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= -0.0522 K(o=-0.052,f=-1.8!) USER MOD Single : A 148 ASN : amide:sc=-0.00266 X(o=-0.0027,f=-0.17) USER MOD Single : A 150 LYS NZ :NH3+ 175:sc= -0.22 (180deg=-0.296) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.457 USER MOD Single : A 153 CYS SG : rot -42:sc= 0.0954 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= -0.813 K(o=-0.81,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 78.615 -5.410 0.128 1.00 10.33 N ATOM 2 CA PRO A 108 78.785 -5.131 1.579 1.00 9.87 C ATOM 3 C PRO A 108 78.039 -3.866 2.003 1.00 9.14 C ATOM 4 O PRO A 108 78.452 -2.753 1.679 1.00 9.03 O ATOM 5 CB PRO A 108 80.280 -4.981 1.847 1.00 10.34 C ATOM 6 CG PRO A 108 80.925 -5.344 0.552 1.00 11.01 C ATOM 7 CD PRO A 108 79.896 -5.091 -0.523 1.00 10.96 C ATOM 0 HA PRO A 108 78.365 -5.952 2.160 1.00 9.87 H new ATOM 0 HB2 PRO A 108 80.531 -3.963 2.144 1.00 10.34 H new ATOM 0 HB3 PRO A 108 80.608 -5.638 2.653 1.00 10.34 H new ATOM 0 HG2 PRO A 108 81.819 -4.744 0.382 1.00 11.01 H new ATOM 0 HG3 PRO A 108 81.237 -6.388 0.553 1.00 11.01 H new ATOM 0 HD2 PRO A 108 79.923 -4.057 -0.866 1.00 10.96 H new ATOM 0 HD3 PRO A 108 80.068 -5.721 -1.396 1.00 10.96 H new ATOM 17 N ARG A 109 76.937 -4.048 2.724 1.00 8.91 N ATOM 18 CA ARG A 109 76.129 -2.925 3.187 1.00 8.49 C ATOM 19 C ARG A 109 76.569 -2.459 4.575 1.00 7.86 C ATOM 20 O ARG A 109 75.786 -1.854 5.309 1.00 7.78 O ATOM 21 CB ARG A 109 74.650 -3.320 3.215 1.00 8.84 C ATOM 22 CG ARG A 109 73.807 -2.594 2.178 1.00 9.50 C ATOM 23 CD ARG A 109 72.870 -1.583 2.822 1.00 10.20 C ATOM 24 NE ARG A 109 71.482 -2.041 2.813 1.00 10.78 N ATOM 25 CZ ARG A 109 70.902 -2.690 3.823 1.00 11.32 C ATOM 26 NH1 ARG A 109 71.580 -2.958 4.932 1.00 11.37 N ATOM 27 NH2 ARG A 109 69.635 -3.070 3.723 1.00 12.00 N ATOM 0 H ARG A 109 76.583 -4.964 3.001 1.00 8.91 H new ATOM 0 HA ARG A 109 76.271 -2.098 2.491 1.00 8.49 H new ATOM 0 HB2 ARG A 109 74.566 -4.394 3.052 1.00 8.84 H new ATOM 0 HB3 ARG A 109 74.247 -3.116 4.207 1.00 8.84 H new ATOM 0 HG2 ARG A 109 74.460 -2.085 1.470 1.00 9.50 H new ATOM 0 HG3 ARG A 109 73.225 -3.319 1.610 1.00 9.50 H new ATOM 0 HD2 ARG A 109 73.185 -1.400 3.849 1.00 10.20 H new ATOM 0 HD3 ARG A 109 72.942 -0.633 2.292 1.00 10.20 H new ATOM 0 HE ARG A 109 70.922 -1.852 1.982 1.00 10.78 H new ATOM 0 HH11 ARG A 109 72.554 -2.667 5.017 1.00 11.37 H new ATOM 0 HH12 ARG A 109 71.127 -3.455 5.699 1.00 11.37 H new ATOM 0 HH21 ARG A 109 69.107 -2.866 2.875 1.00 12.00 H new ATOM 0 HH22 ARG A 109 69.189 -3.567 4.494 1.00 12.00 H new ATOM 41 N VAL A 110 77.817 -2.742 4.932 1.00 7.68 N ATOM 42 CA VAL A 110 78.346 -2.347 6.231 1.00 7.34 C ATOM 43 C VAL A 110 78.835 -0.902 6.211 1.00 6.54 C ATOM 44 O VAL A 110 79.639 -0.521 5.360 1.00 6.26 O ATOM 45 CB VAL A 110 79.504 -3.263 6.673 1.00 7.82 C ATOM 46 CG1 VAL A 110 78.972 -4.622 7.108 1.00 8.21 C ATOM 47 CG2 VAL A 110 80.524 -3.415 5.555 1.00 8.46 C ATOM 0 H VAL A 110 78.480 -3.243 4.340 1.00 7.68 H new ATOM 0 HA VAL A 110 77.527 -2.441 6.944 1.00 7.34 H new ATOM 0 HB VAL A 110 80.002 -2.802 7.526 1.00 7.82 H new ATOM 0 HG11 VAL A 110 79.803 -5.256 7.417 1.00 8.21 H new ATOM 0 HG12 VAL A 110 78.284 -4.493 7.944 1.00 8.21 H new ATOM 0 HG13 VAL A 110 78.448 -5.091 6.275 1.00 8.21 H new ATOM 0 HG21 VAL A 110 81.333 -4.065 5.887 1.00 8.46 H new ATOM 0 HG22 VAL A 110 80.043 -3.852 4.680 1.00 8.46 H new ATOM 0 HG23 VAL A 110 80.928 -2.436 5.295 1.00 8.46 H new ATOM 57 N LEU A 111 78.345 -0.103 7.153 1.00 6.49 N ATOM 58 CA LEU A 111 78.734 1.300 7.241 1.00 6.05 C ATOM 59 C LEU A 111 79.992 1.464 8.087 1.00 5.68 C ATOM 60 O LEU A 111 80.275 0.648 8.964 1.00 6.10 O ATOM 61 CB LEU A 111 77.591 2.132 7.831 1.00 6.60 C ATOM 62 CG LEU A 111 77.111 3.287 6.951 1.00 6.95 C ATOM 63 CD1 LEU A 111 78.220 4.311 6.766 1.00 7.53 C ATOM 64 CD2 LEU A 111 76.634 2.765 5.605 1.00 7.37 C ATOM 0 H LEU A 111 77.679 -0.402 7.865 1.00 6.49 H new ATOM 0 HA LEU A 111 78.949 1.656 6.234 1.00 6.05 H new ATOM 0 HB2 LEU A 111 76.747 1.472 8.031 1.00 6.60 H new ATOM 0 HB3 LEU A 111 77.914 2.536 8.791 1.00 6.60 H new ATOM 0 HG LEU A 111 76.272 3.776 7.447 1.00 6.95 H new ATOM 0 HD11 LEU A 111 77.861 5.126 6.137 1.00 7.53 H new ATOM 0 HD12 LEU A 111 78.517 4.706 7.738 1.00 7.53 H new ATOM 0 HD13 LEU A 111 79.078 3.836 6.290 1.00 7.53 H new ATOM 0 HD21 LEU A 111 76.296 3.599 4.990 1.00 7.37 H new ATOM 0 HD22 LEU A 111 77.454 2.253 5.102 1.00 7.37 H new ATOM 0 HD23 LEU A 111 75.810 2.068 5.756 1.00 7.37 H new ATOM 76 N ALA A 112 80.748 2.524 7.817 1.00 5.15 N ATOM 77 CA ALA A 112 81.977 2.794 8.552 1.00 4.90 C ATOM 78 C ALA A 112 81.779 3.924 9.558 1.00 5.28 C ATOM 79 O ALA A 112 81.846 5.101 9.205 1.00 5.66 O ATOM 80 CB ALA A 112 83.103 3.134 7.590 1.00 4.47 C ATOM 0 H ALA A 112 80.530 3.210 7.094 1.00 5.15 H new ATOM 0 HA ALA A 112 82.245 1.894 9.105 1.00 4.90 H new ATOM 0 HB1 ALA A 112 84.015 3.333 8.153 1.00 4.47 H new ATOM 0 HB2 ALA A 112 83.270 2.295 6.914 1.00 4.47 H new ATOM 0 HB3 ALA A 112 82.833 4.018 7.012 1.00 4.47 H new ATOM 86 N GLU A 113 81.536 3.557 10.812 1.00 5.43 N ATOM 87 CA GLU A 113 81.331 4.540 11.869 1.00 5.94 C ATOM 88 C GLU A 113 82.664 4.988 12.460 1.00 6.10 C ATOM 89 O GLU A 113 82.968 6.179 12.500 1.00 6.17 O ATOM 90 CB GLU A 113 80.437 3.958 12.967 1.00 6.32 C ATOM 91 CG GLU A 113 79.040 4.557 12.995 1.00 6.89 C ATOM 92 CD GLU A 113 78.003 3.647 12.370 1.00 7.44 C ATOM 93 OE1 GLU A 113 78.352 2.910 11.424 1.00 7.69 O ATOM 94 OE2 GLU A 113 76.839 3.671 12.825 1.00 7.92 O ATOM 0 H GLU A 113 81.476 2.587 11.121 1.00 5.43 H new ATOM 0 HA GLU A 113 80.839 5.410 11.435 1.00 5.94 H new ATOM 0 HB2 GLU A 113 80.358 2.880 12.827 1.00 6.32 H new ATOM 0 HB3 GLU A 113 80.912 4.120 13.935 1.00 6.32 H new ATOM 0 HG2 GLU A 113 78.759 4.766 14.027 1.00 6.89 H new ATOM 0 HG3 GLU A 113 79.047 5.510 12.467 1.00 6.89 H new ATOM 101 N ARG A 114 83.457 4.024 12.918 1.00 6.45 N ATOM 102 CA ARG A 114 84.757 4.317 13.507 1.00 6.82 C ATOM 103 C ARG A 114 85.665 5.013 12.496 1.00 6.52 C ATOM 104 O ARG A 114 85.386 5.017 11.297 1.00 6.48 O ATOM 105 CB ARG A 114 85.420 3.032 14.003 1.00 7.39 C ATOM 106 CG ARG A 114 85.550 1.961 12.928 1.00 8.23 C ATOM 107 CD ARG A 114 84.896 0.656 13.354 1.00 8.84 C ATOM 108 NE ARG A 114 85.706 -0.505 12.992 1.00 9.52 N ATOM 109 CZ ARG A 114 85.395 -1.757 13.319 1.00 10.11 C ATOM 110 NH1 ARG A 114 84.295 -2.016 14.013 1.00 10.12 N ATOM 111 NH2 ARG A 114 86.188 -2.755 12.950 1.00 10.88 N ATOM 0 H ARG A 114 83.221 3.032 12.892 1.00 6.45 H new ATOM 0 HA ARG A 114 84.602 4.986 14.354 1.00 6.82 H new ATOM 0 HB2 ARG A 114 86.411 3.270 14.389 1.00 7.39 H new ATOM 0 HB3 ARG A 114 84.841 2.632 14.835 1.00 7.39 H new ATOM 0 HG2 ARG A 114 85.091 2.314 12.005 1.00 8.23 H new ATOM 0 HG3 ARG A 114 86.604 1.787 12.713 1.00 8.23 H new ATOM 0 