142 86.756 -8.755 -0.232 1.00 6.00 C ATOM 540 OE1 GLN A 142 87.530 -9.438 0.439 1.00 6.30 O ATOM 541 NE2 GLN A 142 85.624 -9.238 -0.729 1.00 6.42 N ATOM 0 H GLN A 142 89.874 -8.812 -0.809 1.00 5.55 H new ATOM 0 HA GLN A 142 88.893 -6.563 -2.205 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.850 -7.622 0.599 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.437 -5.934 0.373 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.345 -6.667 -0.011 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.930 -7.119 -1.600 1.00 5.49 H new ATOM 0 HE21 GLN A 142 85.011 -8.637 -1.280 1.00 6.42 H new ATOM 0 HE22 GLN A 142 85.367 -10.210 -0.560 1.00 6.42 H new ATOM 550 N ALA A 143 90.567 -4.773 -1.954 1.00 4.01 N ATOM 551 CA ALA A 143 91.521 -3.680 -1.825 1.00 3.31 C ATOM 552 C ALA A 143 90.973 -2.571 -0.933 1.00 2.66 C ATOM 553 O ALA A 143 89.791 -2.232 -1.000 1.00 2.78 O ATOM 554 CB ALA A 143 91.874 -3.133 -3.197 1.00 3.47 C ATOM 0 H ALA A 143 89.983 -4.727 -2.789 1.00 4.01 H new ATOM 0 HA ALA A 143 92.424 -4.069 -1.355 1.00 3.31 H new ATOM 0 HB1 ALA A 143 92.588 -2.316 -3.090 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.316 -3.925 -3.802 1.00 3.47 H new ATOM 0 HB3 ALA A 143 90.972 -2.765 -3.685 1.00 3.47 H new ATOM 560 N LEU A 144 91.842 -2.012 -0.098 1.00 2.03 N ATOM 561 CA LEU A 144 91.452 -0.939 0.810 1.00 1.43 C ATOM 562 C LEU A 144 91.927 0.412 0.284 1.00 1.04 C ATOM 563 O LEU A 144 93.125 0.693 0.258 1.00 0.81 O ATOM 564 CB LEU A 144 92.029 -1.195 2.203 1.00 1.45 C ATOM 565 CG LEU A 144 91.358 -2.329 2.981 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.356 -3.003 3.908 1.00 2.76 C ATOM 567 CD2 LEU A 144 90.166 -1.805 3.768 1.00 2.25 C ATOM 0 H LEU A 144 92.823 -2.284 -0.031 1.00 2.03 H new ATOM 0 HA LEU A 144 90.364 -0.919 0.874 1.00 1.43 H new ATOM 0 HB2 LEU A 144 93.091 -1.421 2.104 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.951 -0.278 2.787 1.00 1.45 H new ATOM 0 HG LEU A 144 90.998 -3.070 2.267 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.861 -3.807 4.453 1.00 2.76 H new ATOM 0 HD12 LEU A 144 93.177 -3.415 3.321 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.747 -2.272 4.616 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.702 -2.626 4.315 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.501 -1.044 4.472 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.440 -1.370 3.082 1.00 2.25 H new ATOM 579 N ARG A 145 90.980 1.241 -0.146 1.00 1.33 N ATOM 580 CA ARG A 145 91.304 2.558 -0.685 1.00 1.75 C ATOM 581 C ARG A 145 90.988 3.665 0.308 1.00 1.84 C ATOM 582 O ARG A 145 89.837 4.076 0.449 1.00 2.07 O ATOM 583 CB ARG A 145 90.534 2.800 -1.984 1.00 2.50 C ATOM 584 CG ARG A 145 91.127 3.904 -2.843 1.00 3.14 C ATOM 585 CD ARG A 145 90.268 4.183 -4.069 1.00 3.82 C ATOM 586 NE ARG A 145 91.047 