USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 118 HIS : +bothHN:sc= -2.41 K(o=-2.4,f=-11!) USER MOD Single : A 142 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 148 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.44) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 153 CYS SG : rot -33:sc= -0.0495 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= -0.21 K(o=-0.21,f=-1.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 75.062 11.663 2.342 1.00 10.33 N ATOM 2 CA PRO A 108 76.261 11.498 3.211 1.00 9.87 C ATOM 3 C PRO A 108 75.921 10.769 4.512 1.00 9.14 C ATOM 4 O PRO A 108 76.204 11.260 5.605 1.00 9.03 O ATOM 5 CB PRO A 108 76.810 12.893 3.503 1.00 10.34 C ATOM 6 CG PRO A 108 76.008 13.796 2.629 1.00 11.01 C ATOM 7 CD PRO A 108 74.699 13.089 2.375 1.00 10.96 C ATOM 0 HA PRO A 108 77.005 10.888 2.700 1.00 9.87 H new ATOM 0 HB2 PRO A 108 76.695 13.153 4.555 1.00 10.34 H new ATOM 0 HB3 PRO A 108 77.873 12.958 3.273 1.00 10.34 H new ATOM 0 HG2 PRO A 108 75.842 14.759 3.113 1.00 11.01 H new ATOM 0 HG3 PRO A 108 76.530 13.995 1.693 1.00 11.01 H new ATOM 0 HD2 PRO A 108 73.974 13.298 3.162 1.00 10.96 H new ATOM 0 HD3 PRO A 108 74.250 13.408 1.435 1.00 10.96 H new ATOM 17 N ARG A 109 75.313 9.595 4.383 1.00 8.91 N ATOM 18 CA ARG A 109 74.935 8.797 5.545 1.00 8.49 C ATOM 19 C ARG A 109 76.058 7.847 5.957 1.00 7.86 C ATOM 20 O ARG A 109 75.981 7.204 7.004 1.00 7.78 O ATOM 21 CB ARG A 109 73.663 8.000 5.248 1.00 8.84 C ATOM 22 CG ARG A 109 72.415 8.862 5.148 1.00 9.50 C ATOM 23 CD ARG A 109 72.037 9.452 6.497 1.00 10.20 C ATOM 24 NE ARG A 109 71.643 8.422 7.455 1.00 10.78 N ATOM 25 CZ ARG A 109 70.943 8.666 8.561 1.00 11.32 C ATOM 26 NH1 ARG A 109 70.563 9.904 8.854 1.00 11.37 N ATOM 27 NH2 ARG A 109 70.626 7.671 9.377 1.00 12.00 N ATOM 0 H ARG A 109 75.071 9.174 3.486 1.00 8.91 H new ATOM 0 HA ARG A 109 74.748 9.481 6.372 1.00 8.49 H new ATOM 0 HB2 ARG A 109 73.795 7.456 4.313 1.00 8.84 H new ATOM 0 HB3 ARG A 109 73.519 7.256 6.032 1.00 8.84 H new ATOM 0 HG2 ARG A 109 72.583 9.666 4.432 1.00 9.50 H new ATOM 0 HG3 ARG A 109 71.588 8.264 4.766 1.00 9.50 H new ATOM 0 HD2 ARG A 109 72.881 10.014 6.896 1.00 10.20 H new ATOM 0 HD3 ARG A 109 71.217 10.158 6.367 1.00 10.20 H new ATOM 0 HE ARG A 109 71.921 7.459 7.265 1.00 10.78 H new ATOM 0 HH11 ARG A 109 70.807 10.673 8.231 1.00 11.37 H new ATOM 0 HH12 ARG A 109 70.027 10.086 9.703 1.00 11.37 H new ATOM 0 HH21 ARG A 109 70.918 6.719 9.158 1.00 12.00 H new ATOM 0 HH22 ARG A 109 70.090 7.858 10.224 1.00 12.00 H new ATOM 41 N VAL A 110 77.100 7.758 5.134 1.00 7.68 N ATOM 42 CA VAL A 110 78.232 6.884 5.423 1.00 7.34 C ATOM 43 C VAL A 110 78.854 7.218 6.775 1.00 6.54 C ATOM 44 O VAL A 110 79.542 8.227 6.920 1.00 6.26 O ATOM 45 CB VAL A 110 79.315 6.989 4.333 1.00 7.82 C ATOM 46 CG1 VAL A 110 80.388 5.931 4.540 1.00 8.21 C ATOM 47 CG2 VAL A 110 78.694 6.865 2.949 1.00 8.46 C ATOM 0 H VAL A 110 77.183 8.281 4.262 1.00 7.68 H new ATOM 0 HA VAL A 110 77.847 5.865 5.445 1.00 7.34 H new ATOM 0 HB VAL A 110 79.786 7.969 4.409 1.00 7.82 H new ATOM 0 HG11 VAL A 110 81.144 6.022 3.760 1.00 8.21 H new ATOM 0 HG12 VAL A 110 80.854 6.072 5.515 1.00 8.21 H new ATOM 0 HG13 VAL A 110 79.936 4.940 4.494 1.00 8.21 H new ATOM 0 HG21 VAL A 110 79.474 6.942 2.192 1.00 8.46 H new ATOM 0 HG22 VAL A 110 78.195 5.900 2.859 1.00 8.46 H new ATOM 0 HG23 VAL A 110 77.967 7.664 2.803 1.00 8.46 H new ATOM 57 N LEU A 111 78.605 6.362 7.762 1.00 6.49 N ATOM 58 CA LEU A 111 79.141 6.566 9.102 1.00 6.05 C ATOM 59 C LEU A 111 80.499 5.889 9.254 1.00 5.68 C ATOM 60 O LEU A 111 80.727 5.129 10.198 1.00 6.10 O ATOM 61 CB LEU A 111 78.165 6.024 10.150 1.00 6.60 C ATOM 62 CG LEU A 111 77.991 4.503 10.150 1.00 6.95 C ATOM 63 CD1 LEU A 111 78.017 3.958 11.570 1.00 7.53 C ATOM 64 CD2 LEU A 111 76.695 4.116 9.453 1.00 7.37 C ATOM 0 H LEU A 111 78.036 5.522 7.658 1.00 6.49 H new ATOM 0 HA LEU A 111 79.272 7.637 9.256 1.00 6.05 H new ATOM 0 HB2 LEU A 111 78.507 6.335 11.137 1.00 6.60 H new ATOM 0 HB3 LEU A 111 77.191 6.486 9.990 1.00 6.60 H new ATOM 0 HG LEU A 111 78.824 4.063 9.601 1.00 6.95 H new ATOM 0 HD11 LEU A 111 77.892 2.875 11.547 1.00 7.53 H new ATOM 0 HD12 LEU A 111 78.971 4.203 12.036 1.00 7.53 H new ATOM 0 HD13 LEU A 111 77.207 4.405 12.146 1.00 7.53 H new ATOM 0 HD21 LEU A 111 76.587 3.031 9.462 1.00 7.37 H new ATOM 0 HD22 LEU A 111 75.852 4.569 9.975 1.00 7.37 H new ATOM 0 HD23 LEU A 111 76.716 4.470 8.422 1.00 7.37 H new ATOM 76 N ALA A 112 81.402 6.170 8.320 1.00 5.15 N ATOM 77 CA ALA A 112 82.738 5.589 8.351 1.00 4.90 C ATOM 78 C ALA A 112 83.776 6.616 8.798 1.00 5.28 C ATOM 79 O ALA A 112 84.955 6.509 8.460 1.00 5.66 O ATOM 80 CB ALA A 112 83.103 5.033 6.983 1.00 4.47 C ATOM 0 H ALA A 112 81.232 6.796 7.533 1.00 5.15 H new ATOM 0 HA ALA A 112 82.735 4.775 9.076 1.00 4.90 H new ATOM 0 HB1 ALA A 112 84.103 4.602 7.021 1.00 4.47 H new ATOM 0 HB2 ALA A 112 82.386 4.262 6.701 1.00 4.47 H new ATOM 0 HB3 ALA A 112 83.081 5.836 6.246 1.00 4.47 H new ATOM 86 N GLU A 113 83.329 7.611 9.559 1.00 5.43 N ATOM 87 CA GLU A 113 84.221 8.655 10.051 1.00 5.94 C ATOM 88 C GLU A 113 84.760 8.302 11.434 1.00 6.10 C ATOM 89 O GLU A 113 85.876 8.681 11.790 1.00 6.17 O ATOM 90 CB GLU A 113 83.486 9.995 10.104 1.00 6.32 C ATOM 91 CG GLU A 113 84.388 11.169 10.451 1.00 6.89 C ATOM 92 CD GLU A 113 83.608 12.435 10.749 1.00 7.44 C ATOM 93 OE1 GLU A 113 82.861 12.450 11.750 1.00 7.92 O ATOM 94 OE2 GLU A 113 83.744 13.411 9.981 1.00 7.69 O ATOM 0 H GLU A 113 82.356 7.716 9.848 1.00 5.43 H new ATOM 0 HA GLU A 113 85.063 8.736 9.363 1.00 5.94 H new ATOM 0 HB2 GLU A 113 83.016 10.181 9.138 1.00 6.32 H new ATOM 0 HB3 GLU A 113 82.685 9.932 10.841 1.00 6.32 H new ATOM 0 HG2 GLU A 113 84.998 10.910 11.316 1.00 6.89 H new ATOM 0 HG3 GLU A 113 85.072 11.354 9.623 1.00 6.89 H new ATOM 101 N ARG A 114 83.960 7.576 12.207 1.00 6.45 N ATOM 102 CA ARG A 114 84.357 7.173 13.552 1.00 6.82 C ATOM 103 C ARG A 114 85.192 5.894 13.513 1.00 6.52 C ATOM 104 O ARG A 114 84.845 4.892 14.139 1.00 6.48 O ATOM 105 CB ARG A 114 83.118 6.979 14.432 1.00 7.39 C ATOM 106 CG ARG A 114 83.156 7.786 15.721 1.00 8.23 C ATOM 107 CD ARG A 114 83.057 6.890 16.945 1.00 8.84 C ATOM 108 NE ARG A 114 84.362 6.649 17.555 1.00 9.52 N ATOM 109 CZ ARG A 114 84.607 5.669 18.421 1.00 10.11 C ATOM 110 NH1 ARG A 114 83.638 4.837 18.782 1.00 10.12 N ATOM 111 NH2 ARG A 114 85.823 5.520 18.927 1.00 10.88 N ATOM 0 H ARG A 114 83.034 7.255 11.926 1.00 6.45 H new ATOM 0 HA ARG A 114 84.972 7.964 13.981 1.00 6.82 H new ATOM 0 HB2 ARG A 114 82.231 7.259 13.864 1.00 7.39 H new ATOM 0 HB3 ARG A 114 83.019 5.922 14.678 1.00 7.39 H new ATOM 0 HG2 ARG A 114 84.081 8.361 15.764 1.00 8.23 H new ATOM 0 HG3 ARG A 114 82.335 8.503 15.727 1.00 8.23 H new ATOM 0 HD2 ARG A 114 82.394 7.350 