HD2 ARG A 114 84.737 0.665 14.432 1.00 8.84 H new ATOM 0 HD3 ARG A 114 83.914 0.573 12.888 1.00 8.84 H new ATOM 0 HE ARG A 114 86.560 -0.347 12.457 1.00 9.52 H new ATOM 0 HH11 ARG A 114 83.681 -1.253 14.299 1.00 10.12 H new ATOM 0 HH12 ARG A 114 84.063 -2.978 14.260 1.00 10.12 H new ATOM 0 HH21 ARG A 114 87.035 -2.562 12.416 1.00 10.88 H new ATOM 0 HH22 ARG A 114 85.950 -3.715 13.200 1.00 10.88 H new ATOM 125 N GLY A 115 86.750 5.601 12.988 1.00 6.59 N ATOM 126 CA GLY A 115 87.680 6.290 12.113 1.00 6.53 C ATOM 127 C GLY A 115 89.072 6.390 12.704 1.00 6.78 C ATOM 128 O GLY A 115 89.634 7.482 12.806 1.00 6.99 O ATOM 0 H GLY A 115 87.002 5.613 13.976 1.00 6.59 H new ATOM 0 HA2 GLY A 115 87.731 5.766 11.159 1.00 6.53 H new ATOM 0 HA3 GLY A 115 87.304 7.292 11.906 1.00 6.53 H new ATOM 132 N GLU A 116 89.631 5.250 13.095 1.00 6.92 N ATOM 133 CA GLU A 116 90.966 5.214 13.680 1.00 7.28 C ATOM 134 C GLU A 116 92.022 5.577 12.640 1.00 7.01 C ATOM 135 O GLU A 116 92.745 4.712 12.144 1.00 7.37 O ATOM 136 CB GLU A 116 91.256 3.827 14.256 1.00 7.73 C ATOM 137 CG GLU A 116 91.205 2.713 13.222 1.00 8.27 C ATOM 138 CD GLU A 116 90.055 1.752 13.454 1.00 8.72 C ATOM 139 OE1 GLU A 116 89.667 1.564 14.625 1.00 8.96 O ATOM 140 OE2 GLU A 116 89.544 1.187 12.464 1.00 9.05 O ATOM 0 H GLU A 116 89.180 4.338 13.017 1.00 6.92 H new ATOM 0 HA GLU A 116 91.005 5.948 14.485 1.00 7.28 H new ATOM 0 HB2 GLU A 116 92.242 3.835 14.720 1.00 7.73 H new ATOM 0 HB3 GLU A 116 90.534 3.612 15.044 1.00 7.73 H new ATOM 0 HG2 GLU A 116 91.113 3.150 12.228 1.00 8.27 H new ATOM 0 HG3 GLU A 116 92.144 2.161 13.242 1.00 8.27 H new ATOM 147 N GLY A 117 92.105 6.862 12.314 1.00 6.59 N ATOM 148 CA GLY A 117 93.076 7.317 11.335 1.00 6.40 C ATOM 149 C GLY A 117 92.600 7.107 9.910 1.00 5.64 C ATOM 150 O GLY A 117 91.692 7.795 9.445 1.00 5.49 O ATOM 0 H GLY A 117 91.518 7.597 12.709 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.281 8.376 11.495 1.00 6.40 H new ATOM 0 HA3 GLY A 117 94.015 6.785 11.484 1.00 6.40 H new ATOM 154 N HIS A 118 93.215 6.156 9.218 1.00 5.19 N ATOM 155 CA HIS A 118 92.848 5.858 7.838 1.00 4.46 C ATOM 156 C HIS A 118 91.485 5.178 7.774 1.00 4.06 C ATOM 157 O HIS A 118 91.175 4.308 8.587 1.00 4.20 O ATOM 158 CB HIS A 118 93.904 4.962 7.188 1.00 4.14 C ATOM 159 CG HIS A 118 95.252 5.604 7.075 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.390 6.964 6.934 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.480 5.032 7.084 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.690 7.190 6.861 1.00 4.97 C ATOM 163 NE2 HIS A 118 97.391 6.048 6.947 1.00 4.60 N ATOM 0 H HIS A 118 93.969 5.578 9.589 1.00 5.19 H new ATOM 0 HA HIS A 118 92.794 6.800 7.292 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.996 4.044 7.769 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.563 4.677 6.193 1.00 4.14 H new ATOM 0 HD2 HIS A 118 96.699 3.979 7.180 1.00 4.24 H new ATOM 0 HE1 HIS A 118 97.132 8.169 6.747 1.00 4.97 H new ATOM 0 HE2 HIS A 118 98.406 5.954 6.916 1.00 4.60 H new ATOM 171 N ARG A 119 90.673 5.578 6.798 1.00 3.68 N ATOM 172 CA ARG A 119 89.344 5.003 6.629 1.00 3.29 C ATOM 173 C ARG A 119 89.409 3.743 5.771 1.00 2.55 C ATOM 174 O ARG A 119 88.835 2.711 6.120 1.00 2.42 O ATOM 175 CB ARG A 119 88.398 6.023 5.994 1.00 3.40 C ATOM 176 CG ARG A 119 88.838 6.494 4.618 1.00 3.29 C ATOM 177 CD ARG A 119 87.916 7.575 4.078 1.00 3.67 C ATOM 178 NE ARG A 119 86.758 7.012 3.387 1.00 3.86 N ATOM 179 CZ ARG A 119 85.737 7.738 2.938 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.723 9.055 3.109 1.00 4.64 N ATOM 181 NH2 ARG A 119 84.725 7.147 2.318 1.00 4.88 N ATOM 0 H ARG A 119 90.913 6.296 6.115 1.00 3.68 H new ATOM 0 HA ARG A 119 88.961 4.734 7.613 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.404 5.583 5.916 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.314 6.887 6.654 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.857 6.877 4.672 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.851 5.649 3.930 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.577 8.206 4.900 1.00 3.67 H new ATOM 0 HD3 ARG A 119 88.471 8.216 3.393 1.00 3.67 H new ATOM 0 HE ARG A 119 86.731 6.003 3.240 1.00 3.86 H new ATOM 0 HH11 ARG A 119 86.498 9.516 3.587 1.00 4.64 H new ATOM 0 HH12 ARG A 119 84.938 9.606 2.763 1.00 4.64 H new ATOM 0 HH21 ARG A 119 84.729 6.136 2.185 1.00 4.88 H new ATOM 0 HH22 ARG A 119 83.943 7.704 1.974 1.00 4.88 H new ATOM 195 N PHE A 120 90.114 3.835 4.648 1.00 2.20 N ATOM 196 CA PHE A 120 90.261 2.703 3.738 1.00 1.52 C ATOM 197 C PHE A 120 88.903 2.164 3.303 1.00 1.27 C ATOM 198 O PHE A 120 88.232 1.459 4.057 1.00 1.46 O ATOM 199 CB PHE A 120 91.065 1.588 4.406 1.00 1.60 C ATOM 200 CG PHE A 120 92.538 1.873 4.490 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.322 1.884 3.348 1.00 1.32 C ATOM 202 CD2 PHE A 120 93.137 2.126 5.713 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.676 2.145 3.423 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.492 2.386 5.796 1.00 2.70 C ATOM 205 CZ PHE A 120 95.263 2.397 4.648 1.00 2.25 C ATOM 0 H PHE A 120 90.593 4.683 4.345 1.00 2.20 H new ATOM 0 HA PHE A 120 90.792 3.054 2.853 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.677 1.425 5.412 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.914 0.661 3.852 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.869 1.686 2.388 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.539 2.120 6.612 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.276 2.152 2.525 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.948 2.580 6.756 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.322 2.602 4.709 1.00 2.25 H new ATOM 215 N VAL A 121 88.507 2.493 2.077 1.00 1.28 N ATOM 216 CA VAL A 121 87.232 2.033 1.541 1.00 1.47 C ATOM 217 C VAL A 121 87.388 0.685 0.846 1.00 1.73 C ATOM 218 O VAL A 121 87.930 0.604 -0.258 1.00 2.05 O ATOM 219 CB VAL A 121 86.633 3.041 0.542 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.141 2.801 0.371 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.903 4.472 0.987 1.00 2.59 C ATOM 0 H VAL A 121 89.049 3.075 1.438 1.00 1.28 H new ATOM 0 HA VAL A 121 86.555 1.934 2.389 1.00 1.47 H new ATOM 0 HB VAL A 121 87.117 2.892 -0.423 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.735 3.522 -0.338 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.976 1.791 -0.004 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.641 2.917 1.333 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.470 5.165 0.266 1.00 2.59 H new ATOM 0 HG22 VAL A 121 86.454 4.640 1.966 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.979 4.637 1.049 1.00 2.59 H new ATOM 231 N GLU A 122 86.913 -0.366 1.497 1.00 1.96 N ATOM 232 CA GLU A 122 86.997 -1.714 0.948 1.00 2.61 C ATOM 233 C GLU A 122 86.257 -1.807 -0.382 1.00 