4.135 -5.303 1.00 4.39 N ATOM 587 CZ ARG A 145 90.659 4.694 -6.447 1.00 4.96 C ATOM 588 NH1 ARG A 145 89.503 5.343 -6.520 1.00 5.14 N ATOM 589 NH2 ARG A 145 91.429 4.604 -7.522 1.00 5.67 N ATOM 0 H ARG A 145 89.983 1.024 -0.132 1.00 1.33 H new ATOM 0 HA ARG A 145 92.376 2.576 -0.884 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.510 1.875 -2.560 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.501 3.053 -1.743 1.00 2.50 H new ATOM 0 HG2 ARG A 145 91.224 4.814 -2.251 1.00 3.14 H new ATOM 0 HG3 ARG A 145 92.131 3.621 -3.158 1.00 3.14 H new ATOM 0 HD2 ARG A 145 89.461 3.452 -4.121 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.804 5.164 -3.971 1.00 3.82 H new ATOM 0 HE ARG A 145 91.941 3.644 -5.287 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.906 5.416 -5.696 1.00 5.14 H new ATOM 0 HH12 ARG A 145 89.212 5.769 -7.400 1.00 5.14 H new ATOM 0 HH21 ARG A 145 92.318 4.107 -7.472 1.00 5.67 H new ATOM 0 HH22 ARG A 145 91.132 5.032 -8.399 1.00 5.67 H new ATOM 603 N CYS A 146 92.018 4.156 0.986 1.00 1.92 N ATOM 604 CA CYS A 146 91.843 5.229 1.954 1.00 2.46 C ATOM 605 C CYS A 146 91.791 6.573 1.235 1.00 3.20 C ATOM 606 O CYS A 146 92.781 7.302 1.184 1.00 3.63 O ATOM 607 CB CYS A 146 92.978 5.216 2.982 1.00 2.60 C ATOM 608 SG CYS A 146 92.975 6.637 4.124 1.00 3.57 S ATOM 0 H CYS A 146 92.979 3.829 0.884 1.00 1.92 H new ATOM 0 HA CYS A 146 90.902 5.075 2.483 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.914 4.297 3.565 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.931 5.192 2.453 1.00 2.60 H new ATOM 613 N ALA A 147 90.626 6.888 0.675 1.00 3.42 N ATOM 614 CA ALA A 147 90.432 8.137 -0.052 1.00 4.19 C ATOM 615 C ALA A 147 90.709 9.362 0.822 1.00 4.75 C ATOM 616 O ALA A 147 90.742 10.488 0.325 1.00 5.41 O ATOM 617 CB ALA A 147 89.018 8.202 -0.610 1.00 4.35 C ATOM 0 H ALA A 147 89.799 6.292 0.712 1.00 3.42 H new ATOM 0 HA ALA A 147 91.150 8.152 -0.872 1.00 4.19 H new ATOM 0 HB1 ALA A 147 88.883 9.139 -1.151 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.856 7.364 -1.288 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.301 8.150 0.209 1.00 4.35 H new ATOM 623 N ASN A 148 90.910 9.144 2.120 1.00 4.58 N ATOM 624 CA ASN A 148 91.185 10.240 3.039 1.00 5.23 C ATOM 625 C ASN A 148 92.552 10.864 2.765 1.00 5.62 C ATOM 626 O ASN A 148 92.791 12.020 3.116 1.00 6.29 O ATOM 627 CB ASN A 148 91.108 9.755 4.487 1.00 5.11 C ATOM 628 CG ASN A 148 89.757 10.027 5.116 1.00 5.34 C ATOM 629 OD1 ASN A 148 88.804 10.400 4.431 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.665 9.843 6.428 1.00 5.41 N ATOM 0 H ASN A 148 90.887 8.222 2.555 1.00 4.58 H new ATOM 0 HA ASN A 148 90.426 11.006 2.881 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.312 8.685 4.520 1.00 5.11 H new ATOM 0 HB3 ASN A 148 91.884 10.246 5.074 