17.678 1.00 8.84 H new ATOM 0 HD3 ARG A 114 82.608 5.938 16.662 1.00 8.84 H new ATOM 0 HE ARG A 114 85.131 7.269 17.302 1.00 9.52 H new ATOM 0 HH11 ARG A 114 82.701 4.947 18.395 1.00 10.12 H new ATOM 0 HH12 ARG A 114 83.831 4.087 19.446 1.00 10.12 H new ATOM 0 HH21 ARG A 114 86.571 6.157 18.653 1.00 10.88 H new ATOM 0 HH22 ARG A 114 86.011 4.769 19.591 1.00 10.88 H new ATOM 125 N GLY A 115 86.295 5.936 12.772 1.00 6.59 N ATOM 126 CA GLY A 115 87.161 4.777 12.666 1.00 6.53 C ATOM 127 C GLY A 115 88.476 4.968 13.397 1.00 6.78 C ATOM 128 O GLY A 115 88.631 5.909 14.175 1.00 6.99 O ATOM 0 H GLY A 115 86.604 6.752 12.243 1.00 6.59 H new ATOM 0 HA2 GLY A 115 86.647 3.905 13.070 1.00 6.53 H new ATOM 0 HA3 GLY A 115 87.360 4.571 11.614 1.00 6.53 H new ATOM 132 N GLU A 116 89.426 4.071 13.147 1.00 6.92 N ATOM 133 CA GLU A 116 90.734 4.144 13.788 1.00 7.28 C ATOM 134 C GLU A 116 91.746 4.841 12.881 1.00 7.01 C ATOM 135 O GLU A 116 92.836 4.323 12.637 1.00 7.37 O ATOM 136 CB GLU A 116 91.228 2.740 14.146 1.00 7.73 C ATOM 137 CG GLU A 116 91.902 2.662 15.506 1.00 8.27 C ATOM 138 CD GLU A 116 90.908 2.655 16.650 1.00 8.72 C ATOM 139 OE1 GLU A 116 90.000 3.513 16.654 1.00 8.96 O ATOM 140 OE2 GLU A 116 91.036 1.791 17.542 1.00 9.05 O ATOM 0 H GLU A 116 89.314 3.286 12.505 1.00 6.92 H new ATOM 0 HA GLU A 116 90.633 4.728 14.703 1.00 7.28 H new ATOM 0 HB2 GLU A 116 90.384 2.051 14.128 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.929 2.405 13.382 1.00 7.73 H new ATOM 0 HG2 GLU A 116 92.512 1.760 15.554 1.00 8.27 H new ATOM 0 HG3 GLU A 116 92.577 3.510 15.622 1.00 8.27 H new ATOM 147 N GLY A 117 91.376 6.017 12.384 1.00 6.59 N ATOM 148 CA GLY A 117 92.262 6.764 11.511 1.00 6.40 C ATOM 149 C GLY A 117 91.958 6.534 10.043 1.00 5.64 C ATOM 150 O GLY A 117 90.983 7.068 9.515 1.00 5.49 O ATOM 0 H GLY A 117 90.479 6.466 12.570 1.00 6.59 H new ATOM 0 HA2 GLY A 117 92.176 7.827 11.735 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.294 6.478 11.715 1.00 6.40 H new ATOM 154 N HIS A 118 92.793 5.736 9.386 1.00 5.19 N ATOM 155 CA HIS A 118 92.608 5.435 7.971 1.00 4.46 C ATOM 156 C HIS A 118 91.250 4.784 7.725 1.00 4.06 C ATOM 157 O HIS A 118 90.954 3.721 8.271 1.00 4.20 O ATOM 158 CB HIS A 118 93.721 4.508 7.475 1.00 4.14 C ATOM 159 CG HIS A 118 94.967 5.229 7.064 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.046 6.600 7.094 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.146 4.727 6.623 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.262 6.901 6.676 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.966 5.798 6.378 1.00 4.60 N ATOM 0 H HIS A 118 93.604 5.286 9.810 1.00 5.19 H new ATOM 0 HA HIS A 118 92.649 6.374 7.419 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.967 3.796 8.263 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.350 3.930 6.628 1.00 4.14 H new ATOM 0 HD1 HIS A 118 94.315 7.252 7.380 1.00 4.82 H new ATOM 0 HD2 HIS A 118 96.392 3.684 6.490 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.642 7.908 6.585 1.00 4.97 H new ATOM 0 HE2 HIS A 118 97.926 5.763 6.035 1.00 4.60 H new ATOM 171 N ARG A 119 90.430 5.426 6.900 1.00 3.68 N ATOM 172 CA ARG A 119 89.109 4.901 6.583 1.00 3.29 C ATOM 173 C ARG A 119 89.221 3.658 5.708 1.00 2.55 C ATOM 174 O ARG A 119 88.589 2.636 5.977 1.00 2.42 O ATOM 175 CB ARG A 119 88.266 5.966 5.877 1.00 3.40 C ATOM 176 CG ARG A 119 88.874 6.458 4.574 1.00 3.29 C ATOM 177 CD ARG A 119 88.126 7.667 4.031 1.00 3.67 C ATOM 178 NE ARG A 119 87.447 7.370 2.772 1.00 3.86 N ATOM 179 CZ ARG A 119 86.430 8.083 2.290 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.973 9.135 2.957 1.00 4.64 N ATOM 181 NH2 ARG A 119 85.872 7.742 1.138 1.00 4.88 N ATOM 0 H ARG A 119 90.657 6.308 6.440 1.00 3.68 H new ATOM 0 HA ARG A 119 88.618 4.626 7.517 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.276 5.558 5.675 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.131 6.814 6.548 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.920 6.718 4.735 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.855 5.656 3.837 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.395 8.002 4.767 1.00 3.67 H new ATOM 0 HD3 ARG A 119 88.826 8.489 3.880 1.00 3.67 H new ATOM 0 HE ARG A 119 87.771 6.569 2.230 1.00 3.86 H new ATOM 0 HH11 ARG A 119 86.401 9.402 3.844 1.00 4.64 H new ATOM 0 HH12 ARG A 119 85.194 9.677 2.583 1.00 4.64 H new ATOM 0 HH21 ARG A 119 86.221 6.935 0.621 1.00 4.88 H new ATOM 0 HH22 ARG A 119 85.093 8.287 0.768 1.00 4.88 H new ATOM 195 N PHE A 120 90.036 3.751 4.661 1.00 2.20 N ATOM 196 CA PHE A 120 90.243 2.634 3.742 1.00 1.52 C ATOM 197 C PHE A 120 88.916 2.034 3.292 1.00 1.27 C ATOM 198 O PHE A 120 88.349 1.180 3.973 1.00 1.46 O ATOM 199 CB PHE A 120 91.094 1.552 4.412 1.00 1.60 C ATOM 200 CG PHE A 120 92.574 1.772 4.271 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.148 1.954 3.022 1.00 1.32 C ATOM 202 CD2 PHE A 120 93.391 1.796 5.389 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.509 2.156 2.893 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.753 1.996 5.266 1.00 2.70 C ATOM 205 CZ PHE A 120 95.311 2.177 4.016 1.00 2.25 C ATOM 0 H PHE A 120 90.566 4.591 4.427 1.00 2.20 H new ATOM 0 HA PHE A 120 90.763 3.017 2.864 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.842 1.508 5.472 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.837 0.583 3.983 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.525 1.938 2.140 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.959 1.657 6.369 1.00 2.46 H new ATOM 0 HE1 PHE A 120 94.944 2.297 1.915 1.00 1.56 H new ATOM 0 HE2 PHE A 120 95.379 2.011 6.146 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.375 2.335 3.917 1.00 2.25 H new ATOM 215 N VAL A 121 88.427 2.476 2.138 1.00 1.28 N ATOM 216 CA VAL A 121 87.168 1.965 1.608 1.00 1.47 C ATOM 217 C VAL A 121 87.408 0.748 0.717 1.00 1.73 C ATOM 218 O VAL A 121 88.114 0.832 -0.287 1.00 2.05 O ATOM 219 CB VAL A 121 86.394 3.044 0.819 1.00 2.05 C ATOM 220 CG1 VAL A 121 86.235 4.304 1.656 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.080 3.360 -0.502 1.00 2.59 C ATOM 0 H VAL A 121 88.879 3.181 1.556 1.00 1.28 H new ATOM 0 HA VAL A 121 86.560 1.670 2.463 1.00 1.47 H new ATOM 0 HB VAL A 121 85.403 2.649 0.593 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.687 5.054 1.085 1.00 2.26 H new ATOM 0 HG12 VAL A 121 85.685 4.069 2.567 1.00 2.26 H new ATOM 0 HG13 VAL A 121 87.219 4.694 1.917 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.511 4.123 -1.034 1.00 2.59 H new ATOM 0 HG22 VAL A 121 88.088 3.727 -0.310 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.133 2.457 -1.110 1.00 2.59 H new ATOM 231 N GLU A 122 86.821 -0.382 1.098 1.00 1.96 N ATOM 232 CA GLU A 122 86.977 -1.622 0.341 1.00 2.61 C ATOM 233 C GLU A 122 86.239 -1.549 -0.992 1.00 