3.15 C ATOM 234 O GLU A 122 85.048 -1.583 -0.447 1.00 3.31 O ATOM 235 CB GLU A 122 86.422 -2.728 1.938 1.00 3.09 C ATOM 236 CG GLU A 122 86.853 -4.159 1.664 1.00 3.41 C ATOM 237 CD GLU A 122 86.229 -5.150 2.628 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.078 -5.570 2.387 1.00 4.17 O ATOM 239 OE2 GLU A 122 86.893 -5.506 3.625 1.00 4.00 O ATOM 0 H GLU A 122 86.463 -0.312 2.411 1.00 1.96 H new ATOM 0 HA GLU A 122 88.048 -1.943 0.774 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.729 -2.452 2.947 1.00 3.09 H new ATOM 0 HB3 GLU A 122 85.334 -2.674 1.910 1.00 3.09 H new ATOM 0 HG2 GLU A 122 86.579 -4.428 0.644 1.00 3.41 H new ATOM 0 HG3 GLU A 122 87.939 -4.227 1.731 1.00 3.41 H new ATOM 246 N LEU A 123 86.989 -2.142 -1.440 1.00 3.56 N ATOM 247 CA LEU A 123 86.398 -2.267 -2.768 1.00 4.25 C ATOM 248 C LEU A 123 85.931 -3.698 -3.021 1.00 4.92 C ATOM 249 O LEU A 123 86.744 -4.602 -3.208 1.00 5.12 O ATOM 250 CB LEU A 123 87.407 -1.850 -3.839 1.00 4.48 C ATOM 251 CG LEU A 123 87.369 -0.369 -4.223 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.046 -0.023 -4.886 1.00 5.51 C ATOM 253 CD2 LEU A 123 87.599 0.503 -2.998 1.00 5.24 C ATOM 0 H LEU A 123 87.991 -2.331 -1.404 1.00 3.56 H new ATOM 0 HA LEU A 123 85.532 -1.606 -2.818 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.409 -2.093 -3.486 1.00 4.48 H new ATOM 0 HB3 LEU A 123 87.231 -2.446 -4.734 1.00 4.48 H new ATOM 0 HG LEU A 123 88.169 -0.177 -4.937 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.038 1.034 -5.152 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.922 -0.625 -5.786 1.00 5.51 H new ATOM 0 HD13 LEU A 123 85.228 -0.230 -4.196 1.00 5.51 H new ATOM 0 HD21 LEU A 123 87.569 1.553 -3.288 1.00 5.24 H new ATOM 0 HD22 LEU A 123 86.820 0.308 -2.261 1.00 5.24 H new ATOM 0 HD23 LEU A 123 88.573 0.274 -2.566 1.00 5.24 H new ATOM 265 N ALA A 124 84.616 -3.894 -3.027 1.00 5.38 N ATOM 266 CA ALA A 124 84.043 -5.213 -3.260 1.00 6.08 C ATOM 267 C ALA A 124 84.280 -5.664 -4.697 1.00 6.69 C ATOM 268 O ALA A 124 83.351 -5.718 -5.504 1.00 7.13 O ATOM 269 CB ALA A 124 82.554 -5.205 -2.943 1.00 6.38 C ATOM 0 H ALA A 124 83.929 -3.156 -2.873 1.00 5.38 H new ATOM 0 HA ALA A 124 84.538 -5.922 -2.597 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.139 -6.197 -3.122 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.406 -4.932 -1.898 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.050 -4.480 -3.582 1.00 6.38 H new ATOM 275 N LEU A 125 85.530 -5.987 -5.012 1.00 6.81 N ATOM 276 CA LEU A 125 85.892 -6.427 -6.354 1.00 7.42 C ATOM 277 C LEU A 125 85.781 -7.945 -6.479 1.00 8.16 C ATOM 278 O LEU A 125 86.751 -8.668 -6.256 1.00 8.46 O ATOM 279 CB LEU A 125 87.314 -5.980 -6.694 1.00 7.36 C ATOM 280 CG LEU A 125 87.464 -4.493 -7.017 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.827 -3.985 -6.572 1.00 6.96 C ATOM 282 CD2 LEU A 125 87.262 -4.249 -8.504 1.00 7.07 C ATOM 0 H LEU A 125 86.310 -5.952 -4.355 1.00 6.81 H new ATOM 0 HA LEU A 125 85.196 -5.970 -7.058 1.00 7.42 H new ATOM 0 HB2 LEU A 125 87.965 -6.221 -5.854 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.667 -6.559 -7.547 1.00 7.36 H new ATOM 0 HG LEU A 125 86.698 -3.942 -6.471 1.00 6.97 H new ATOM 0 HD11 LEU A 125 88.916 -2.925 -6.810 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.934 -4.126 -5.496 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.609 -4.540 -7.090 1.00 6.96 H new ATOM 0 HD21 LEU A 125 87.372 -3.186 -8.716 1.00 7.07 H new ATOM 0 HD22 LEU A 125 88.006 -4.811 -9.069 1.00 7.07 H new ATOM 0 HD23 LEU A 125 86.263 -4.575 -8.794 1.00 7.07 H new ATOM 294 N ARG A 126 84.593 -8.417 -6.842 1.00 8.60 N ATOM 295 CA ARG A 126 84.357 -9.847 -7.004 1.00 9.37 C ATOM 296 C ARG A 126 84.446 -10.244 -8.475 1.00 9.91 C ATOM 297 O ARG A 126 83.779 -11.177 -8.919 1.00 10.39 O ATOM 298 CB ARG A 126 82.986 -10.226 -6.439 1.00 9.55 C ATOM 299 CG ARG A 126 83.046 -10.803 -5.035 1.00 9.90 C ATOM 300 CD ARG A 126 81.961 -11.846 -4.814 1.00 10.24 C ATOM 301 NE ARG A 126 82.458 -13.205 -5.008 1.00 10.60 N ATOM 302 CZ ARG A 126 81.841 -14.293 -4.551 1.00 11.07 C ATOM 303 NH1 ARG A 126 80.703 -14.184 -3.877 1.00 11.25 N ATOM 304 NH2 ARG A 126 82.362 -15.493 -4.772 1.00 11.57 N ATOM 0 H ARG A 126 83.779 -7.831 -7.029 1.00 8.60 H new ATOM 0 HA ARG A 126 85.127 -10.386 -6.453 1.00 9.37 H new ATOM 0 HB2 ARG A 126 82.348 -9.342 -6.433 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.517 -10.953 -7.102 1.00 9.55 H new ATOM 0 HG2 ARG A 126 84.024 -11.253 -4.867 1.00 9.90 H new ATOM 0 HG3 ARG A 126 82.935 -10.001 -4.306 1.00 9.90 H new ATOM 0 HD2 ARG A 126 81.564 -11.747 -3.804 1.00 10.24 H new ATOM 0 HD3 ARG A 126 81.135 -11.661 -5.501 1.00 10.24 H new ATOM 0 HE ARG A 126 83.329 -13.328 -5.524 1.00 10.60 H new ATOM 0 HH11 ARG A 126 80.297 -13.264 -3.707 1.00 11.25 H new ATOM 0 HH12 ARG A 126 80.234 -15.020 -3.529 1.00 11.25 H new ATOM 0 HH21 ARG A 126 83.235 -15.582 -5.292 1.00 11.57 H new ATOM 0 HH22 ARG A 126 81.890 -16.326 -4.422 1.00 11.57 H new ATOM 318 N GLY A 127 85.279 -9.527 -9.224 1.00 9.94 N ATOM 319 CA GLY A 127 85.444 -9.814 -10.636 1.00 10.50 C ATOM 320 C GLY A 127 86.274 -8.761 -11.344 1.00 10.13 C ATOM 321 O GLY A 127 87.007 -9.067 -12.285 1.00 10.47 O ATOM 0 H GLY A 127 85.843 -8.751 -8.876 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.920 -10.788 -10.753 1.00 10.50 H new ATOM 0 HA3 GLY A 127 84.464 -9.879 -11.108 1.00 10.50 H new ATOM 325 N GLY A 128 86.159 -7.517 -10.888 1.00 9.48 N ATOM 326 CA GLY A 128 86.910 -6.432 -11.494 1.00 9.18 C ATOM 327 C GLY A 128 88.340 -6.365 -10.986 1.00 8.58 C ATOM 328 O GLY A 128 88.598 -6.664 -9.821 1.00 8.03 O ATOM 0 H GLY A 128 85.560 -7.241 -10.110 1.00 9.48 H new ATOM 0 HA2 GLY A 128 86.917 -6.559 -12.577 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.409 -5.486 -11.287 1.00 9.18 H new ATOM 332 N PRO A 129 89.297 -5.975 -11.845 1.00 8.71 N ATOM 333 CA PRO A 129 90.708 -5.877 -11.462 1.00 8.20 C ATOM 334 C PRO A 129 90.998 -4.662 -10.588 1.00 7.43 C ATOM 335 O PRO A 129 90.259 -3.678 -10.606 1.00 7.36 O ATOM 336 CB PRO A 129 91.429 -5.743 -12.805 1.00 8.64 C ATOM 337 CG PRO A 129 90.429 -5.106 -13.706 1.00 9.37 C ATOM 338 CD PRO A 129 89.081 -5.603 -13.257 1.00 9.42 C ATOM 0 HA PRO A 129 91.024 -6.735 -10.868 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.327 -5.132 -12.714 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.743 -6.715 -13.185 1.00 8.64 H new ATOM 0 HG2 PRO A 129 90.484 -4.019 -13.642 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.616 -5.374 -14.746 1.00 9.37 H new ATOM 0 HD2 PRO A 129 88.317 -4.832 -13.355 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.751 -6.456 -13.850 1.00 9.42 H new ATOM 346 N GLY A 130 92.090 -4.737 -9.836 1.00 6.90 N ATOM 347 CA GLY A 130 92.485 -3.645 -8.976 1.00 6.16 