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.780 10.012 6.906 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.480 9.533 6.958 1.00 5.41 H new ATOM 637 N CYS A 149 93.449 10.106 2.138 1.00 5.21 N ATOM 638 CA CYS A 149 94.782 10.613 1.830 1.00 5.54 C ATOM 639 C CYS A 149 95.597 9.595 1.044 1.00 5.02 C ATOM 640 O CYS A 149 96.203 9.925 0.024 1.00 5.26 O ATOM 641 CB CYS A 149 95.519 10.985 3.120 1.00 5.86 C ATOM 642 SG CYS A 149 95.338 9.767 4.462 1.00 5.35 S ATOM 0 H CYS A 149 93.278 9.147 1.836 1.00 5.21 H new ATOM 0 HA CYS A 149 94.664 11.503 1.212 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.579 11.108 2.897 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.152 11.950 3.469 1.00 5.86 H new ATOM 647 N LYS A 150 95.616 8.357 1.524 1.00 4.33 N ATOM 648 CA LYS A 150 96.367 7.294 0.864 1.00 3.79 C ATOM 649 C LYS A 150 95.666 6.850 -0.426 1.00 3.60 C ATOM 650 O LYS A 150 95.116 7.678 -1.153 1.00 4.14 O ATOM 651 CB LYS A 150 96.560 6.114 1.822 1.00 3.18 C ATOM 652 CG LYS A 150 96.923 6.531 3.240 1.00 3.63 C ATOM 653 CD LYS A 150 98.279 5.984 3.657 1.00 3.46 C ATOM 654 CE LYS A 150 99.391 6.509 2.763 1.00 3.65 C ATOM 655 NZ LYS A 150 99.633 7.963 2.969 1.00 3.87 N ATOM 0 H LYS A 150 95.121 8.064 2.366 1.00 4.33 H new ATOM 0 HA LYS A 150 97.349 7.679 0.589 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.643 5.526 1.849 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.344 5.465 1.432 1.00 3.18 H new ATOM 0 HG2 LYS A 150 96.933 7.619 3.308 1.00 3.63 H new ATOM 0 HG3 LYS A 150 96.159 6.175 3.931 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.481 6.261 4.692 1.00 3.46 H new ATOM 0 HD3 LYS A 150 98.261 4.895 3.616 1.00 3.46 H new ATOM 0 HE2 LYS A 150 100.309 5.957 2.964 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.133 6.329 1.719 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.652 8.159 2.896 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 99.123 8.506 2.244 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.294 8.241 3.912 1.00 3.87 H new ATOM 669 N PHE A 151 95.696 5.550 -0.713 1.00 2.95 N ATOM 670 CA PHE A 151 95.071 5.016 -1.921 1.00 2.98 C ATOM 671 C PHE A 151 94.643 3.561 -1.721 1.00 2.28 C ATOM 672 O PHE A 151 94.599 3.072 -0.592 1.00 1.66 O ATOM 673 CB PHE A 151 96.037 5.133 -3.108 1.00 3.44 C ATOM 674 CG PHE A 151 97.486 4.986 -2.732 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.879 4.055 -1.784 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.454 5.777 -3.328 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.209 3.916 -1.437 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.785 5.644 -2.985 1.00 3.41 C ATOM 679 CZ PHE A 151 100.165 4.712 -2.039 1.00 3.10 C ATOM 0 H PHE A 151 96.146 4.848 -0.126 1.00 2.95 H new ATOM 0 HA PHE A 151 94.177 5.602 -2.133 