3.15 C ATOM 234 O GLU A 122 85.129 -1.025 -1.071 1.00 3.31 O ATOM 235 CB GLU A 122 86.462 -2.809 1.156 1.00 3.09 C ATOM 236 CG GLU A 122 85.078 -2.587 1.747 1.00 3.41 C ATOM 237 CD GLU A 122 85.122 -2.269 3.228 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.783 -1.278 3.604 1.00 4.00 O ATOM 239 OE2 GLU A 122 84.495 -3.012 4.014 1.00 4.17 O ATOM 0 H GLU A 122 86.232 -0.466 1.927 1.00 1.96 H new ATOM 0 HA GLU A 122 88.039 -1.760 0.138 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.438 -3.693 0.519 1.00 3.09 H new ATOM 0 HB3 GLU A 122 87.164 -3.016 1.964 1.00 3.09 H new ATOM 0 HG2 GLU A 122 84.588 -1.770 1.218 1.00 3.41 H new ATOM 0 HG3 GLU A 122 84.472 -3.479 1.588 1.00 3.41 H new ATOM 246 N LEU A 123 86.866 -2.081 -2.037 1.00 3.56 N ATOM 247 CA LEU A 123 86.271 -2.082 -3.367 1.00 4.25 C ATOM 248 C LEU A 123 85.745 -3.468 -3.727 1.00 4.92 C ATOM 249 O LEU A 123 86.365 -4.482 -3.403 1.00 5.12 O ATOM 250 CB LEU A 123 87.297 -1.627 -4.408 1.00 4.48 C ATOM 251 CG LEU A 123 87.599 -0.129 -4.408 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.339 0.670 -4.700 1.00 5.51 C ATOM 253 CD2 LEU A 123 88.201 0.290 -3.076 1.00 5.24 C ATOM 0 H LEU A 123 87.787 -2.517 -1.987 1.00 3.56 H new ATOM 0 HA LEU A 123 85.433 -1.385 -3.363 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.227 -2.170 -4.240 1.00 4.48 H new ATOM 0 HB3 LEU A 123 86.938 -1.910 -5.397 1.00 4.48 H new ATOM 0 HG LEU A 123 88.324 0.077 -5.195 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.574 1.734 -4.696 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.948 0.389 -5.678 1.00 5.51 H new ATOM 0 HD13 LEU A 123 85.590 0.461 -3.936 1.00 5.51 H new ATOM 0 HD21 LEU A 123 88.411 1.360 -3.092 1.00 5.24 H new ATOM 0 HD22 LEU A 123 87.497 0.070 -2.273 1.00 5.24 H new ATOM 0 HD23 LEU A 123 89.127 -0.259 -2.907 1.00 5.24 H new ATOM 265 N ALA A 124 84.599 -3.505 -4.399 1.00 5.38 N ATOM 266 CA ALA A 124 83.990 -4.767 -4.803 1.00 6.08 C ATOM 267 C ALA A 124 84.586 -5.270 -6.114 1.00 6.69 C ATOM 268 O ALA A 124 84.343 -4.699 -7.176 1.00 7.13 O ATOM 269 CB ALA A 124 82.484 -4.607 -4.934 1.00 6.38 C ATOM 0 H ALA A 124 84.073 -2.676 -4.675 1.00 5.38 H new ATOM 0 HA ALA A 124 84.201 -5.507 -4.031 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.042 -5.557 -5.236 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.066 -4.301 -3.975 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.263 -3.849 -5.685 1.00 6.38 H new ATOM 275 N LEU A 125 85.369 -6.341 -6.032 1.00 6.81 N ATOM 276 CA LEU A 125 85.997 -6.919 -7.213 1.00 7.42 C ATOM 277 C LEU A 125 85.005 -7.777 -7.992 1.00 8.16 C ATOM 278 O LEU A 125 84.672 -8.889 -7.581 1.00 8.46 O ATOM 279 CB LEU A 125 87.217 -7.754 -6.811 1.00 7.36 C ATOM 280 CG LEU A 125 88.568 -7.086 -7.068 1.00 6.97 C ATOM 281 CD1 LEU A 125 89.048 -6.355 -5.823 1.00 6.96 C ATOM 282 CD2 LEU A 125 89.598 -8.114 -7.514 1.00 7.07 C ATOM 0 H LEU A 125 85.583 -6.825 -5.160 1.00 6.81 H new ATOM 0 HA LEU A 125 86.324 -6.103 -7.858 1.00 7.42 H new ATOM 0 HB2 LEU A 125 87.142 -7.992 -5.750 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.187 -8.699 -7.353 1.00 7.36 H new ATOM 0 HG LEU A 125 88.443 -6.357 -7.868 1.00 6.97 H new ATOM 0 HD11 LEU A 125 90.011 -5.886 -6.025 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.322 -5.590 -5.548 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.155 -7.065 -5.003 1.00 6.96 H new ATOM 0 HD21 LEU A 125 90.553 -7.619 -7.692 1.00 7.07 H new ATOM 0 HD22 LEU A 125 89.720 -8.868 -6.736 1.00 7.07 H new ATOM 0 HD23 LEU A 125 89.260 -8.592 -8.434 1.00 7.07 H new ATOM 294 N ARG A 126 84.539 -7.253 -9.120 1.00 8.60 N ATOM 295 CA ARG A 126 83.586 -7.965 -9.962 1.00 9.37 C ATOM 296 C ARG A 126 83.429 -7.265 -11.307 1.00 9.91 C ATOM 297 O ARG A 126 82.477 -6.511 -11.518 1.00 10.39 O ATOM 298 CB ARG A 126 82.230 -8.066 -9.262 1.00 9.55 C ATOM 299 CG ARG A 126 81.753 -6.749 -8.670 1.00 9.90 C ATOM 300 CD ARG A 126 80.274 -6.518 -8.937 1.00 10.24 C ATOM 301 NE ARG A 126 79.434 -7.071 -7.879 1.00 10.60 N ATOM 302 CZ ARG A 126 78.118 -7.244 -7.990 1.00 11.07 C ATOM 303 NH1 ARG A 126 77.491 -6.909 -9.109 1.00 11.25 N ATOM 304 NH2 ARG A 126 77.429 -7.754 -6.979 1.00 11.57 N ATOM 0 H ARG A 126 84.807 -6.334 -9.473 1.00 8.60 H new ATOM 0 HA ARG A 126 83.969 -8.970 -10.137 1.00 9.37 H new ATOM 0 HB2 ARG A 126 81.488 -8.425 -9.975 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.295 -8.810 -8.468 1.00 9.55 H new ATOM 0 HG2 ARG A 126 81.934 -6.746 -7.595 1.00 9.90 H new ATOM 0 HG3 ARG A 126 82.332 -5.928 -9.093 1.00 9.90 H new ATOM 0 HD2 ARG A 126 80.085 -5.448 -9.028 1.00 10.24 H new ATOM 0 HD3 ARG A 126 80.002 -6.972 -9.890 1.00 10.24 H new ATOM 0 HE ARG A 126 79.881 -7.341 -7.003 1.00 10.60 H new ATOM 0 HH11 ARG A 126 78.017 -6.517 -9.890 1.00 11.25 H new ATOM 0 HH12 ARG A 126 76.483 -7.044 -9.189 1.00 11.25 H new ATOM 0 HH21 ARG A 126 77.907 -8.014 -6.116 1.00 11.57 H new ATOM 0 HH22 ARG A 126 76.421 -7.886 -7.064 1.00 11.57 H new ATOM 318 N GLY A 127 84.369 -7.513 -12.210 1.00 9.94 N ATOM 319 CA GLY A 127 84.321 -6.893 -13.521 1.00 10.50 C ATOM 320 C GLY A 127 85.224 -5.679 -13.617 1.00 10.13 C ATOM 321 O GLY A 127 84.997 -4.789 -14.436 1.00 10.47 O ATOM 0 H GLY A 127 85.165 -8.133 -12.058 1.00 9.94 H new ATOM 0 HA2 GLY A 127 84.615 -7.622 -14.276 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.295 -6.599 -13.744 1.00 10.50 H new ATOM 325 N GLY A 128 86.252 -5.643 -12.775 1.00 9.48 N ATOM 326 CA GLY A 128 87.181 -4.528 -12.777 1.00 9.18 C ATOM 327 C GLY A 128 88.313 -4.719 -11.786 1.00 8.58 C ATOM 328 O GLY A 128 88.172 -4.382 -10.610 1.00 8.03 O ATOM 0 H GLY A 128 86.459 -6.369 -12.089 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.595 -4.405 -13.778 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.644 -3.610 -12.539 1.00 9.18 H new ATOM 332 N PRO A 129 89.458 -5.262 -12.234 1.00 8.71 N ATOM 333 CA PRO A 129 90.615 -5.495 -11.363 1.00 8.20 C ATOM 334 C PRO A 129 91.001 -4.261 -10.560 1.00 7.43 C ATOM 335 O PRO A 129 90.364 -3.211 -10.664 1.00 7.36 O ATOM 336 CB PRO A 129 91.732 -5.855 -12.345 1.00 8.64 C ATOM 337 CG PRO A 129 91.030 -6.419 -13.531 1.00 9.37 C ATOM 338 CD PRO A 129 89.713 -5.695 -13.621 1.00 9.42 C ATOM 0 HA PRO A 129 90.411 -6.266 -10.620 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.320 -4.978 -12.614 1.00 8.64 H new ATOM 0 HB3 PRO A 129 92.421 -6.580 -11.912 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.618 -6.273 -14.437 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.878 -7.493 -13.419 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.768 -4.846 -14.302 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.921 -6.348 -13.989 1.00 9.42 H new ATOM 346 N GLY A 130 92.057 -4.393 -9.768 1.00 6.90 N ATOM 347 CA GLY A 130 92.534 -3.292 -8.962 1.00 6.16 