C ATOM 348 C GLY A 130 93.989 -3.515 -8.940 1.00 5.90 C ATOM 349 O GLY A 130 94.698 -4.518 -8.944 1.00 6.04 O ATOM 0 H GLY A 130 92.712 -5.545 -9.809 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.043 -2.715 -9.333 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.105 -3.812 -7.968 1.00 6.16 H new ATOM 353 N TRP A 131 94.485 -2.291 -8.935 1.00 5.60 N ATOM 354 CA TRP A 131 95.921 -2.067 -8.931 1.00 5.39 C ATOM 355 C TRP A 131 96.379 -1.400 -7.638 1.00 4.56 C ATOM 356 O TRP A 131 96.024 -0.257 -7.353 1.00 4.36 O ATOM 357 CB TRP A 131 96.312 -1.226 -10.142 1.00 5.91 C ATOM 358 CG TRP A 131 96.166 -1.964 -11.437 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.068 -2.651 -11.866 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.151 -2.095 -12.468 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.307 -3.201 -13.102 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.579 -2.873 -13.494 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.460 -1.630 -12.625 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.272 -3.196 -14.658 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.146 -1.950 -13.782 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.551 -2.726 -14.785 1.00 8.26 C ATOM 0 H TRP A 131 93.920 -1.442 -8.934 1.00 5.60 H new ATOM 0 HA TRP A 131 96.421 -3.034 -8.990 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.694 -0.329 -10.170 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.345 -0.898 -10.031 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.145 -2.748 -11.314 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.646 -3.762 -13.640 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.927 -1.032 -11.857 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.817 -3.796 -15.432 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.158 -1.596 -13.915 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.113 -2.958 -15.677 1.00 8.26 H new ATOM 377 N CYS A 132 97.168 -2.134 -6.859 1.00 4.17 N ATOM 378 CA CYS A 132 97.683 -1.631 -5.591 1.00 3.38 C ATOM 379 C CYS A 132 98.497 -0.359 -5.798 1.00 3.29 C ATOM 380 O CYS A 132 99.698 -0.413 -6.066 1.00 3.32 O ATOM 381 CB CYS A 132 98.539 -2.701 -4.915 1.00 3.20 C ATOM 382 SG CYS A 132 99.244 -2.190 -3.319 1.00 2.31 S ATOM 0 H CYS A 132 97.465 -3.083 -7.086 1.00 4.17 H new ATOM 0 HA CYS A 132 96.837 -1.390 -4.948 1.00 3.38 H new ATOM 0 HB2 CYS A 132 97.932 -3.594 -4.763 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.351 -2.979 -5.587 1.00 3.20 H new ATOM 387 N ASP A 133 97.827 0.783 -5.675 1.00 3.33 N ATOM 388 CA ASP A 133 98.468 2.087 -5.852 1.00 3.56 C ATOM 389 C ASP A 133 99.818 2.147 -5.145 1.00 3.14 C ATOM 390 O ASP A 133 100.738 2.829 -5.597 1.00 3.53 O ATOM 391 CB ASP A 133 97.557 3.197 -5.328 1.00 3.65 C ATOM 392 CG ASP A 133 96.436 3.531 -6.295 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.712 3.634 -7.508 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.284 3.687 -5.839 1.00 3.89 O ATOM 0 H ASP A 133 96.833 0.834 -5.452 1.00 3.33 H new ATOM 0 HA ASP A 133 98.639 2.231 -6.919 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.130 2.892 -4.373 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.150 4.092 -5.141 1.00 3.65 H new ATOM 399 N LEU A 134 99.929 1.428 -4.036 1.00 2.45 N ATOM 400 CA LEU A 134 101.167 1.393 -3.267 1.00 2.10 C ATOM 401 C LEU A 134 102.280 0.726 -4.072 1.00 2.27 C ATOM 402 O LEU A 134 103.344 1.308 -4.285 1.00 2.50 O ATOM 403 CB LEU A 134 100.927 0.660 -1.937 1.00 1.47 C ATOM 404 CG LEU A 134 102.082 -0.204 -1.415 1.00 1.30 C ATOM 405 CD1 LEU A 134 103.004 0.616 -0.527 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.539 -1.404 -0.657 1.00 1.35 C ATOM 0 H LEU A 134 99.176 0.860 -3.648 1.00 2.45 H new ATOM 0 HA LEU A 134 101.484 2.413 -3.050 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.686 1.403 -1.177 1.00 1.47 H new ATOM 0 HB3 LEU A 134 100.049 0.024 -2.051 1.00 1.47 H new ATOM 0 HG LEU A 134 102.660 -0.563 -2.267 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.817 -0.014 -0.166 1.00 1.61 H new ATOM 0 HD12 LEU A 134 103.416 1.447 -1.099 1.00 1.61 H new ATOM 0 HD13 LEU A 134 102.441 1.004 0.322 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.369 -2.009 -0.292 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.941 -1.061 0.187 1.00 1.35 H new ATOM 0 HD23 LEU A 134 100.918 -2.004 -1.322 1.00 1.35 H new ATOM 418 N CYS A 135 102.025 -0.501 -4.513 1.00 2.35 N ATOM 419 CA CYS A 135 103.001 -1.259 -5.291 1.00 2.66 C ATOM 420 C CYS A 135 102.790 -1.043 -6.785 1.00 3.37 C ATOM 421 O CYS A 135 103.624 -0.440 -7.460 1.00 3.63 O ATOM 422 CB CYS A 135 102.905 -2.755 -4.966 1.00 2.75 C ATOM 423 SG CYS A 135 102.470 -3.130 -3.235 1.00 2.27 S ATOM 0 H CYS A 135 101.148 -0.994 -4.345 1.00 2.35 H new ATOM 0 HA CYS A 135 103.994 -0.900 -5.022 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.160 -3.208 -5.620 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.861 -3.226 -5.197 1.00 2.75 H new ATOM 428 N GLY A 136 101.669 -1.544 -7.297 1.00 3.77 N ATOM 429 CA GLY A 136 101.369 -1.399 -8.710 1.00 4.51 C ATOM 430 C GLY A 136 100.864 -2.687 -9.334 1.00 5.01 C ATOM 431 O GLY A 136 100.306 -2.674 -10.432 1.00 5.65 O ATOM 0 H GLY A 136 100.964 -2.047 -6.759 1.00 3.77 H new ATOM 0 HA2 GLY A 136 100.620 -0.618 -8.840 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.266 -1.072 -9.236 1.00 4.51 H new ATOM 435 N ARG A 137 101.058 -3.804 -8.637 1.00 4.84 N ATOM 436 CA ARG A 137 100.617 -5.102 -9.134 1.00 5.43 C ATOM 437 C ARG A 137 99.095 -5.186 -9.167 1.00 5.63 C ATOM 438 O ARG A 137 98.403 -4.217 -8.854 1.00 5.30 O ATOM 439 CB ARG A 137 101.184 -6.224 -8.261 1.00 5.35 C ATOM 440 CG ARG A 137 102.702 -6.313 -8.294 1.00 5.18 C ATOM 441 CD ARG A 137 103.274 -6.607 -6.917 1.00 5.55 C ATOM 442 NE ARG A 137 104.477 -5.823 -6.645 1.00 5.46 N ATOM 443 CZ ARG A 137 105.323 -6.082 -5.651 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.104 -7.104 -4.833 1.00 6.61 N ATOM 445 NH2 ARG A 137 106.393 -5.319 -5.474 1.00 6.15 N ATOM 0 H ARG A 137 101.518 -3.835 -7.727 1.00 4.84 H new ATOM 0 HA ARG A 137 100.989 -5.219 -10.152 1.00 5.43 H new ATOM 0 HB2 ARG A 137 100.860 -6.071 -7.232 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.765 -7.175 -8.589 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.006 -7.095 -8.990 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.114 -5.376 -8.668 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.522 -6.391 -6.158 1.00 5.55 H new ATOM 0 HD3 ARG A 137 103.508 -7.669 -6.841 1.00 5.55 H new ATOM 0 HE ARG A 137 104.680 -5.030 -7.253 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.284 -7.696 -4.965 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.756 -7.298 -4.073 1.00 6.61 H new ATOM 0 HH21 ARG A 137 106.568 -4.533 -6.100 1.00 6.15 