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.784 4.371 -3.846 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.893 6.101 -3.587 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.136 3.430 -1.310 1.00 3.36 H new ATOM 0 HD2 PHE A 151 98.164 6.507 -4.070 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.501 3.186 -0.696 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.529 6.269 -3.457 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.206 4.606 -1.771 1.00 3.10 H new ATOM 689 N THR A 152 94.318 2.875 -2.818 1.00 2.56 N ATOM 690 CA THR A 152 93.887 1.480 -2.749 1.00 2.30 C ATOM 691 C THR A 152 95.077 0.535 -2.615 1.00 2.04 C ATOM 692 O THR A 152 95.740 0.210 -3.599 1.00 2.50 O ATOM 693 CB THR A 152 93.067 1.115 -3.989 1.00 3.04 C ATOM 694 OG1 THR A 152 92.694 -0.251 -3.958 1.00 3.69 O ATOM 695 CG2 THR A 152 93.804 1.360 -5.288 1.00 3.48 C ATOM 0 H THR A 152 94.345 3.262 -3.761 1.00 2.56 H new ATOM 0 HA THR A 152 93.265 1.369 -1.861 1.00 2.30 H new ATOM 0 HB THR A 152 92.192 1.765 -3.959 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.169 -0.465 -4.758 1.00 3.69 H new ATOM 0 HG21 THR A 152 93.166 1.080 -6.127 1.00 3.48 H new ATOM 0 HG22 THR A 152 94.063 2.416 -5.366 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.714 0.760 -5.309 1.00 3.48 H new ATOM 703 N CYS A 153 95.337 0.096 -1.389 1.00 1.38 N ATOM 704 CA CYS A 153 96.443 -0.814 -1.120 1.00 1.29 C ATOM 705 C CYS A 153 95.949 -2.251 -0.990 1.00 1.85 C ATOM 706 O CYS A 153 94.764 -2.492 -0.753 1.00 2.08 O ATOM 707 CB CYS A 153 97.167 -0.403 0.163 1.00 0.64 C ATOM 708 SG CYS A 153 97.656 1.336 0.215 1.00 1.36 S ATOM 0 H CYS A 153 94.796 0.356 -0.565 1.00 1.38 H new ATOM 0 HA CYS A 153 97.135 -0.758 -1.960 1.00 1.29 H new ATOM 0 HB2 CYS A 153 96.520 -0.612 1.015 1.00 0.64 H new ATOM 0 HB3 CYS A 153 98.056 -1.022 0.279 1.00 0.64 H new ATOM 0 HG CYS A 153 97.680 1.816 -0.993 1.00 1.36 H new ATOM 714 N HIS A 154 96.865 -3.201 -1.133 1.00 2.20 N ATOM 715 CA HIS A 154 96.525 -4.615 -1.019 1.00 2.94 C ATOM 716 C HIS A 154 95.970 -4.917 0.370 1.00 3.04 C ATOM 717 O HIS A 154 96.306 -4.242 1.344 1.00 2.70 O ATOM 718 CB HIS A 154 97.754 -5.487 -1.285 1.00 3.32 C ATOM 719 CG HIS A 154 98.056 -5.690 -2.737 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.279 -5.358 -3.267 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.272 -6.200 -3.719 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.216 -5.670 -4.548 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.018 -6.184 -4.869 1.00 4.64 N ATOM 0 H HIS A 154 97.849 -3.018 -1.328 1.00 2.20 H new ATOM 0 HA HIS A 154 95.763 -4.843 -1.765 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.620 -5.032 -0.805 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.604 -6.460 -0.816 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.256 -6.551 -3.615 1.00 4.36 H new ATOM 0 HE1 HIS A 154 100.026 -5.530 -5.249 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.720 -6.502 -5.791 1.00 4.64 H new ATOM 731 N SER A 155 95.119 -5.933 0.456 1.00 3.67 N ATOM 732 CA SER A 155 94.515 -6.320 1.728 1.00 3.98 C ATOM 733 C SER A 155 95.580 -6.541 2.800 1.00 4.20 C ATOM 734 O SER A 155 95.616 -5.837 3.808 1.00 4.08 O ATOM 735 CB SER A 155 93.680 -7.588 1.554 1.00 4.76 C ATOM 736 OG SER A 155 92.775 -7.755 2.632 1.00 5.02 O ATOM 0 H SER A 155 94.831 -6.504 -0.339 1.00 3.67 H new ATOM 0 HA SER A 155 93.867 -5.506 2.053 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.127 -7.537 0.616 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.338 -8.455 1.490 1.00 4.76 H new ATOM 0 HG SER A 155 92.252 -8.572 2.496 1.00 5.02 H new ATOM 742 N GLU A 156 96.443 -7.527 2.578 1.00 4.69 N ATOM 743 CA GLU A 156 97.504 -7.847 3.528 1.00 5.06 C ATOM 744 C GLU A 156 98.511 -6.704 3.659 1.00 4.46 C ATOM 745 O GLU A 156 99.305 -6.676 4.598 1.00 4.76 O ATOM 746 CB GLU A 156 98.224 -9.128 3.103 1.00 5.69 C ATOM 747 CG GLU A 156 98.595 -9.157 1.630 1.00 6.28 C ATOM 748 CD GLU A 156 97.631 -9.985 0.801 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.050 -10.944 1.351 1.00 7.31 O ATOM 750 OE2 GLU A 156 97.457 -9.673 -0.394 1.00 7.29 O ATOM 0 H GLU A 156 96.429 -8.119 1.748 1.00 4.69 H new ATOM 0 HA GLU A 156 97.039 -7.997 4.502 1.00 5.06 H new ATOM 0 HB2 GLU A 156 99.129 -9.241 3.699 1.00 5.69 H new ATOM 0 HB3 GLU A 156 97.587 -9.984 3.326 1.00 5.69 H new ATOM 0 HG2 GLU A 156 98.617 -8.138 1.245 1.00 6.28 H new ATOM 0 HG3 GLU A 156 99.602 -9.561 1.521 1.00 6.28 H new ATOM 757 N CYS A 157 98.483 -5.767 2.713 1.00 3.72 N ATOM 758 CA CYS A 157 99.406 -4.637 2.739 1.00 3.15 C ATOM 759 C CYS A 157 98.995 -3.611 3.793 1.00 3.01 C ATOM 760 O CYS A 157 99.844 -2.938 4.377 1.00 3.02 O ATOM 761 CB CYS A 157 99.479 -3.972 1.364 1.00 2.51 C ATOM 762 SG CYS A 157 100.902 -4.507 0.356 1.00 2.62 S ATOM 0 H CYS A 157 97.836 -5.768 1.925 1.00 3.72 H new ATOM 0 HA CYS A 157 100.392 -5.021 3.001 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.560 -4.186 0.819 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.527 -2.891 1.497 1.00 2.51 H new ATOM 767 N ARG A 158 97.692 -3.492 4.029 1.00 3.04 N ATOM 768 CA ARG A 158 97.182 -2.538 5.014 1.00 3.06 C ATOM 769 C ARG A 158 97.874 -2.718 6.363 1.00 3.76 C ATOM 770 O ARG A 158 98.160 -1.745 7.061 1.00 3.88 O ATOM 771 CB ARG A 158 95.666 -2.691 5.174 1.00 3.18 C ATOM 772 CG ARG A 158 95.242 -4.010 5.800 1.00 3.57 C ATOM 773 CD ARG A 158 94.933 -3.853 7.280 1.00 4.14 C ATOM 774 NE ARG A 158 93.514 -3.599 7.518 1.00 4.64 N ATOM 775 CZ ARG A 158 92.892 -3.866 8.664 1.00 5.27 C ATOM 776 NH1 ARG A 158 93.560 -4.389 9.686 1.00 5.53 N ATOM 777 NH2 ARG A 158 91.598 -3.608 8.792 1.00 5.95 N