C ATOM 348 C GLY A 130 94.042 -3.292 -8.898 1.00 5.90 C ATOM 349 O GLY A 130 94.661 -4.352 -8.867 1.00 6.04 O ATOM 0 H GLY A 130 92.595 -5.254 -9.671 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.183 -2.349 -9.381 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.122 -3.366 -7.955 1.00 6.16 H new ATOM 353 N TRP A 131 94.642 -2.116 -8.908 1.00 5.60 N ATOM 354 CA TRP A 131 96.092 -2.021 -8.874 1.00 5.39 C ATOM 355 C TRP A 131 96.576 -1.360 -7.590 1.00 4.56 C ATOM 356 O TRP A 131 96.273 -0.198 -7.320 1.00 4.36 O ATOM 357 CB TRP A 131 96.584 -1.250 -10.096 1.00 5.91 C ATOM 358 CG TRP A 131 96.539 -2.061 -11.356 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.472 -2.761 -11.839 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.606 -2.259 -12.291 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.809 -3.383 -13.017 1.00 7.84 N ATOM 362 CE2 TRP A 131 97.114 -3.091 -13.314 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.930 -1.815 -12.360 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.900 -3.485 -14.395 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.708 -2.208 -13.433 1.00 7.59 C ATOM 366 CH2 TRP A 131 99.190 -3.035 -14.438 1.00 8.26 C ATOM 0 H TRP A 131 94.155 -1.221 -8.939 1.00 5.60 H new ATOM 0 HA TRP A 131 96.505 -3.030 -8.896 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.975 -0.355 -10.224 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.607 -0.917 -9.921 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.504 -2.818 -11.364 1.00 7.16 H new ATOM 0 HE1 TRP A 131 95.189 -3.967 -13.578 1.00 7.84 H new ATOM 0 HE3 TRP A 131 99.337 -1.177 -11.590 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 97.504 -4.123 -15.171 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.732 -1.872 -13.498 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.823 -3.323 -15.264 1.00 8.26 H new ATOM 377 N CYS A 132 97.330 -2.118 -6.799 1.00 4.17 N ATOM 378 CA CYS A 132 97.866 -1.627 -5.534 1.00 3.38 C ATOM 379 C CYS A 132 98.652 -0.336 -5.734 1.00 3.29 C ATOM 380 O CYS A 132 99.864 -0.361 -5.953 1.00 3.32 O ATOM 381 CB CYS A 132 98.760 -2.693 -4.901 1.00 3.20 C ATOM 382 SG CYS A 132 99.278 -2.312 -3.200 1.00 2.31 S ATOM 0 H CYS A 132 97.585 -3.082 -7.014 1.00 4.17 H new ATOM 0 HA CYS A 132 97.030 -1.414 -4.868 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.229 -3.645 -4.903 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.648 -2.822 -5.520 1.00 3.20 H new ATOM 387 N ASP A 133 97.951 0.792 -5.652 1.00 3.33 N ATOM 388 CA ASP A 133 98.569 2.106 -5.823 1.00 3.56 C ATOM 389 C ASP A 133 99.874 2.209 -5.038 1.00 3.14 C ATOM 390 O ASP A 133 100.797 2.919 -5.436 1.00 3.53 O ATOM 391 CB ASP A 133 97.604 3.202 -5.375 1.00 3.65 C ATOM 392 CG ASP A 133 96.359 3.268 -6.238 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.489 3.555 -7.447 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.254 3.034 -5.705 1.00 3.89 O ATOM 0 H ASP A 133 96.948 0.823 -5.467 1.00 3.33 H new ATOM 0 HA ASP A 133 98.797 2.236 -6.881 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.315 3.026 -4.339 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.114 4.165 -5.404 1.00 3.65 H new ATOM 399 N LEU A 134 99.941 1.493 -3.923 1.00 2.45 N ATOM 400 CA LEU A 134 101.127 1.495 -3.079 1.00 2.10 C ATOM 401 C LEU A 134 102.290 0.794 -3.784 1.00 2.27 C ATOM 402 O LEU A 134 103.375 1.359 -3.924 1.00 2.50 O ATOM 403 CB LEU A 134 100.803 0.818 -1.738 1.00 1.47 C ATOM 404 CG LEU A 134 101.939 0.019 -1.082 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.700 0.885 -0.092 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.380 -1.215 -0.395 1.00 1.35 C ATOM 0 H LEU A 134 99.184 0.901 -3.582 1.00 2.45 H new ATOM 0 HA LEU A 134 101.431 2.524 -2.887 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.478 1.587 -1.037 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.957 0.147 -1.890 1.00 1.47 H new ATOM 0 HG LEU A 134 102.635 -0.299 -1.858 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.501 0.301 0.362 1.00 1.61 H new ATOM 0 HD12 LEU A 134 103.127 1.743 -0.612 1.00 1.61 H new ATOM 0 HD13 LEU A 134 102.019 1.233 0.685 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.194 -1.774 0.067 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.666 -0.913 0.372 1.00 1.35 H new ATOM 0 HD23 LEU A 134 100.878 -1.845 -1.130 1.00 1.35 H new ATOM 418 N CYS A 135 102.051 -0.438 -4.219 1.00 2.35 N ATOM 419 CA CYS A 135 103.073 -1.221 -4.906 1.00 2.66 C ATOM 420 C CYS A 135 102.984 -1.028 -6.417 1.00 3.37 C ATOM 421 O CYS A 135 103.875 -0.441 -7.032 1.00 3.63 O ATOM 422 CB CYS A 135 102.930 -2.706 -4.564 1.00 2.75 C ATOM 423 SG CYS A 135 102.521 -3.043 -2.820 1.00 2.27 S ATOM 0 H CYS A 135 101.157 -0.917 -4.108 1.00 2.35 H new ATOM 0 HA CYS A 135 104.048 -0.870 -4.567 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.155 -3.139 -5.196 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.862 -3.214 -4.810 1.00 2.75 H new ATOM 428 N GLY A 136 101.905 -1.526 -7.009 1.00 3.77 N ATOM 429 CA GLY A 136 101.719 -1.401 -8.443 1.00 4.51 C ATOM 430 C GLY A 136 101.164 -2.665 -9.073 1.00 5.01 C ATOM 431 O GLY A 136 100.666 -2.637 -10.199 1.00 5.65 O ATOM 0 H GLY A 136 101.154 -2.015 -6.521 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.042 -0.571 -8.647 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.673 -1.156 -8.909 1.00 4.51 H new ATOM 435 N ARG A 137 101.251 -3.778 -8.349 1.00 4.84 N ATOM 436 CA ARG A 137 100.754 -5.055 -8.848 1.00 5.43 C ATOM 437 C ARG A 137 99.229 -5.084 -8.849 1.00 5.63 C ATOM 438 O ARG A 137 98.579 -4.089 -8.525 1.00 5.30 O ATOM 439 CB ARG A 137 101.296 -6.204 -7.994 1.00 5.35 C ATOM 440 CG ARG A 137 102.810 -6.331 -8.040 1.00 5.18 C ATOM 441 CD ARG A 137 103.339 -7.112 -6.848 1.00 5.55 C ATOM 442 NE ARG A 137 103.806 -6.231 -5.779 1.00 5.46 N ATOM 443 CZ ARG A 137 104.470 -6.653 -4.708 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.748 -7.942 -4.554 1.00 6.61 N ATOM 445 NH2 ARG A 137 104.857 -5.786 -3.783 1.00 6.15 N ATOM 0 H ARG A 137 101.661 -3.820 -7.416 1.00 4.84 H new ATOM 0 HA ARG A 137 101.102 -5.176 -9.874 1.00 5.43 H new ATOM 0 HB2 ARG A 137 100.983 -6.057 -6.960 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.850 -7.139 -8.332 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.107 -6.829 -8.963 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.259 -5.338 -8.054 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.554 -7.763 -6.464 1.00 5.55 H new ATOM 0 HD3 ARG A 137 104.157 -7.756 -7.171 1.00 5.55 H new ATOM 0 HE ARG A 137 103.611 -5.233 -5.860 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.452 -8.616 -5.260 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.258 -8.259 -3.729 1.00 6.61 H new ATOM 0 HH21 ARG A 137 104.645 -4.794 -3.893 1.00 6.15 