H new ATOM 0 HH22 ARG A 137 107.041 -5.518 -4.712 1.00 6.15 H new ATOM 459 N GLU A 138 98.580 -6.351 -9.548 1.00 6.20 N ATOM 460 CA GLU A 138 97.139 -6.561 -9.622 1.00 6.47 C ATOM 461 C GLU A 138 96.606 -7.146 -8.317 1.00 6.14 C ATOM 462 O GLU A 138 96.960 -8.262 -7.935 1.00 6.19 O ATOM 463 CB GLU A 138 96.797 -7.486 -10.793 1.00 7.34 C ATOM 464 CG GLU A 138 95.934 -6.826 -11.857 1.00 8.03 C ATOM 465 CD GLU A 138 95.942 -7.585 -13.168 1.00 8.64 C ATOM 466 OE1 GLU A 138 96.893 -7.401 -13.957 1.00 8.93 O ATOM 467 OE2 GLU A 138 94.997 -8.367 -13.407 1.00 9.02 O ATOM 0 H GLU A 138 99.139 -7.163 -9.810 1.00 6.20 H new ATOM 0 HA GLU A 138 96.663 -5.594 -9.784 1.00 6.47 H new ATOM 0 HB2 GLU A 138 97.722 -7.835 -11.252 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.279 -8.366 -10.411 1.00 7.34 H new ATOM 0 HG2 GLU A 138 94.910 -6.749 -11.492 1.00 8.03 H new ATOM 0 HG3 GLU A 138 96.289 -5.810 -12.028 1.00 8.03 H new ATOM 474 N VAL A 139 95.753 -6.385 -7.642 1.00 5.87 N ATOM 475 CA VAL A 139 95.167 -6.820 -6.382 1.00 5.60 C ATOM 476 C VAL A 139 94.059 -7.844 -6.618 1.00 6.26 C ATOM 477 O VAL A 139 93.081 -7.566 -7.313 1.00 6.56 O ATOM 478 CB VAL A 139 94.602 -5.625 -5.586 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.674 -4.560 -5.387 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.382 -5.038 -6.281 1.00 5.14 C ATOM 0 H VAL A 139 95.451 -5.460 -7.948 1.00 5.87 H new ATOM 0 HA VAL A 139 95.963 -7.285 -5.800 1.00 5.60 H new ATOM 0 HB VAL A 139 94.290 -5.986 -4.606 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.257 -3.725 -4.824 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.513 -4.986 -4.837 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.020 -4.206 -6.358 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.002 -4.197 -5.701 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.661 -4.695 -7.277 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.608 -5.801 -6.364 1.00 5.14 H new ATOM 490 N LEU A 140 94.220 -9.028 -6.035 1.00 6.55 N ATOM 491 CA LEU A 140 93.235 -10.093 -6.185 1.00 7.22 C ATOM 492 C LEU A 140 92.112 -9.952 -5.162 1.00 6.99 C ATOM 493 O LEU A 140 90.950 -10.235 -5.459 1.00 7.24 O ATOM 494 CB LEU A 140 93.905 -11.462 -6.040 1.00 7.76 C ATOM 495 CG LEU A 140 94.867 -11.589 -4.855 1.00 8.26 C ATOM 496 CD1 LEU A 140 94.604 -12.876 -4.088 1.00 8.62 C ATOM 497 CD2 LEU A 140 96.311 -11.538 -5.332 1.00 8.78 C ATOM 0 H LEU A 140 95.022 -9.274 -5.455 1.00 6.55 H new ATOM 0 HA LEU A 140 92.802 -10.011 -7.182 1.00 7.22 H new ATOM 0 HB2 LEU A 140 93.129 -12.221 -5.942 1.00 7.76 H new ATOM 0 HB3 LEU A 140 94.451 -11.682 -6.957 1.00 7.76 H new ATOM 0 HG LEU A 140 94.696 -10.748 -4.183 1.00 8.26 H new ATOM 0 HD11 LEU A 140 95.297 -12.948 -3.250 1.00 8.62 H new ATOM 0 HD12 LEU A 140 93.581 -12.873 -3.713 1.00 8.62 H new ATOM 0 HD13 LEU A 140 94.746 -13.730 -4.751 1.00 8.62 H new ATOM 0 HD21 LEU A 140 96.980 -11.630 -4.477 1.00 8.78 H new ATOM 0 HD22 LEU A 140 96.494 -12.359 -6.026 1.00 8.78 H new ATOM 0 HD23 LEU A 140 96.494 -10.589 -5.836 1.00 8.78 H new ATOM 509 N ARG A 141 92.464 -9.517 -3.957 1.00 6.56 N ATOM 510 CA ARG A 141 91.482 -9.344 -2.891 1.00 6.36 C ATOM 511 C ARG A 141 90.946 -7.917 -2.867 1.00 5.74 C ATOM 512 O ARG A 141 91.389 -7.061 -3.634 1.00 5.48 O ATOM 513 CB ARG A 141 92.104 -9.697 -1.538 1.00 6.20 C ATOM 514 CG ARG A 141 91.314 -10.738 -0.759 1.00 6.87 C ATOM 515 CD ARG A 141 92.198 -11.891 -0.308 1.00 7.11 C ATOM 516 NE ARG A 141 91.663 -12.561 0.874 1.00 7.57 N ATOM 517 CZ ARG A 141 91.730 -12.061 2.105 1.00 8.00 C ATOM 518 NH1 ARG A 141 92.307 -10.885 2.320 1.00 8.08 N ATOM 519 NH2 ARG A 141 91.216 -12.736 3.124 1.00 8.60 N ATOM 0 H ARG A 141 93.420 -9.278 -3.694 1.00 6.56 H new ATOM 0 HA ARG A 141 90.647 -10.017 -3.086 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.117 -10.066 -1.698 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.186 -8.791 -0.938 1.00 6.20 H new ATOM 0 HG2 ARG A 141 90.854 -10.270 0.111 1.00 6.87 H new ATOM 0 HG3 ARG A 141 90.505 -11.121 -1.380 1.00 6.87 H new ATOM 0 HD2 ARG A 141 92.296 -12.612 -1.120 1.00 7.11 H new ATOM 0 HD3 ARG A 141 93.199 -11.517 -0.091 1.00 7.11 H new ATOM 0 HE ARG A 141 91.211 -13.467 0.748 1.00 7.57 H new ATOM 0 HH11 ARG A 141 92.702 -10.360 1.539 1.00 8.08 H new ATOM 0 HH12 ARG A 141 92.356 -10.506 3.266 1.00 8.08 H new ATOM 0 HH21 ARG A 141 90.769 -13.639 2.964 1.00 8.60 H new ATOM 0 HH22 ARG A 141 91.268 -12.352 4.068 1.00 8.60 H new ATOM 533 N GLN A 142 89.989 -7.667 -1.977 1.00 5.55 N ATOM 534 CA GLN A 142 89.391 -6.343 -1.848 1.00 4.97 C ATOM 535 C GLN A 142 90.417 -5.333 -1.348 1.00 4.20 C ATOM 536 O GLN A 142 90.703 -5.264 -0.153 1.00 3.88 O ATOM 537 CB GLN A 142 88.195 -6.391 -0.894 1.00 4.98 C ATOM 538 CG GLN A 142 88.510 -7.043 0.444 1.00 5.49 C ATOM 539 CD GLN A 142 87.543 -8.159 0.790 1.00 6.00 C ATOM 540 OE1 GLN A 142 86.432 -7.912 1.261 1.00 6.30 O ATOM 541 NE2 GLN A 142 87.965 -9.397 0.562 1.00 6.42 N ATOM 0 H GLN A 142 89.612 -8.364 -1.335 1.00 5.55 H new ATOM 0 HA GLN A 142 89.047 -6.027 -2.833 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.839 -5.376 -0.719 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.381 -6.936 -1.372 1.00 4.98 H new ATOM 0 HG2 GLN A 142 89.525 -7.440 0.421 1.00 5.49 H new ATOM 0 HG3 GLN A 142 88.482 -6.287 1.228 1.00 5.49 H new ATOM 0 HE21 GLN A 142 88.893 -9.555 0.170 1.00 6.42 H new ATOM 0 HE22 GLN A 142 87.361 -10.190 0.778 1.00 6.42 H new ATOM 550 N ALA A 143 90.966 -4.551 -2.270 1.00 4.01 N ATOM 551 CA ALA A 143 91.961 -3.546 -1.924 1.00 3.31 C ATOM 552 C ALA A 143 91.352 -2.433 -1.079 1.00 2.66 C ATOM 553 O ALA A 143 90.229 -1.993 -1.329 1.00 2.78 O ATOM 554 CB ALA A 143 92.587 -2.971 -3.184 1.00 3.47 C ATOM 0 H ALA A 143 90.738 -4.594 -3.263 1.00 4.01 H new ATOM 0 HA ALA A 143 92.737 -4.030 -1.331 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.329 -2.221 -2.912 1.00 3.47 H new ATOM 0 HB2 ALA A 143 93.068 -3.770 -3.748 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.813 -2.510 -3.797 1.00 3.47 H new ATOM 560 N LEU A 144 92.102 -1.980 -0.080 1.00 2.03 N ATOM 561 CA LEU A 144 91.640 -0.914 0.803 1.00 1.43 C ATOM 562 C LEU A 144 92.092 0.446 0.282 1.00 1.04 C ATOM 563 O LEU A 144 93.286 0.737 0.233 1.00 0.81 O ATOM 564 CB LEU A 144 92.169 -1.138 2.220 1.00 1.45 C ATOM 565 CG LEU A 144 91.350 -2.111 3.073 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.072 -2.413 4.376 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.964 -1.546 3.347 1.00 2.25 C ATOM 0 H LEU A 144 93.033 -2.334 0.139 1.00 2.03 H new ATOM 0 HA LEU A 144 90.550 -0.931 0.826 1.00 1.43 H new ATOM 0 HB2 LEU A 144 93.192 -1.509 2.155 1.00 1.45 H new ATOM 0 HB3 LEU A 144 92.210 -0.177 2.732 1.00 1.45 H new ATOM 0 HG LEU A 144 91.236 -3.043 2.519 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.476 -3.106 4.970 1.00 2.76 H new ATOM 0 HD12 LEU A 144 93.041 -2.862 4.159 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.217 -1.488 4.934 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.397 -2.252 3.954 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.056 -0.600 3.880 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.445 -1.381 2.403 1.00 2.25 H new ATOM 579 N ARG A 145 91.130 1.270 -0.123 1.00 1.33 N ATOM 580 CA ARG A 145 91.435 2.594 -0.660 1.00 1.75 C ATOM 581 C ARG A 145 91.126 3.695 0.342 1.00 1.84 C ATOM 582 O ARG A 145 89.976 4.109 0.489 1.00 2.07 O ATOM 583 CB ARG A 145 90.646 2.836 -1.946 1.00 2.50 C ATOM 584 CG ARG A 145 91.149 4.022 -2.752 1.00 3.14 C ATOM 585 CD ARG A 145 90.056 4.604 -3.633 1.00 3.82 C ATOM 586 NE ARG A 145 90.567 5.022 -4.936 1.00 4.39 N ATOM 587 CZ ARG A 145 89.932 5.864 -5.746 1.00 4.96 C ATOM 588 NH1 ARG A 145 88.761 6.380 -5.393 1.00 5.14 N ATOM 589 NH2 ARG A 145 90.468 6.191 -6.914 1.00 5.67 N ATOM 0 H ARG A 145 90.135 1.046 -0.090 1.00 1.33 H new ATOM 0 HA ARG A 145 92.504 2.621 -0.873 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.692 1.940 -2.565 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.597 2.996 -1.695 1.00 2.50 H new ATOM 0 HG2 ARG A 145 91.520 4.792 -2.075 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.990 3.711 -3.372 1.00 3.14 H new ATOM 0 HD2 ARG A 145 89.270 3.862 -3.773 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.602 5.458 -3.131 1.00 3.82 H new ATOM 0 HE ARG A 145 91.464 4.646 -5.243 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.344 6.131 -4.496 1.00 5.14 H new ATOM 0 HH12 ARG A 145 88.279 7.025 -6.019 1.00 5.14 H new ATOM 0 HH21 ARG A 145 91.367 5.797 -7.191 1.00 5.67 H new ATOM 0 HH22 ARG A 145 89.981 6.837 -7.536 1.00 5.67 H new ATOM 603 N CYS A 146 92.161 4.178 1.019 1.00 1.92 N ATOM 604 CA CYS A 146 91.993 5.246 1.993 1.00 2.46 C ATOM 605 C CYS A 146 91.953 6.597 1.287 1.00 3.20 C ATOM 606 O CYS A 146 92.946 7.324 1.257 1.00 3.63 O ATOM 607 CB CYS A 146 93.125 5.216 3.023 1.00 2.60 C ATOM 608 SG CYS A 146 93.127 6.624 4.181 1.00 3.57 S ATOM 0 H CYS A 146 93.120 3.848 0.911 1.00 1.92 H new ATOM 0 HA CYS A 146 91.049 5.095 2.516 1.00 2.46 H new ATOM 0 HB2 CYS A 146 93.055 4.291 3.595 1.00 2.60 H new ATOM 0 HB3 CYS A 146 94.079 5.193 2.496 1.00 2.60 H new ATOM 613 N ALA A 147 90.798 6.921 0.714 1.00 3.42 N ATOM 614 CA ALA A 147 90.619 8.181 -0.001 1.00 4.19 C ATOM 615 C ALA A 147 90.903 9.390 0.890 1.00 4.75 C ATOM 616 O ALA A 147 90.967 10.521 0.405 1.00 5.41 O ATOM 617 CB ALA A 147 89.211 8.265 -0.567 1.00 4.35 C ATOM 0 H ALA A 147 89.969 6.327 0.731 1.00 3.42 H new ATOM 0 HA ALA A 147 91.340 8.201 -0.818 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.088 9.209 -1.098 1.00 4.35 H new ATOM 0 HB2 ALA A 147 89.046 7.437 -1.256 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.488 8.210 0.247 1.00 4.35 H new ATOM 623 N ASN A 148 91.075 9.156 2.187 1.00 4.58 N ATOM 624 CA ASN A 148 91.351 10.234 3.125 1.00 5.23 C ATOM 625 C ASN A 148 92.737 10.833 2.890 1.00 5.62 C ATOM 626 O ASN A 148 92.988 11.983 3.249 1.00 6.29 O ATOM 627 CB ASN A 148 91.233 9.730 4.566 1.00 5.11 C ATOM 628 CG ASN A 148 90.273 10.562 5.392 1.00 5.34 C ATOM 629 OD1 ASN A 148 90.264 11.790 5.307 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.457 9.894 6.201 1.00 5.41 N ATOM 0 H ASN A 148 91.028 8.229 2.611 1.00 4.58 H new ATOM 0 HA ASN A 148 90.611 11.017 2.960 1.00 5.23 H new ATOM 0 HB2 ASN A 148 90.897 8.693 4.559 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.217 9.743 5.035 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.789 10.400 6.783 1.00 5.41 H new ATOM 0 HD22 ASN A 148 89.499 8.876 6.240 1.00 5.41 H new ATOM 637 N CYS A 149 93.638 10.059 2.285 1.00 5.21 N ATOM 638 CA CYS A 149 94.986 10.547 2.017 1.00 5.54 C ATOM 639 C CYS A 149 95.796 9.537 1.212 1.00 5.02 C ATOM 640 O CYS A 149 96.490 9.901 0.263 1.00 5.26 O ATOM 641 CB CYS A 149 95.704 10.858 3.332 1.00 5.86 C ATOM 642 SG CYS A 149 95.643 9.506 4.552 1.00 5.35 S ATOM 0 H CYS A 149 93.460 9.104 1.975 1.00 5.21 H new ATOM 0 HA CYS A 149 94.898 11.458 1.426 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.747 11.092 3.117 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.261 11.751 3.773 1.00 5.86 H new ATOM 647 N LYS A 150 95.713 8.270 1.599 1.00 4.33 N ATOM 648 CA LYS A 150 96.448 7.214 0.913 1.00 3.79 C ATOM 649 C LYS A 150 95.745 6.808 -0.386 1.00 3.60 C ATOM 650 O LYS A 150 95.183 7.653 -1.083 1.00 4.14 O ATOM 651 CB LYS A 150 96.627 6.004 1.839 1.00 3.18 C ATOM 652 CG LYS A 150 96.786 6.370 3.307 1.00 3.63 C ATOM 653 CD LYS A 150 97.908 5.577 3.966 1.00 3.46 C ATOM 654 CE LYS A 150 99.039 6.485 4.422 1.00 3.65 C ATOM 655 NZ LYS A 150 99.645 7.233 3.285 1.00 3.87 N ATOM 0 H LYS A 150 95.145 7.949 2.383 1.00 4.33 H new ATOM 0 HA LYS A 150 97.434 7.598 0.650 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.766 5.345 1.730 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.503 5.440 1.518 1.00 3.18 H new ATOM 0 HG2 LYS A 150 96.993 7.436 3.396 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.850 6.182 3.833 1.00 3.63 H new ATOM 0 HD2 LYS A 150 97.513 5.028 4.821 1.00 3.46 H new ATOM 0 HD3 LYS A 150 98.294 4.838 3.264 1.00 3.46 H new ATOM 0 HE2 LYS A 150 98.661 7.192 5.161 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.807 5.889 4.914 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.354 7.902 3.648 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.103 6.564 2.634 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 98.902 7.756 2.778 1.00 3.87 H new ATOM 669 N PHE A 151 95.789 5.518 -0.716 1.00 2.95 N ATOM 670 CA PHE A 151 95.166 5.012 -1.936 1.00 2.98 C ATOM 671 C PHE A 151 94.703 3.566 -1.753 1.00 2.28 C ATOM 672 O PHE A 151 94.660 3.059 -0.632 1.00 1.66 O ATOM 673 CB PHE A 151 96.147 5.110 -3.108 1.00 3.44 C ATOM 674 CG PHE A 151 97.586 4.922 -2.714 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.952 3.920 -1.828 1.00 3.47 C ATOM 676 CD2 PHE A 151 98.573 5.747 -3.231 1.00 3.36 C ATOM 677 CE1 PHE A 151 99.273 3.747 -1.465 1.00 3.41 C ATOM 678 CE2 PHE A 151 99.897 5.578 -2.871 1.00 3.26 C ATOM 679 CZ PHE A 151 100.247 4.576 -1.986 1.00 3.10 C ATOM 0 H PHE A 151 96.251 4.804 -0.153 1.00 2.95 H new ATOM 0 HA PHE A 151 94.291 5.624 -2.153 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.883 4.360 -3.854 1.00 3.44 H new ATOM 0 HB3 PHE A 151 96.035 6.085 -3.583 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.196 3.268 -1.417 1.00 3.47 H new ATOM 0 HD2 PHE A 151 98.304 6.531 -3.923 1.00 3.36 H new ATOM 0 HE1 PHE A 151 99.545 2.963 -0.773 1.00 3.41 H new ATOM 0 HE2 PHE A 151 100.656 6.228 -3.281 1.00 3.26 H new ATOM 0 HZ PHE A 151 101.280 4.441 -1.702 1.00 3.10 H new ATOM 689 N THR A 