ATOM 0 H ARG A 158 96.973 -4.039 3.556 1.00 3.04 H new ATOM 0 HA ARG A 158 97.399 -1.533 4.651 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.291 -1.872 5.788 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.196 -2.597 4.195 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.362 -4.393 5.283 1.00 3.57 H new ATOM 0 HG3 ARG A 158 96.034 -4.747 5.669 1.00 3.57 H new ATOM 0 HD2 ARG A 158 95.234 -4.756 7.811 1.00 4.14 H new ATOM 0 HD3 ARG A 158 95.522 -3.032 7.688 1.00 4.14 H new ATOM 0 HE ARG A 158 92.967 -3.192 6.760 1.00 4.64 H new ATOM 0 HH11 ARG A 158 94.556 -4.589 9.596 1.00 5.53 H new ATOM 0 HH12 ARG A 158 93.077 -4.591 10.561 1.00 5.53 H new ATOM 0 HH21 ARG A 158 91.079 -3.205 8.012 1.00 5.95 H new ATOM 0 HH22 ARG A 158 91.122 -3.813 9.670 1.00 5.95 H new ATOM 791 N SER A 159 98.142 -3.968 6.726 1.00 4.35 N ATOM 792 CA SER A 159 98.802 -4.269 7.990 1.00 5.07 C ATOM 793 C SER A 159 100.284 -3.902 7.944 1.00 5.04 C ATOM 794 O SER A 159 100.953 -3.861 8.978 1.00 5.56 O ATOM 795 CB SER A 159 98.645 -5.753 8.327 1.00 5.71 C ATOM 796 OG SER A 159 99.378 -6.563 7.422 1.00 6.02 O ATOM 0 H SER A 159 97.913 -4.787 6.163 1.00 4.35 H new ATOM 0 HA SER A 159 98.327 -3.669 8.766 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.989 -5.936 9.345 1.00 5.71 H new ATOM 0 HB3 SER A 159 97.591 -6.027 8.293 1.00 5.71 H new ATOM 0 HG SER A 159 99.099 -6.363 6.504 1.00 6.02 H new ATOM 802 N LEU A 160 100.797 -3.642 6.745 1.00 4.50 N ATOM 803 CA LEU A 160 102.202 -3.288 6.577 1.00 4.49 C ATOM 804 C LEU A 160 102.386 -1.788 6.342 1.00 4.25 C ATOM 805 O LEU A 160 103.500 -1.331 6.090 1.00 4.39 O ATOM 806 CB LEU A 160 102.807 -4.074 5.411 1.00 4.13 C ATOM 807 CG LEU A 160 103.436 -5.415 5.793 1.00 4.38 C ATOM 808 CD1 LEU A 160 102.425 -6.541 5.639 1.00 4.84 C ATOM 809 CD2 LEU A 160 104.671 -5.687 4.948 1.00 4.59 C ATOM 0 H LEU A 160 100.262 -3.670 5.877 1.00 4.50 H new ATOM 0 HA LEU A 160 102.719 -3.547 7.501 1.00 4.49 H new ATOM 0 HB2 LEU A 160 102.028 -4.253 4.670 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.567 -3.457 4.932 1.00 4.13 H new ATOM 0 HG LEU A 160 103.740 -5.366 6.839 1.00 4.38 H new ATOM 0 HD11 LEU A 160 102.890 -7.488 5.915 1.00 4.84 H new ATOM 0 HD12 LEU A 160 101.570 -6.354 6.288 1.00 4.84 H new ATOM 0 HD13 LEU A 160 102.090 -6.590 4.603 1.00 4.84 H new ATOM 0 HD21 LEU A 160 105.104 -6.645 5.235 1.00 4.59 H new ATOM 0 HD22 LEU A 160 104.392 -5.715 3.895 1.00 4.59 H new ATOM 0 HD23 LEU A 160 105.403 -4.896 5.108 1.00 4.59 H new ATOM 821 N ILE A 161 101.300 -1.022 6.429 1.00 4.04 N ATOM 822 CA ILE A 161 101.378 0.422 6.224 1.00 4.02 C ATOM 823 C ILE A 161 100.843 1.182 7.434 1.00 4.66 C ATOM 824 O ILE A 161 99.633 1.335 7.605 1.00 4.65 O ATOM 825 CB ILE A 161 100.608 0.860 4.959 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.785 