H new ATOM 0 HH22 ARG A 137 105.367 -6.111 -2.961 1.00 6.15 H new ATOM 459 N GLU A 138 98.662 -6.228 -9.220 1.00 6.20 N ATOM 460 CA GLU A 138 97.214 -6.384 -9.264 1.00 6.47 C ATOM 461 C GLU A 138 96.671 -6.845 -7.914 1.00 6.14 C ATOM 462 O GLU A 138 97.218 -7.754 -7.292 1.00 6.19 O ATOM 463 CB GLU A 138 96.823 -7.382 -10.357 1.00 7.34 C ATOM 464 CG GLU A 138 96.297 -6.723 -11.622 1.00 8.03 C ATOM 465 CD GLU A 138 95.365 -7.626 -12.406 1.00 8.64 C ATOM 466 OE1 GLU A 138 94.495 -8.268 -11.780 1.00 8.93 O ATOM 467 OE2 GLU A 138 95.504 -7.692 -13.646 1.00 9.02 O ATOM 0 H GLU A 138 99.184 -7.060 -9.494 1.00 6.20 H new ATOM 0 HA GLU A 138 96.775 -5.413 -9.494 1.00 6.47 H new ATOM 0 HB2 GLU A 138 97.691 -7.991 -10.609 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.062 -8.057 -9.966 1.00 7.34 H new ATOM 0 HG2 GLU A 138 95.771 -5.806 -11.358 1.00 8.03 H new ATOM 0 HG3 GLU A 138 97.137 -6.437 -12.255 1.00 8.03 H new ATOM 474 N VAL A 139 95.591 -6.210 -7.473 1.00 5.87 N ATOM 475 CA VAL A 139 94.968 -6.550 -6.201 1.00 5.60 C ATOM 476 C VAL A 139 93.757 -7.458 -6.410 1.00 6.26 C ATOM 477 O VAL A 139 92.691 -7.007 -6.831 1.00 6.56 O ATOM 478 CB VAL A 139 94.545 -5.279 -5.429 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.748 -4.378 -5.186 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.451 -4.528 -6.178 1.00 5.14 C ATOM 0 H VAL A 139 95.128 -5.455 -7.980 1.00 5.87 H new ATOM 0 HA VAL A 139 95.709 -7.086 -5.608 1.00 5.60 H new ATOM 0 HB VAL A 139 94.143 -5.584 -4.463 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.432 -3.488 -4.642 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.493 -4.916 -4.600 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.181 -4.084 -6.142 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.170 -3.638 -5.615 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.819 -4.235 -7.161 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.580 -5.174 -6.294 1.00 5.14 H new ATOM 490 N LEU A 140 93.932 -8.744 -6.125 1.00 6.55 N ATOM 491 CA LEU A 140 92.859 -9.718 -6.291 1.00 7.22 C ATOM 492 C LEU A 140 91.919 -9.716 -5.089 1.00 6.99 C ATOM 493 O LEU A 140 90.729 -9.999 -5.220 1.00 7.24 O ATOM 494 CB LEU A 140 93.439 -11.118 -6.500 1.00 7.76 C ATOM 495 CG LEU A 140 94.127 -11.727 -5.277 1.00 8.26 C ATOM 496 CD1 LEU A 140 93.967 -13.239 -5.273 1.00 8.62 C ATOM 497 CD2 LEU A 140 95.601 -11.346 -5.251 1.00 8.78 C ATOM 0 H LEU A 140 94.807 -9.136 -5.778 1.00 6.55 H new ATOM 0 HA LEU A 140 92.284 -9.434 -7.173 1.00 7.22 H new ATOM 0 HB2 LEU A 140 92.635 -11.784 -6.814 1.00 7.76 H new ATOM 0 HB3 LEU A 140 94.157 -11.078 -7.319 1.00 7.76 H new ATOM 0 HG LEU A 140 93.652 -11.329 -4.380 1.00 8.26 H new ATOM 0 HD11 LEU A 140 94.463 -13.655 -4.396 1.00 8.62 H new ATOM 0 HD12 LEU A 140 92.907 -13.493 -5.245 1.00 8.62 H new ATOM 0 HD13 LEU A 140 94.416 -13.655 -6.175 1.00 8.62 H new ATOM 0 HD21 LEU A 140 96.075 -11.787 -4.375 1.00 8.78 H new ATOM 0 HD22 LEU A 140 96.089 -11.716 -6.153 1.00 8.78 H new ATOM 0 HD23 LEU A 140 95.696 -10.261 -5.207 1.00 8.78 H new ATOM 509 N ARG A 141 92.460 -9.398 -3.919 1.00 6.56 N ATOM 510 CA ARG A 141 91.667 -9.364 -2.696 1.00 6.36 C ATOM 511 C ARG A 141 91.004 -8.003 -2.516 1.00 5.74 C ATOM 512 O ARG A 141 91.337 -7.043 -3.210 1.00 5.48 O ATOM 513 CB ARG A 141 92.545 -9.684 -1.486 1.00 6.20 C ATOM 514 CG ARG A 141 92.657 -11.172 -1.194 1.00 6.87 C ATOM 515 CD ARG A 141 94.061 -11.551 -0.744 1.00 7.11 C ATOM 516 NE ARG A 141 94.654 -12.571 -1.605 1.00 7.57 N ATOM 517 CZ ARG A 141 95.691 -13.326 -1.252 1.00 8.00 C ATOM 518 NH1 ARG A 141 96.253 -13.182 -0.058 1.00 8.08 N ATOM 519 NH2 ARG A 141 96.169 -14.230 -2.096 1.00 8.60 N ATOM 0 H ARG A 141 93.444 -9.160 -3.791 1.00 6.56 H new ATOM 0 HA ARG A 141 90.885 -10.119 -2.777 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.543 -9.279 -1.654 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.139 -9.179 -0.609 1.00 6.20 H new ATOM 0 HG2 ARG A 141 91.940 -11.446 -0.420 1.00 6.87 H new ATOM 0 HG3 ARG A 141 92.395 -11.739 -2.087 1.00 6.87 H new ATOM 0 HD2 ARG A 141 94.694 -10.664 -0.744 1.00 7.11 H new ATOM 0 HD3 ARG A 141 94.026 -11.918 0.282 1.00 7.11 H new ATOM 0 HE ARG A 141 94.250 -12.713 -2.531 1.00 7.57 H new ATOM 0 HH11 ARG A 141 95.890 -12.489 0.596 1.00 8.08 H new ATOM 0 HH12 ARG A 141 97.048 -13.765 0.205 1.00 8.08 H new ATOM 0 HH21 ARG A 141 95.742 -14.346 -3.015 1.00 8.60 H new ATOM 0 HH22 ARG A 141 96.964 -14.809 -1.826 1.00 8.60 H new ATOM 533 N GLN A 142 90.063 -7.927 -1.579 1.00 5.55 N ATOM 534 CA GLN A 142 89.352 -6.682 -1.309 1.00 4.97 C ATOM 535 C GLN A 142 90.329 -5.561 -0.969 1.00 4.20 C ATOM 536 O GLN A 142 90.713 -5.386 0.188 1.00 3.88 O ATOM 537 CB GLN A 142 88.357 -6.878 -0.162 1.00 4.98 C ATOM 538 CG GLN A 142 86.985 -6.290 -0.443 1.00 5.49 C ATOM 539 CD GLN A 142 85.993 -6.567 0.671 1.00 6.00 C ATOM 540 OE1 GLN A 142 86.372 -6.707 1.834 1.00 6.30 O ATOM 541 NE2 GLN A 142 84.715 -6.647 0.321 1.00 6.42 N ATOM 0 H GLN A 142 89.776 -8.712 -0.995 1.00 5.55 H new ATOM 0 HA GLN A 142 88.805 -6.400 -2.209 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.252 -7.944 0.039 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.761 -6.421 0.741 1.00 4.98 H new ATOM 0 HG2 GLN A 142 87.077 -5.213 -0.583 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.602 -6.701 -1.377 1.00 5.49 H new ATOM 0 HE21 GLN A 142 84.445 -6.524 -0.655 1.00 6.42 H new ATOM 0 HE22 GLN A 142 84.003 -6.831 1.028 1.00 6.42 H new ATOM 550 N ALA A 143 90.730 -4.807 -1.987 1.00 4.01 N ATOM 551 CA ALA A 143 91.665 -3.703 -1.800 1.00 3.31 C ATOM 552 C ALA A 143 91.063 -2.610 -0.925 1.00 2.66 C ATOM 553 O ALA A 143 89.873 -2.309 -1.017 1.00 2.78 O ATOM 554 CB ALA A 143 92.080 -3.133 -3.147 1.00 3.47 C ATOM 0 H ALA A 143 90.422 -4.940 -2.950 1.00 4.01 H new ATOM 0 HA ALA A 143 92.547 -4.091 -1.291 1.00 3.31 H new ATOM 0 HB1 ALA A 143 92.778 -2.310 -2.994 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.561 -3.912 -3.739 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.199 -2.768 -3.675 1.00 3.47 H new ATOM 560 N LEU A 144 91.898 -2.019 -0.078 1.00 2.03 N ATOM 561 CA LEU A 144 91.460 -0.954 0.816 1.00 1.43 C ATOM 562 C LEU A 144 91.927 0.405 0.304 1.00 1.04 C ATOM 563 O LEU A 144 93.127 0.666 0.214 1.00 0.81 O ATOM 564 CB LEU A 144 91.999 -1.197 2.225 1.00 1.45 C ATOM 565 CG LEU A 144 91.171 -2.158 3.080 1.00 2.18 C ATOM 566 CD1 LEU A 144 91.900 -2.481 4.377 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.798 -1.569 3.369 1.00 2.25 C ATOM 0 H LEU A 144 92.885 -2.261 0.008 1.00 2.03 H new ATOM 0 HA LEU A 144 90.370 -0.955 0.846 1.00 1.43 H new ATOM 0 HB2 LEU A 144 93.014 -1.587 2.147 1.00 1.45 H new ATOM 0 HB3 LEU A 144 92.065 -0.240 2.742 1.00 1.45 H new ATOM 0 HG LEU A 144 91.035 -3.085 2.523 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.296 -3.166 4.973 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.859 -2.947 4.149 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.067 -1.562 4.939 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.224 -2.267 3.978 1.00 2.25 H new ATOM 0 HD22 LEU A 144 89.912 -0.627 3.906 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.274 -1.390 2.430 1.00 2.25 H new ATOM 579 N ARG A 145 90.974 1.263 -0.045 1.00 1.33 N ATOM 580 CA ARG A 145 91.292 2.588 -0.564 1.00 1.75 C ATOM 581 C ARG A 145 91.054 3.676 0.476 1.00 1.84 C ATOM 582 O ARG A 145 89.922 4.110 0.686 1.00 2.07 O ATOM 583 CB ARG A 145 90.456 2.878 -1.811 1.00 2.50 C ATOM 584 CG ARG A 145 90.691 4.262 -2.397 1.00 3.14 C ATOM 585 CD ARG A 145 89.979 4.435 -3.730 1.00 3.82 C ATOM 586 NE ARG A 145 90.821 5.102 -4.719 1.00 4.39 N ATOM 587 CZ ARG A 145 90.572 5.101 -6.028 1.00 4.96 C ATOM 588 NH1 ARG A 145 89.506 4.472 -6.505 1.00 5.14 N ATOM 589 NH2 ARG A 145 91.391 5.731 -6.859 1.00 5.67 N ATOM 0 H ARG A 145 89.976 1.065 0.022 1.00 1.33 H new ATOM 0 HA ARG A 145 92.351 2.594 -0.820 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.680 2.129 -2.570 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.400 2.773 -1.562 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.340 5.019 -1.696 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.760 4.424 -2.532 1.00 3.14 H new ATOM 0 HD2 ARG A 145 89.679 3.458 -4.110 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.067 5.013 -3.581 1.00 3.82 H new ATOM 0 HE ARG A 145 91.649 5.598 -4.388 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.873 3.987 -5.869 1.00 5.14 H new ATOM 0 HH12 ARG A 145 89.319 4.474 -7.508 1.00 5.14 H new ATOM 0 HH21 ARG A 145 92.212 6.216 -6.496 1.00 5.67 H new ATOM 0 HH22 ARG A 145 91.201 5.730 -7.861 1.00 5.67 H new ATOM 603 N CYS A 146 92.125 4.127 1.115 1.00 1.92 N ATOM 604 CA CYS A 146 92.015 5.177 2.116 1.00 2.46 C ATOM 605 C CYS A 146 91.961 6.540 1.431 1.00 3.20 C ATOM 606 O CYS A 146 92.965 7.248 1.347 1.00 3.63 O ATOM 607 CB CYS A 146 93.191 5.106 3.097 1.00 2.60 C ATOM 608 SG CYS A 146 93.421 6.592 4.132 1.00 3.57 S ATOM 0 H CYS A 146 93.073 3.785 0.959 1.00 1.92 H new ATOM 0 HA CYS A 146 91.095 5.035 2.682 1.00 2.46 H new ATOM 0 HB2 CYS A 146 93.049 4.245 3.750 1.00 2.60 H new ATOM 0 HB3 CYS A 146 94.106 4.930 2.532 1.00 2.60 H new ATOM 613 N ALA A 147 90.780 6.894 0.936 1.00 3.42 N ATOM 614 CA ALA A 147 90.582 8.165 0.247 1.00 4.19 C ATOM 615 C ALA A 147 90.906 9.360 1.145 1.00 4.75 C ATOM 616 O ALA A 147 90.955 10.497 0.676 1.00 5.41 O ATOM 617 CB ALA A 147 89.153 8.266 -0.264 1.00 4.35 C ATOM 0 H ALA A 147 89.942 6.316 0.999 1.00 3.42 H new ATOM 0 HA ALA A 147 91.272 8.192 -0.596 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.016 9.218 -0.776 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.956 7.449 -0.958 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.461 8.203 0.576 1.00 4.35 H new ATOM 623 N ASN A 148 91.129 9.104 2.431 1.00 4.58 N ATOM 624 CA ASN A 148 91.449 10.169 3.372 1.00 5.23 C ATOM 625 C ASN A 148 92.826 10.766 3.085 1.00 5.62 C ATOM 626 O ASN A 148 93.111 11.894 3.487 1.00 6.29 O ATOM 627 CB ASN A 148 91.389 9.646 4.810 1.00 5.11 C ATOM 628 CG ASN A 148 90.224 10.226 5.587 1.00 5.34 C ATOM 629 OD1 ASN A 148 89.928 11.417 5.491 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.553 9.383 6.365 1.00 5.41 N ATOM 0 H ASN A 148 91.094 8.171 2.843 1.00 4.58 H new ATOM 0 HA ASN A 148 90.706 10.957 3.250 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.308 8.559 4.795 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.320 9.889 5.321 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.759 9.716 6.912 1.00 5.41 H new ATOM 0 HD22 ASN A 148 89.832 8.403 6.415 1.00 5.41 H new ATOM 637 N CYS A 149 93.680 10.014 2.393 1.00 5.21 N ATOM 638 CA CYS A 149 95.017 10.501 2.071 1.00 5.54 C ATOM 639 C CYS A 149 95.777 9.517 1.187 1.00 5.02 C ATOM 640 O CYS A 149 96.464 9.919 0.247 1.00 5.26 O ATOM 641 CB CYS A 149 95.807 10.759 3.355 1.00 5.86 C ATOM 642 SG CYS A 149 96.132 9.258 4.337 1.00 5.35 S ATOM 0 H CYS A 149 93.472 9.077 2.049 1.00 5.21 H new ATOM 0 HA CYS A 149 94.904 11.433 1.518 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.758 11.226 3.097 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.258 11.472 3.970 1.00 5.86 H new ATOM 647 N LYS A 150 95.657 8.232 1.495 1.00 4.33 N ATOM 648 CA LYS A 150 96.344 7.200 0.728 1.00 3.79 C ATOM 649 C LYS A 150 95.536 6.807 -0.514 1.00 3.60 C ATOM 650 O LYS A 150 94.934 7.662 -1.162 1.00 4.14 O ATOM 651 CB LYS A 150 96.618 5.980 1.613 1.00 3.18 C ATOM 652 CG LYS A 150 97.144 6.335 2.994 1.00 3.63 C ATOM 653 CD LYS A 150 98.331 5.466 3.384 1.00 3.46 C ATOM 654 CE LYS A 150 99.629 6.256 3.376 1.00 3.65 C ATOM 655 NZ LYS A 150 100.133 6.483 1.993 1.00 3.87 N ATOM 0 H LYS A 150 95.092 7.880 2.268 1.00 4.33 H new ATOM 0 HA LYS A 150 97.298 7.601 0.386 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.698 5.406 1.721 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.340 5.334 1.113 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.439 7.384 3.012 1.00 3.63 H new ATOM 0 HG3 LYS A 150 96.348 6.215 3.729 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.165 5.047 4.377 1.00 3.46 H new ATOM 0 HD3 LYS A 150 98.411 4.627 2.693 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.472 7.216 3.867 1.00 3.65 H new ATOM 0 HE3 LYS A 150 100.383 5.721 3.954 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 101.020 7.025 2.031 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.307 5.567 1.532 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.425 7.016 1.448 1.00 3.87 H new ATOM 669 N PHE A 151 95.538 5.518 -0.850 1.00 2.95 N ATOM 670 CA PHE A 151 94.817 5.029 -2.020 1.00 2.98 C ATOM 671 C PHE A 151 94.433 3.557 -1.845 1.00 2.28 C ATOM 672 O PHE A 151 94.495 3.024 -0.735 1.00 1.66 O ATOM 673 CB PHE A 151 95.680 5.211 -3.276 1.00 3.44 C ATOM 674 CG PHE A 151 97.157 5.076 -3.025 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.638 4.110 -2.154 1.00 3.47 C ATOM 676 CD2 PHE A 151 98.062 5.915 -3.656 1.00 3.36 C ATOM 677 CE1 PHE A 151 98.994 3.983 -1.920 1.00 3.41 C ATOM 678 CE2 PHE A 151 99.419 5.792 -3.425 1.00 3.26 C ATOM 679 CZ PHE A 151 99.885 4.824 -2.555 1.00 3.10 C ATOM 0 H PHE A 151 96.032 4.795 -0.327 1.00 2.95 H new ATOM 0 HA PHE A 151 93.900 5.607 -2.132 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.379 4.475 -4.021 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.482 6.195 -3.702 1.00 3.44 H new ATOM 0 HD1 PHE A 151 96.945 3.450 -1.653 1.00 3.47 H new ATOM 0 HD2 PHE A 151 97.703 6.673 -4.336 1.00 3.36 H new ATOM 0 HE1 PHE A 151 99.356 3.226 -1.240 1.00 3.41 H new ATOM 0 HE2 PHE A 151 100.114 6.451 -3.923 1.00 3.26 H new ATOM 0 HZ PHE A 