152 94.355 2.904 -2.858 1.00 2.56 N ATOM 690 CA THR A 152 93.894 1.518 -2.804 1.00 2.30 C ATOM 691 C THR A 152 95.067 0.545 -2.745 1.00 2.04 C ATOM 692 O THR A 152 95.679 0.226 -3.764 1.00 2.50 O ATOM 693 CB THR A 152 93.019 1.205 -4.020 1.00 3.04 C ATOM 694 OG1 THR A 152 92.647 -0.162 -4.028 1.00 3.69 O ATOM 695 CG2 THR A 152 93.697 1.504 -5.339 1.00 3.48 C ATOM 0 H THR A 152 94.384 3.304 -3.796 1.00 2.56 H new ATOM 0 HA THR A 152 93.306 1.397 -1.894 1.00 2.30 H new ATOM 0 HB THR A 152 92.147 1.853 -3.925 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.087 -0.344 -4.811 1.00 3.69 H new ATOM 0 HG21 THR A 152 93.022 1.259 -6.159 1.00 3.48 H new ATOM 0 HG22 THR A 152 93.954 2.562 -5.384 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.604 0.906 -5.426 1.00 3.48 H new ATOM 703 N CYS A 153 95.373 0.080 -1.541 1.00 1.38 N ATOM 704 CA CYS A 153 96.471 -0.854 -1.332 1.00 1.29 C ATOM 705 C CYS A 153 95.953 -2.278 -1.158 1.00 1.85 C ATOM 706 O CYS A 153 94.769 -2.488 -0.891 1.00 2.08 O ATOM 707 CB CYS A 153 97.276 -0.447 -0.096 1.00 0.64 C ATOM 708 SG CYS A 153 96.333 -0.496 1.447 1.00 1.36 S ATOM 0 H CYS A 153 94.873 0.336 -0.690 1.00 1.38 H new ATOM 0 HA CYS A 153 97.113 -0.824 -2.213 1.00 1.29 H new ATOM 0 HB2 CYS A 153 98.138 -1.107 -0.004 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.661 0.562 -0.242 1.00 0.64 H new ATOM 0 HG CYS A 153 95.146 -0.006 1.246 1.00 1.36 H new ATOM 714 N HIS A 154 96.845 -3.253 -1.294 1.00 2.20 N ATOM 715 CA HIS A 154 96.477 -4.655 -1.134 1.00 2.94 C ATOM 716 C HIS A 154 95.918 -4.897 0.265 1.00 3.04 C ATOM 717 O HIS A 154 96.285 -4.207 1.217 1.00 2.70 O ATOM 718 CB HIS A 154 97.686 -5.563 -1.368 1.00 3.32 C ATOM 719 CG HIS A 154 98.015 -5.786 -2.811 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.180 -5.306 -3.361 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.317 -6.450 -3.763 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.166 -5.686 -4.626 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.057 -6.383 -4.917 1.00 4.64 N ATOM 0 H HIS A 154 97.829 -3.098 -1.515 1.00 2.20 H new ATOM 0 HA HIS A 154 95.712 -4.892 -1.874 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.554 -5.129 -0.872 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.499 -6.528 -0.896 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.362 -6.938 -3.638 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.948 -5.464 -5.336 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.811 -6.785 -5.821 1.00 4.64 H new ATOM 731 N SER A 155 95.031 -5.877 0.386 1.00 3.67 N ATOM 732 CA SER A 155 94.423 -6.204 1.672 1.00 3.98 C ATOM 733 C SER A 155 95.482 -6.343 2.766 1.00 4.20 C ATOM 734 O SER A 155 95.485 -5.592 3.740 1.00 4.08 O ATOM 735 CB SER A 155 93.616 -7.499 1.562 1.00 4.76 C ATOM 736 OG SER A 155 92.410 -7.412 2.299 1.00 5.02 O ATOM 0 H SER A 155 94.716 -6.460 -0.390 1.00 3.67 H new ATOM 0 HA SER A 155 93.756 -5.386 1.944 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.392 -7.704 0.515 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.211 -8.335 1.930 1.00 4.76 H new ATOM 0 HG SER A 155 91.912 -8.251 2.211 1.00 5.02 H new ATOM 742 N GLU A 156 96.374 -7.313 2.596 1.00 4.69 N ATOM 743 CA GLU A 156 97.434 -7.560 3.569 1.00 5.06 C ATOM 744 C GLU A 156 98.408 -6.386 3.653 1.00 4.46 C ATOM 745 O GLU A 156 99.106 -6.222 4.654 1.00 4.76 O ATOM 746 CB GLU A 156 98.194 -8.838 3.207 1.00 5.69 C ATOM 747 CG GLU A 156 98.827 -9.530 4.402 1.00 6.28 C ATOM 748 CD GLU A 156 97.809 -9.920 5.456 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.093 -10.921 5.246 1.00 7.31 O ATOM 750 OE2 GLU A 156 97.728 -9.225 6.491 1.00 7.29 O ATOM 0 H GLU A 156 96.385 -7.942 1.793 1.00 4.69 H new ATOM 0 HA GLU A 156 96.964 -7.678 4.545 1.00 5.06 H new ATOM 0 HB2 GLU A 156 97.510 -9.531 2.717 1.00 5.69 H new ATOM 0 HB3 GLU A 156 98.973 -8.595 2.484 1.00 5.69 H new ATOM 0 HG2 GLU A 156 99.354 -10.422 4.064 1.00 6.28 H new ATOM 0 HG3 GLU A 156 99.571 -8.870 4.847 1.00 6.28 H new ATOM 757 N CYS A 157 98.460 -5.573 2.601 1.00 3.72 N ATOM 758 CA CYS A 157 99.361 -4.426 2.571 1.00 3.15 C ATOM 759 C CYS A 157 98.934 -3.360 3.576 1.00 3.01 C ATOM 760 O CYS A 157 99.768 -2.620 4.100 1.00 3.02 O ATOM 761 CB CYS A 157 99.419 -3.823 1.166 1.00 2.51 C ATOM 762 SG CYS A 157 100.839 -4.391 0.173 1.00 2.62 S ATOM 0 H CYS A 157 97.891 -5.687 1.762 1.00 3.72 H new ATOM 0 HA CYS A 157 100.354 -4.780 2.847 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.498 -4.069 0.638 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.458 -2.737 1.249 1.00 2.51 H new ATOM 767 N ARG A 158 97.632 -3.278 3.839 1.00 3.04 N ATOM 768 CA ARG A 158 97.109 -2.291 4.779 1.00 3.06 C ATOM 769 C ARG A 158 97.768 -2.438 6.150 1.00 3.76 C ATOM 770 O ARG A 158 98.053 -1.446 6.823 1.00 3.88 O ATOM 771 CB ARG A 158 95.587 -2.426 4.905 1.00 3.18 C ATOM 772 CG ARG A 158 95.135 -3.652 5.684 1.00 3.57 C ATOM 773 CD ARG A 158 94.945 -3.336 7.159 1.00 4.14 C ATOM 774 NE ARG A 158 93.588 -2.876 7.450 1.00 4.64 N ATOM 775 CZ ARG A 158 92.545 -3.688 7.597 1.00 5.27 C ATOM 776 NH1 ARG A 158 92.694 -5.001 7.475 1.00 5.53 N ATOM 777 NH2 ARG A 158 91.346 -3.185 7.864 1.00 5.95 N ATOM 0 H ARG A 158 96.924 -3.879 3.417 1.00 3.04 H new ATOM 0 HA ARG A 158 97.343 -1.299 4.392 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.193 -1.534 5.392 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.152 -2.463 3.906 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.199 -4.025 5.267 1.00 3.57 H new ATOM 0 HG3 ARG A 158 95.872 -4.447 5.573 1.00 3.57 H new ATOM 0 HD2 ARG A 158 95.161 -4.225 7.751 1.00 4.14 H new ATOM 0 HD3 ARG A 158 95.660 -2.571 7.461 1.00 4.14 H new ATOM 0 HE ARG A 158 93.432 -1.873 7.546 1.00 4.64 H new ATOM 0 HH11 ARG A 158 93.613 -5.393 7.267 1.00 5.53 H new ATOM 0 HH12 ARG A 158 91.890 -5.618 7.589 1.00 5.53 H new ATOM 0 HH21 ARG A 158 91.225 -2.176 7.956 1.00 5.95 H new ATOM 0 HH22 ARG A 158 90.546 -3.807 7.977 1.00 5.95 H new ATOM 791 N SER A 159 98.013 -3.678 6.557 1.00 4.35 N ATOM 792 CA SER A 159 98.640 -3.951 7.844 1.00 5.07 C ATOM 793 C SER A 159 100.118 -3.564 7.836 1.00 5.04 C ATOM 794 O SER A 159 100.756 -3.506 8.887 1.00 5.56 O ATOM 795 CB SER A 159 98.494 -5.433 8.201 1.00 5.71 C ATOM 796 OG SER A 159 97.131 -5.789 8.349 1.00 6.02 O ATOM 0 H SER A 159 97.787 -4.511 6.013 1.00 4.35 H new ATOM 0 HA SER A 159 98.133 -3.346 8.596 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.951 -6.045 7.423 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.030 -5.642 9.127 1.00 5.71 H new ATOM 0 HG SER A 159 97.064 -6.740 8.575 1.00 6.02 H new ATOM 802 N LEU A 160 100.658 -3.301 6.649 1.00 4.50 N ATOM 803 CA LEU A 160 102.060 -2.925 6.517 1.00 4.49 C ATOM 804 C LEU A 160 102.229 -1.407 6.454 1.00 4.25 C ATOM 805 O LEU A 160 103.303 -0.912 6.113 1.00 