2.360 4.720 1.00 2.89 C ATOM 827 CG2 ILE A 161 99.132 0.504 5.076 1.00 3.55 C ATOM 828 CD1 ILE A 161 100.514 2.783 3.293 1.00 2.37 C ATOM 0 H ILE A 161 100.365 -1.373 6.638 1.00 4.04 H new ATOM 0 HA ILE A 161 102.432 0.664 6.090 1.00 4.02 H new ATOM 0 HB ILE A 161 101.019 0.324 4.103 1.00 3.40 H new ATOM 0 HG12 ILE A 161 100.116 2.907 5.385 1.00 2.89 H new ATOM 0 HG13 ILE A 161 101.803 2.644 4.987 1.00 2.89 H new ATOM 0 HG21 ILE A 161 98.609 0.821 4.174 1.00 3.55 H new ATOM 0 HG22 ILE A 161 99.026 -0.574 5.196 1.00 3.55 H new ATOM 0 HG23 ILE A 161 98.703 1.010 5.941 1.00 3.55 H new ATOM 0 HD11 ILE A 161 100.659 3.859 3.199 1.00 2.37 H new ATOM 0 HD12 ILE A 161 101.200 2.264 2.623 1.00 2.37 H new ATOM 0 HD13 ILE A 161 99.487 2.531 3.027 1.00 2.37 H new ATOM 840 N GLN A 162 101.758 1.657 8.274 1.00 5.30 N ATOM 841 CA GLN A 162 101.385 2.402 9.471 1.00 6.01 C ATOM 842 C GLN A 162 101.620 3.898 9.277 1.00 6.16 C ATOM 843 O GLN A 162 102.421 4.510 9.986 1.00 6.76 O ATOM 844 CB GLN A 162 102.184 1.900 10.676 1.00 6.80 C ATOM 845 CG GLN A 162 102.116 0.394 10.867 1.00 6.97 C ATOM 846 CD GLN A 162 100.772 -0.067 11.395 1.00 7.56 C ATOM 847 OE1 GLN A 162 100.262 0.468 12.380 1.00 8.05 O ATOM 848 NE2 GLN A 162 100.190 -1.066 10.741 1.00 7.77 N ATOM 0 H GLN A 162 102.763 1.539 8.147 1.00 5.30 H new ATOM 0 HA GLN A 162 100.323 2.241 9.654 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.226 2.196 10.559 1.00 6.80 H new ATOM 0 HB3 GLN A 162 101.813 2.389 11.577 1.00 6.80 H new ATOM 0 HG2 GLN A 162 102.317 -0.099 9.916 1.00 6.97 H new ATOM 0 HG3 GLN A 162 102.900 0.083 11.558 1.00 6.97 H new ATOM 0 HE21 GLN A 162 100.649 -1.480 9.929 1.00 7.77 H new ATOM 0 HE22 GLN A 162 99.284 -1.419 11.050 1.00 7.77 H new ATOM 857 N LEU A 163 100.919 4.482 8.311 1.00 5.80 N ATOM 858 CA LEU A 163 101.053 5.905 8.026 1.00 6.11 C ATOM 859 C LEU A 163 99.900 6.696 8.636 1.00 6.27 C ATOM 860 O LEU A 163 98.749 6.260 8.603 1.00 6.00 O ATOM 861 CB LEU A 163 101.110 6.140 6.513 1.00 5.81 C ATOM 862 CG LEU A 163 102.246 7.049 6.041 1.00 6.22 C ATOM 863 CD1 LEU A 163 102.770 6.589 4.689 1.00 6.32 C ATOM 864 CD2 LEU A 163 101.778 8.495 5.968 1.00 6.57 C ATOM 0 H LEU A 163 100.253 3.992 7.713 1.00 5.80 H new ATOM 0 HA LEU A 163 101.983 6.254 8.476 1.00 6.11 H new ATOM 0 HB2 LEU A 163 101.206 5.176 6.014 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.162 6.572 6.192 1.00 5.81 H new ATOM 0 HG LEU A 163 103.059 6.987 6.764 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.578 7.247 4.369 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.145 5.569 4.772 1.00 6.32 H new ATOM 0 HD13 LEU A 163 101.964 6.621 3.956 1.00 6.32 H new ATOM 0 HD21 LEU A 163 102.600 9.127 5.630 1.00 6.57 H new ATOM 0 HD22 LEU A 163 100.948 8.574 5.266 1.00 6.57 H new ATOM 0 HD23 LEU A 163 