151 100.945 4.726 -2.373 1.00 3.10 H new ATOM 689 N THR A 152 94.033 2.907 -2.939 1.00 2.56 N ATOM 690 CA THR A 152 93.639 1.504 -2.895 1.00 2.30 C ATOM 691 C THR A 152 94.857 0.592 -2.776 1.00 2.04 C ATOM 692 O THR A 152 95.531 0.308 -3.765 1.00 2.50 O ATOM 693 CB THR A 152 92.844 1.140 -4.151 1.00 3.04 C ATOM 694 OG1 THR A 152 92.247 2.292 -4.719 1.00 3.69 O ATOM 695 CG2 THR A 152 91.746 0.132 -3.894 1.00 3.48 C ATOM 0 H THR A 152 93.974 3.332 -3.864 1.00 2.56 H new ATOM 0 HA THR A 152 93.014 1.359 -2.014 1.00 2.30 H new ATOM 0 HB THR A 152 93.570 0.695 -4.832 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.745 2.038 -5.522 1.00 3.69 H new ATOM 0 HG21 THR A 152 91.222 -0.081 -4.826 1.00 3.48 H new ATOM 0 HG22 THR A 152 92.181 -0.788 -3.503 1.00 3.48 H new ATOM 0 HG23 THR A 152 91.042 0.538 -3.167 1.00 3.48 H new ATOM 703 N CYS A 153 95.135 0.142 -1.557 1.00 1.38 N ATOM 704 CA CYS A 153 96.275 -0.731 -1.306 1.00 1.29 C ATOM 705 C CYS A 153 95.835 -2.186 -1.175 1.00 1.85 C ATOM 706 O CYS A 153 94.646 -2.478 -1.049 1.00 2.08 O ATOM 707 CB CYS A 153 96.998 -0.298 -0.029 1.00 0.64 C ATOM 708 SG CYS A 153 97.529 1.430 -0.029 1.00 1.36 S ATOM 0 H CYS A 153 94.586 0.368 -0.727 1.00 1.38 H new ATOM 0 HA CYS A 153 96.954 -0.650 -2.155 1.00 1.29 H new ATOM 0 HB2 CYS A 153 96.338 -0.464 0.823 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.871 -0.935 0.115 1.00 0.64 H new ATOM 0 HG CYS A 153 97.841 1.788 -1.239 1.00 1.36 H new ATOM 714 N HIS A 154 96.807 -3.092 -1.193 1.00 2.20 N ATOM 715 CA HIS A 154 96.531 -4.517 -1.064 1.00 2.94 C ATOM 716 C HIS A 154 95.976 -4.826 0.323 1.00 3.04 C ATOM 717 O HIS A 154 96.247 -4.102 1.284 1.00 2.70 O ATOM 718 CB HIS A 154 97.808 -5.329 -1.299 1.00 3.32 C ATOM 719 CG HIS A 154 98.025 -5.730 -2.724 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.188 -5.411 -3.384 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.218 -6.429 -3.558 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.066 -5.921 -4.595 1.00 4.13 C ATOM 723 NE2 HIS A 154 97.889 -6.545 -4.750 1.00 4.64 N ATOM 0 H HIS A 154 97.796 -2.863 -1.296 1.00 2.20 H new ATOM 0 HA HIS A 154 95.790 -4.793 -1.814 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.664 -4.744 -0.963 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.773 -6.227 -0.682 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.237 -6.819 -3.329 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.820 -5.845 -5.365 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.556 -7.015 -5.592 1.00 4.64 H new ATOM 731 N SER A 155 95.202 -5.899 0.426 1.00 3.67 N ATOM 732 CA SER A 155 94.613 -6.298 1.699 1.00 3.98 C ATOM 733 C SER A 155 95.681 -6.426 2.783 1.00 4.20 C ATOM 734 O SER A 155 95.662 -5.697 3.774 1.00 4.08 O ATOM 735 CB SER A 155 93.864 -7.624 1.547 1.00 4.76 C ATOM 736 OG SER A 155 93.444 -8.120 2.805 1.00 5.02 O ATOM 0 H SER A 155 94.967 -6.509 -0.357 1.00 3.67 H new ATOM 0 HA SER A 155 93.909 -5.522 2.000 1.00 3.98 H new ATOM 0 HB2 SER A 155 92.998 -7.484 0.900 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.509 -8.356 1.061 1.00 4.76 H new ATOM 0 HG SER A 155 92.967 -8.967 2.680 1.00 5.02 H new ATOM 742 N GLU A 156 96.606 -7.360 2.587 1.00 4.69 N ATOM 743 CA GLU A 156 97.679 -7.590 3.549 1.00 5.06 C ATOM 744 C GLU A 156 98.641 -6.403 3.621 1.00 4.46 C ATOM 745 O GLU A 156 99.465 -6.323 4.532 1.00 4.76 O ATOM 746 CB GLU A 156 98.451 -8.860 3.183 1.00 5.69 C ATOM 747 CG GLU A 156 97.620 -10.128 3.287 1.00 6.28 C ATOM 748 CD GLU A 156 98.471 -11.382 3.294 1.00 6.92 C ATOM 749 OE1 GLU A 156 98.896 -11.805 4.390 1.00 7.31 O ATOM 750 OE2 GLU A 156 98.713 -11.943 2.204 1.00 7.29 O ATOM 0 H GLU A 156 96.635 -7.970 1.770 1.00 4.69 H new ATOM 0 HA GLU A 156 97.220 -7.710 4.530 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.828 -8.765 2.165 1.00 5.69 H new ATOM 0 HB3 GLU A 156 99.318 -8.949 3.837 1.00 5.69 H new ATOM 0 HG2 GLU A 156 97.023 -10.093 4.198 1.00 6.28 H new ATOM 0 HG3 GLU A 156 96.923 -10.171 2.450 1.00 6.28 H new ATOM 757 N CYS A 157 98.541 -5.487 2.662 1.00 3.72 N ATOM 758 CA CYS A 157 99.414 -4.318 2.637 1.00 3.15 C ATOM 759 C CYS A 157 98.940 -3.254 3.622 1.00 3.01 C ATOM 760 O CYS A 157 99.742 -2.472 4.135 1.00 3.02 O ATOM 761 CB CYS A 157 99.482 -3.730 1.226 1.00 2.51 C ATOM 762 SG CYS A 157 100.919 -4.295 0.253 1.00 2.62 S ATOM 0 H CYS A 157 97.868 -5.531 1.896 1.00 3.72 H new ATOM 0 HA CYS A 157 100.411 -4.642 2.936 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.569 -3.991 0.691 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.510 -2.643 1.298 1.00 2.51 H new ATOM 767 N ARG A 158 97.637 -3.223 3.883 1.00 3.04 N ATOM 768 CA ARG A 158 97.075 -2.245 4.808 1.00 3.06 C ATOM 769 C ARG A 158 97.661 -2.419 6.207 1.00 3.76 C ATOM 770 O ARG A 158 97.940 -1.439 6.899 1.00 3.88 O ATOM 771 CB ARG A 158 95.547 -2.362 4.850 1.00 3.18 C ATOM 772 CG ARG A 158 95.038 -3.604 5.566 1.00 3.57 C ATOM 773 CD ARG A 158 94.698 -3.309 7.019 1.00 4.14 C ATOM 774 NE ARG A 158 93.600 -2.353 7.140 1.00 4.64 N ATOM 775 CZ ARG A 158 92.949 -2.111 8.276 1.00 5.27 C ATOM 776 NH1 ARG A 158 93.284 -2.752 9.389 1.00 5.53 N ATOM 777 NH2 ARG A 158 91.961 -1.227 8.298 1.00 5.95 N ATOM 0 H ARG A 158 96.955 -3.859 3.470 1.00 3.04 H new ATOM 0 HA ARG A 158 97.338 -1.250 4.450 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.139 -1.479 5.342 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.165 -2.362 3.829 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.154 -3.984 5.054 1.00 3.57 H new ATOM 0 HG3 ARG A 158 95.794 -4.388 5.520 1.00 3.57 H new ATOM 0 HD2 ARG A 158 94.429 -4.237 7.524 1.00 4.14 H new ATOM 0 HD3 ARG A 158 95.579 -2.915 7.525 1.00 4.14 H new ATOM 0 HE ARG A 158 93.315 -1.841 6.305 1.00 4.64 H new ATOM 0 HH11 ARG A 158 94.043 -3.433 9.376 1.00 5.53 H new ATOM 0 HH12 ARG A 158 92.782 -2.563 10.257 1.00 5.53 H new ATOM 0 HH21 ARG A 158 91.700 -0.733 7.445 1.00 5.95 H new ATOM 0 HH22 ARG A 158 91.462 -1.041 9.168 1.00 5.95 H new ATOM 791 N SER A 159 97.855 -3.669 6.615 1.00 4.35 N ATOM 792 CA SER A 159 98.413 -3.965 7.930 1.00 5.07 C ATOM 793 C SER A 159 99.909 -3.656 7.976 1.00 5.04 C ATOM 794 O SER A 159 100.522 -3.684 9.043 1.00 5.56 O ATOM 795 CB SER A 159 98.174 -5.432 8.289 1.00 5.71 C ATOM 796 OG SER A 159 96.907 -5.607 8.897 1.00 6.02 O ATOM 0 H SER A 159 97.634 -4.492 6.055 1.00 4.35 H new ATOM 0 HA SER A 159 97.909 -3.330 8.659 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.237 -6.045 7.390 1.00 5.71 H new ATOM 0 HB3 SER A 159 98.956 -5.776 8.965 1.00 5.71 H new ATOM 0 HG SER A 159 96.777 -6.553 9.116 1.00 6.02 H new ATOM 802 N LEU A 160 100.492 -3.362 6.816 1.00 4.50 N ATOM 803 CA LEU A 160 101.915 -3.051 6.734 1.00 4.49 C ATOM 804 C LEU A 160 102.156 -1.542 6.691 1.00 4.25 C ATOM 805 O LEU A 160 103.293 -1.090 