4.39 O ATOM 806 CB LEU A 160 102.665 -3.568 5.268 1.00 4.13 C ATOM 807 CG LEU A 160 103.059 -5.037 5.422 1.00 4.38 C ATOM 808 CD1 LEU A 160 104.242 -5.175 6.368 1.00 4.84 C ATOM 809 CD2 LEU A 160 101.878 -5.856 5.918 1.00 4.59 C ATOM 0 H LEU A 160 100.146 -3.342 5.768 1.00 4.50 H new ATOM 0 HA LEU A 160 102.585 -3.287 7.401 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.948 -3.484 4.451 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.548 -2.999 4.977 1.00 4.13 H new ATOM 0 HG LEU A 160 103.355 -5.419 4.445 1.00 4.38 H new ATOM 0 HD11 LEU A 160 104.509 -6.227 6.466 1.00 4.84 H new ATOM 0 HD12 LEU A 160 105.092 -4.620 5.971 1.00 4.84 H new ATOM 0 HD13 LEU A 160 103.974 -4.776 7.346 1.00 4.84 H new ATOM 0 HD21 LEU A 160 102.177 -6.899 6.022 1.00 4.59 H new ATOM 0 HD22 LEU A 160 101.551 -5.474 6.885 1.00 4.59 H new ATOM 0 HD23 LEU A 160 101.058 -5.783 5.203 1.00 4.59 H new ATOM 821 N ILE A 161 101.169 -0.671 6.782 1.00 4.04 N ATOM 822 CA ILE A 161 101.223 0.785 6.755 1.00 4.02 C ATOM 823 C ILE A 161 100.389 1.392 7.880 1.00 4.66 C ATOM 824 O ILE A 161 99.169 1.502 7.773 1.00 4.65 O ATOM 825 CB ILE A 161 100.731 1.345 5.405 1.00 3.40 C ATOM 826 CG1 ILE A 161 99.432 0.658 4.981 1.00 2.89 C ATOM 827 CG2 ILE A 161 101.802 1.170 4.339 1.00 3.55 C ATOM 828 CD1 ILE A 161 98.556 1.516 4.097 1.00 2.37 C ATOM 0 H ILE A 161 100.269 -1.058 7.067 1.00 4.04 H new ATOM 0 HA ILE A 161 102.268 1.061 6.894 1.00 4.02 H new ATOM 0 HB ILE A 161 100.531 2.410 5.523 1.00 3.40 H new ATOM 0 HG12 ILE A 161 99.674 -0.265 4.453 1.00 2.89 H new ATOM 0 HG13 ILE A 161 98.871 0.378 5.872 1.00 2.89 H new ATOM 0 HG21 ILE A 161 101.441 1.570 3.391 1.00 3.55 H new ATOM 0 HG22 ILE A 161 102.704 1.704 4.638 1.00 3.55 H new ATOM 0 HG23 ILE A 161 102.030 0.110 4.223 1.00 3.55 H new ATOM 0 HD11 ILE A 161 97.653 0.965 3.835 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.284 2.427 4.629 1.00 2.37 H new ATOM 0 HD13 ILE A 161 99.099 1.775 3.188 1.00 2.37 H new ATOM 840 N GLN A 162 101.060 1.785 8.958 1.00 5.30 N ATOM 841 CA GLN A 162 100.384 2.380 10.106 1.00 6.01 C ATOM 842 C GLN A 162 100.595 3.890 10.139 1.00 6.16 C ATOM 843 O GLN A 162 100.592 4.503 11.207 1.00 6.76 O ATOM 844 CB GLN A 162 100.897 1.756 11.404 1.00 6.80 C ATOM 845 CG GLN A 162 100.225 0.437 11.752 1.00 6.97 C ATOM 846 CD GLN A 162 100.848 -0.742 11.032 1.00 7.56 C ATOM 847 OE1 GLN A 162 100.168 -1.481 10.319 1.00 8.05 O ATOM 848 NE2 GLN A 162 102.151 -0.926 11.215 1.00 7.77 N ATOM 0 H GLN A 162 102.071 1.702 9.061 1.00 5.30 H new ATOM 0 HA GLN A 162 99.316 2.182 10.010 1.00 6.01 H new ATOM 0 HB2 GLN A 162 101.972 1.596 11.320 1.00 6.80 H new ATOM 0 HB3 GLN A 162 100.742 2.460 12.222 1.00 6.80 H new ATOM 0 HG2 GLN A 162 100.287 0.275 12.828 1.00 6.97 H new ATOM 0 HG3 GLN A 162 99.166 0.495 11.499 1.00 6.97 H new ATOM 0 HE21 GLN A 162 102.677 -0.290 11.814 1.00 7.77 H new ATOM 0 HE22 GLN A 162 102.626 -1.704 10.756 1.00 7.77 H new ATOM 857 N LEU A 163 100.780 4.485 8.963 1.00 5.80 N ATOM 858 CA LEU A 163 100.994 5.924 8.861 1.00 6.11 C ATOM 859 C LEU A 163 99.816 6.696 9.445 1.00 6.27 C ATOM 860 O LEU A 163 98.750 6.130 9.689 1.00 6.00 O ATOM 861 CB LEU A 163 101.209 6.325 7.399 1.00 5.81 C ATOM 862 CG LEU A 163 102.655 6.239 6.911 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.551 7.156 7.729 1.00 6.32 C ATOM 864 CD2 LEU A 163 103.155 4.805 6.979 1.00 6.57 C ATOM 0 H LEU A 163 100.786 3.993 8.070 1.00 5.80 H new ATOM 0 HA LEU A 163 101.886 6.174 9.436 1.00 6.11 H new ATOM 0 HB2 LEU A 163 100.590 5.687 6.768 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.856 7.347 7.263 1.00 5.81 H new ATOM 0 HG LEU A 163 102.687 6.566 5.872 1.00 6.22 H new ATOM 0 HD11 LEU A 163 104.576 7.081 7.367 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.206 8.185 7.630 1.00 6.32 H new ATOM 0 HD13 LEU A 163 103.514 6.860 8.777 1.00 6.32 H new ATOM 0 HD21 LEU A 163 104.186 4.762 6.628 1.00 6.57 H new ATOM 0 HD22 LEU A 163 103.107 4.452 8.009 1.00 6.57 H new ATOM 0 HD23 LEU A 163 102.531 4.172 6.349 1.00 6.57 H new ATOM 876 N ASP A 164 100.015 7.991 9.665 1.00 6.82 N ATOM 877 CA ASP A 164 98.969 8.842 10.219 1.00 7.11 C ATOM 878 C ASP A 164 98.068 9.385 9.115 1.00 6.85 C ATOM 879 O ASP A 164 98.523 9.645 8.002 1.00 6.80 O ATOM 880 CB ASP A 164 99.589 10.000 11.003 1.00 7.92 C ATOM 881 CG ASP A 164 99.974 9.603 12.415 1.00 8.46 C ATOM 882 OD1 ASP A 164 100.193 8.396 12.653 1.00 8.71 O ATOM 883 OD2 ASP A 164 100.057 10.499 13.283 1.00 8.87 O ATOM 0 H ASP A 164 100.891 8.474 9.468 1.00 6.82 H new ATOM 0 HA ASP A 164 98.362 8.238 10.894 1.00 7.11 H new ATOM 0 HB2 ASP A 164 100.473 10.360 10.476 1.00 7.92 H new ATOM 0 HB3 ASP A 164 98.882 10.829 11.042 1.00 7.92 H new ATOM 888 N CYS A 165 96.788 9.552 9.431 1.00 6.77 N ATOM 889 CA CYS A 165 95.825 10.062 8.464 1.00 6.61 C ATOM 890 C CYS A 165 95.951 11.573 8.314 1.00 7.27 C ATOM 891 O CYS A 165 95.507 12.334 9.173 1.00 7.79 O ATOM 892 CB CYS A 165 94.402 9.697 8.883 1.00 6.46 C ATOM 893 SG CYS A 165 93.197 9.714 7.516 1.00 5.92 S ATOM 0 H CYS A 165 96.395 9.342 10.348 1.00 6.77 H new ATOM 0 HA CYS A 165 96.041 9.600 7.501 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.411 8.704 9.333 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.071 10.394 9.653 1.00 6.46 H new ATOM 898 N ARG A 166 96.564 11.994 7.215 1.00 7.27 N ATOM 899 CA ARG A 166 96.755 13.415 6.942 1.00 7.93 C ATOM 900 C ARG A 166 95.641 13.953 6.049 1.00 8.10 C ATOM 901 O ARG A 166 95.035 14.976 6.359 1.00 0.00 O ATOM 902 CB ARG A 166 98.114 13.651 6.280 1.00 7.96 C ATOM 903 CG ARG A 166 98.337 12.812 5.032 1.00 7.80 C ATOM 904 CD ARG A 166 99.574 11.934 5.159 1.00 8.18 C ATOM 905 NE ARG A 166 100.334 11.876 3.912 1.00 8.38 N ATOM 906 CZ ARG A 166 100.032 11.069 2.897 1.00 8.69 C ATOM 907 NH1 ARG A 166 98.989 10.251 2.975 1.00 8.85 N ATOM 908 NH2 ARG A 166 100.776 11.081 1.799 1.00 9.07 N ATOM 0 H ARG A 166 96.938 11.373 6.498 1.00 7.27 H new ATOM 0 HA ARG A 166 96.724 13.949 7.892 1.00 7.93 H new ATOM 0 HB2 ARG A 166 98.204 14.706 6.019 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.902 13.433 7.000 1.00 7.96 H new ATOM 0 HG2 ARG A 166 97.463 12.186 4.853 1.00 7.80 H new ATOM 0 HG3 ARG A 166 98.442 13.467 4.167 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.212 12.319 5.955 1.00 8.18 H new ATOM 0 HD3 ARG A 166 99.275 10.927 5.449 1.00 8.18 H new ATOM 0 HE ARG A 166 101.143 12.490 3.814 1.00 8.38 H new ATOM 0 HH11 ARG A 166 98.413 10.238 3.817 1.00 8.85 H new ATOM 0 HH12 ARG A 166 98.764 9.636 2.193 1.00 8.85 H new ATOM 0 HH21 ARG A 166 101.578 11.708 1.733 1.00 9.07 H new ATOM 0 HH22 ARG A 166 100.546 10.463 1.020 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.417 -4.006 -2.058 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.941 8.258 5.897 1.00 4.87 ZN