101.451 8.822 6.955 1.00 6.57 H new ATOM 876 N ASP A 164 100.216 7.861 9.193 1.00 6.82 N ATOM 877 CA ASP A 164 99.206 8.712 9.811 1.00 7.11 C ATOM 878 C ASP A 164 98.359 9.408 8.750 1.00 6.85 C ATOM 879 O ASP A 164 98.879 9.879 7.739 1.00 6.80 O ATOM 880 CB ASP A 164 99.869 9.753 10.714 1.00 7.92 C ATOM 881 CG ASP A 164 100.928 10.559 9.989 1.00 8.46 C ATOM 882 OD1 ASP A 164 100.559 11.508 9.265 1.00 8.87 O ATOM 883 OD2 ASP A 164 102.125 10.242 10.144 1.00 8.71 O ATOM 0 H ASP A 164 101.163 8.237 9.229 1.00 6.82 H new ATOM 0 HA ASP A 164 98.554 8.080 10.415 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.108 10.428 11.105 1.00 7.92 H new ATOM 0 HB3 ASP A 164 100.321 9.252 11.570 1.00 7.92 H new ATOM 888 N CYS A 165 97.053 9.467 8.988 1.00 6.77 N ATOM 889 CA CYS A 165 96.136 10.106 8.052 1.00 6.61 C ATOM 890 C CYS A 165 96.482 11.578 7.870 1.00 7.27 C ATOM 891 O CYS A 165 96.225 12.401 8.749 1.00 7.79 O ATOM 892 CB CYS A 165 94.693 9.962 8.536 1.00 6.46 C ATOM 893 SG CYS A 165 93.444 10.175 7.227 1.00 5.92 S ATOM 0 H CYS A 165 96.607 9.081 9.820 1.00 6.77 H new ATOM 0 HA CYS A 165 96.237 9.607 7.088 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.568 8.977 8.985 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.510 10.696 9.321 1.00 6.46 H new ATOM 898 N ARG A 166 97.066 11.900 6.723 1.00 7.27 N ATOM 899 CA ARG A 166 97.451 13.272 6.419 1.00 7.93 C ATOM 900 C ARG A 166 96.228 14.120 6.086 1.00 8.10 C ATOM 901 O ARG A 166 96.053 15.204 6.638 1.00 0.00 O ATOM 902 CB ARG A 166 98.440 13.299 5.251 1.00 7.96 C ATOM 903 CG ARG A 166 99.655 12.409 5.460 1.00 7.80 C ATOM 904 CD ARG A 166 99.580 11.149 4.610 1.00 8.18 C ATOM 905 NE ARG A 166 99.958 11.402 3.223 1.00 8.38 N ATOM 906 CZ ARG A 166 101.217 11.506 2.805 1.00 8.69 C ATOM 907 NH1 ARG A 166 102.222 11.373 3.661 1.00 8.85 N ATOM 908 NH2 ARG A 166 101.473 11.742 1.525 1.00 9.07 N ATOM 0 H ARG A 166 97.284 11.228 5.987 1.00 7.27 H new ATOM 0 HA ARG A 166 97.931 13.693 7.302 1.00 7.93 H new ATOM 0 HB2 ARG A 166 97.924 12.988 4.342 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.774 14.324 5.093 1.00 7.96 H new ATOM 0 HG2 ARG A 166 100.560 12.963 5.211 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.729 12.135 6.512 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.236 10.388 5.032 1.00 8.18 H new ATOM 0 HD3 ARG A 166 98.566 10.750 4.642 1.00 8.18 H new ATOM 0 HE ARG A 166 99.213 11.505 2.534 1.00 8.38 H new ATOM 0 HH11 ARG A 166 102.032 11.190 4.646 1.00 8.85 H new ATOM 0 HH12 ARG A 166 103.185 11.454 3.334 1.00 8.85 H new ATOM 0 HH21 ARG A 166 100.705 11.844 0.862 1.00 9.07 H new ATOM 0 HH22 ARG A 166 102.438 11.822 1.204 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.462 -4.105 -1.867 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.653 8.431 5.742 1.00 4.87 ZN