6.819 1.00 4.39 O ATOM 806 CB LEU A 160 102.528 -3.711 5.497 1.00 4.13 C ATOM 807 CG LEU A 160 103.008 -5.149 5.701 1.00 4.38 C ATOM 808 CD1 LEU A 160 104.217 -5.183 6.623 1.00 4.84 C ATOM 809 CD2 LEU A 160 101.885 -6.010 6.259 1.00 4.59 C ATOM 0 H LEU A 160 100.001 -3.333 5.922 1.00 4.50 H new ATOM 0 HA LEU A 160 102.394 -3.445 7.630 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.790 -3.701 4.695 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.371 -3.107 5.162 1.00 4.13 H new ATOM 0 HG LEU A 160 103.304 -5.554 4.733 1.00 4.38 H new ATOM 0 HD11 LEU A 160 104.544 -6.214 6.756 1.00 4.84 H new ATOM 0 HD12 LEU A 160 105.026 -4.600 6.184 1.00 4.84 H new ATOM 0 HD13 LEU A 160 103.948 -4.760 7.591 1.00 4.84 H new ATOM 0 HD21 LEU A 160 102.243 -7.030 6.398 1.00 4.59 H new ATOM 0 HD22 LEU A 160 101.559 -5.606 7.217 1.00 4.59 H new ATOM 0 HD23 LEU A 160 101.047 -6.012 5.562 1.00 4.59 H new ATOM 821 N ILE A 161 101.089 -0.765 6.514 1.00 4.04 N ATOM 822 CA ILE A 161 101.212 0.687 6.460 1.00 4.02 C ATOM 823 C ILE A 161 100.653 1.332 7.726 1.00 4.66 C ATOM 824 O ILE A 161 99.458 1.239 8.007 1.00 4.65 O ATOM 825 CB ILE A 161 100.500 1.275 5.222 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.734 2.784 5.139 1.00 2.89 C ATOM 827 CG2 ILE A 161 99.011 0.965 5.257 1.00 3.55 C ATOM 828 CD1 ILE A 161 100.939 3.289 3.728 1.00 2.37 C ATOM 0 H ILE A 161 100.137 -1.115 6.406 1.00 4.04 H new ATOM 0 HA ILE A 161 102.276 0.912 6.385 1.00 4.02 H new ATOM 0 HB ILE A 161 100.922 0.810 4.331 1.00 3.40 H new ATOM 0 HG12 ILE A 161 99.881 3.300 5.580 1.00 2.89 H new ATOM 0 HG13 ILE A 161 101.607 3.041 5.738 1.00 2.89 H new ATOM 0 HG21 ILE A 161 98.530 1.389 4.375 1.00 3.55 H new ATOM 0 HG22 ILE A 161 98.864 -0.115 5.266 1.00 3.55 H new ATOM 0 HG23 ILE A 161 98.570 1.399 6.155 1.00 3.55 H new ATOM 0 HD11 ILE A 161 101.099 4.367 3.747 1.00 2.37 H new ATOM 0 HD12 ILE A 161 101.809 2.801 3.290 1.00 2.37 H new ATOM 0 HD13 ILE A 161 100.057 3.064 3.129 1.00 2.37 H new ATOM 840 N GLN A 162 101.529 1.982 8.485 1.00 5.30 N ATOM 841 CA GLN A 162 101.129 2.641 9.724 1.00 6.01 C ATOM 842 C GLN A 162 101.030 4.154 9.542 1.00 6.16 C ATOM 843 O GLN A 162 100.529 4.859 10.420 1.00 6.76 O ATOM 844 CB GLN A 162 102.126 2.317 10.839 1.00 6.80 C ATOM 845 CG GLN A 162 102.508 0.847 10.908 1.00 6.97 C ATOM 846 CD GLN A 162 102.016 0.174 12.174 1.00 7.56 C ATOM 847 OE1 GLN A 162 101.915 0.804 13.227 1.00 8.05 O ATOM 848 NE2 GLN A 162 101.707 -1.114 12.079 1.00 7.77 N ATOM 0 H GLN A 162 102.521 2.067 8.264 1.00 5.30 H new ATOM 0 HA GLN A 162 100.143 2.266 9.999 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.028 2.911 10.692 1.00 6.80 H new ATOM 0 HB3 GLN A 162 101.698 2.618 11.796 1.00 6.80 H new ATOM 0 HG2 GLN A 162 102.097 0.328 10.042 1.00 6.97 H new ATOM 0 HG3 GLN A 162 103.593 0.754 10.850 1.00 6.97 H new ATOM 0 HE21 GLN A 162 101.806 -1.598 11.186 1.00 7.77 H new ATOM 0 HE22 GLN A 162 101.371 -1.620 12.899 1.00 7.77 H new ATOM 857 N LEU A 163 101.508 4.653 8.404 1.00 5.80 N ATOM 858 CA LEU A 163 101.469 6.086 8.119 1.00 6.11 C ATOM 859 C LEU A 163 100.066 6.648 8.324 1.00 6.27 C ATOM 860 O LEU A 163 99.198 6.511 7.462 1.00 6.00 O ATOM 861 CB LEU A 163 101.933 6.352 6.685 1.00 5.81 C ATOM 862 CG LEU A 163 103.398 6.014 6.406 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.561 5.465 4.997 1.00 6.32 C ATOM 864 CD2 LEU A 163 104.273 7.243 6.605 1.00 6.57 C ATOM 0 H LEU A 163 101.926 4.088 7.665 1.00 5.80 H new ATOM 0 HA LEU A 163 102.143 6.587 8.814 1.00 6.11 H new ATOM 0 HB2 LEU A 163 101.307 5.776 6.004 1.00 5.81 H new ATOM 0 HB3 LEU A 163 101.769 7.405 6.455 1.00 5.81 H new ATOM 0 HG LEU A 163 103.715 5.246 7.111 1.00 6.22 H new ATOM 0 HD11 LEU A 163 104.610 5.230 4.817 1.00 6.32 H new ATOM 0 HD12 LEU A 163 102.963 4.560 4.888 1.00 6.32 H new ATOM 0 HD13 LEU A 163 103.227 6.210 4.275 1.00 6.32 H new ATOM 0 HD21 LEU A 163 105.313 6.986 6.403 1.00 6.57 H new ATOM 0 HD22 LEU A 163 103.954 8.031 5.922 1.00 6.57 H new ATOM 0 HD23 LEU A 163 104.179 7.594 7.633 1.00 6.57 H new ATOM 876 N ASP A 164 99.851 7.282 9.474 1.00 6.82 N ATOM 877 CA ASP A 164 98.553 7.866 9.796 1.00 7.11 C ATOM 878 C ASP A 164 98.128 8.876 8.734 1.00 6.85 C ATOM 879 O ASP A 164 98.915 9.243 7.863 1.00 6.80 O ATOM 880 CB ASP A 164 98.601 8.540 11.168 1.00 7.92 C ATOM 881 CG ASP A 164 98.489 7.546 12.306 1.00 8.46 C ATOM 882 OD1 ASP A 164 99.340 6.635 12.384 1.00 8.71 O ATOM 883 OD2 ASP A 164 97.551 7.677 13.120 1.00 8.87 O ATOM 0 H ASP A 164 100.559 7.404 10.198 1.00 6.82 H new ATOM 0 HA ASP A 164 97.818 7.062 9.818 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.534 9.094 11.265 1.00 7.92 H new ATOM 0 HB3 ASP A 164 97.790 9.265 11.242 1.00 7.92 H new ATOM 888 N CYS A 165 96.876 9.318 8.815 1.00 6.77 N ATOM 889 CA CYS A 165 96.345 10.285 7.860 1.00 6.61 C ATOM 890 C CYS A 165 97.162 11.572 7.877 1.00 7.27 C ATOM 891 O CYS A 165 97.084 12.358 8.822 1.00 7.79 O ATOM 892 CB CYS A 165 94.879 10.592 8.171 1.00 6.46 C ATOM 893 SG CYS A 165 93.730 9.234 7.769 1.00 5.92 S ATOM 0 H CYS A 165 96.212 9.023 9.531 1.00 6.77 H new ATOM 0 HA CYS A 165 96.412 9.847 6.864 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.786 10.830 9.231 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.580 11.482 7.617 1.00 6.46 H new ATOM 898 N ARG A 166 97.947 11.782 6.825 1.00 7.27 N ATOM 899 CA ARG A 166 98.780 12.975 6.718 1.00 7.93 C ATOM 900 C ARG A 166 97.928 14.210 6.450 1.00 8.10 C ATOM 901 O ARG A 166 98.069 15.223 7.133 1.00 0.00 O ATOM 902 CB ARG A 166 99.813 12.802 5.605 1.00 7.96 C ATOM 903 CG ARG A 166 99.200 12.661 4.220 1.00 7.80 C ATOM 904 CD ARG A 166 100.080 11.828 3.301 1.00 8.18 C ATOM 905 NE ARG A 166 100.646 12.626 2.214 1.00 8.38 N ATOM 906 CZ ARG A 166 101.137 12.107 1.091 1.00 8.69 C ATOM 907 NH1 ARG A 166 101.139 10.794 0.903 1.00 8.85 N ATOM 908 NH2 ARG A 166 101.632 12.905 0.155 1.00 9.07 N ATOM 0 H ARG A 166 98.024 11.142 6.035 1.00 7.27 H new ATOM 0 HA ARG A 166 99.299 13.113 7.667 1.00 7.93 H new ATOM 0 HB2 ARG A 166 100.486 13.659 5.609 1.00 7.96 H new ATOM 0 HB3 ARG A 166 100.418 11.920 5.817 1.00 7.96 H new ATOM 0 HG2 ARG A 166 98.217 12.197 4.302 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.051 13.649 3.785 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.887 11.380 3.880 1.00 8.18 H new ATOM 0 HD3 ARG A 166 99.495 11.009 2.883 1.00 8.18 H new ATOM 0 HE ARG A 166 100.666 13.640 2.323 1.00 8.38 H new ATOM 0 HH11 ARG A 166 100.763 10.175 1.621 1.00 8.85 H new ATOM 0 HH12 ARG A 166 101.517 10.403 0.040 1.00 8.85 H new ATOM 0 HH21 ARG A 166 101.636 13.915 0.296 1.00 9.07 H new ATOM 0 HH22 ARG A 166 102.009 12.509 -0.706 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.424 -4.182 -1.993 1.00 2.57 ZN HETATM 924 ZN ZN A 2 94.365 8.240 5.791 1.00 4.87 ZN