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 X(o=0,f=0) USER MOD Single : A 148 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.16) USER MOD Single : A 150 LYS NZ :NH3+ -163:sc= -0.706 (180deg=-1.29) USER MOD Single : A 152 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 153 CYS SG : rot -41:sc= -0.0131 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= -0.0123 X(o=-0.012,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 71.346 3.648 7.053 1.00 10.33 N ATOM 2 CA PRO A 108 72.385 2.954 7.863 1.00 9.87 C ATOM 3 C PRO A 108 73.412 3.934 8.429 1.00 9.14 C ATOM 4 O PRO A 108 73.946 4.774 7.707 1.00 9.03 O ATOM 5 CB PRO A 108 73.067 1.931 6.959 1.00 10.34 C ATOM 6 CG PRO A 108 72.517 2.215 5.601 1.00 11.01 C ATOM 7 CD PRO A 108 71.173 2.868 5.815 1.00 10.96 C ATOM 0 HA PRO A 108 71.915 2.467 8.717 1.00 9.87 H new ATOM 0 HB2 PRO A 108 74.151 2.041 6.980 1.00 10.34 H new ATOM 0 HB3 PRO A 108 72.844 0.911 7.273 1.00 10.34 H new ATOM 0 HG2 PRO A 108 73.183 2.871 5.041 1.00 11.01 H new ATOM 0 HG3 PRO A 108 72.415 1.296 5.023 1.00 11.01 H new ATOM 0 HD2 PRO A 108 70.902 3.508 4.975 1.00 10.96 H new ATOM 0 HD3 PRO A 108 70.381 2.126 5.919 1.00 10.96 H new ATOM 17 N ARG A 109 73.682 3.817 9.726 1.00 8.91 N ATOM 18 CA ARG A 109 74.645 4.691 10.386 1.00 8.49 C ATOM 19 C ARG A 109 76.072 4.304 10.018 1.00 7.86 C ATOM 20 O ARG A 109 76.871 5.151 9.619 1.00 7.78 O ATOM 21 CB ARG A 109 74.460 4.634 11.904 1.00 8.84 C ATOM 22 CG ARG A 109 75.060 5.823 12.636 1.00 9.50 C ATOM 23 CD ARG A 109 74.023 6.905 12.894 1.00 10.20 C ATOM 24 NE ARG A 109 73.214 7.190 11.708 1.00 10.78 N ATOM 25 CZ ARG A 109 72.776 8.403 11.378 1.00 11.32 C ATOM 26 NH1 ARG A 109 73.045 9.452 12.146 1.00 11.37 N ATOM 27 NH2 ARG A 109 72.057 8.568 10.276 1.00 12.00 N ATOM 0 H ARG A 109 73.248 3.127 10.339 1.00 8.91 H new ATOM 0 HA ARG A 109 74.467 5.711 10.045 1.00 8.49 H new ATOM 0 HB2 ARG A 109 73.395 4.579 12.130 1.00 8.84 H new ATOM 0 HB3 ARG A 109 74.914 3.718 12.283 1.00 8.84 H new ATOM 0 HG2 ARG A 109 75.483 5.491 13.584 1.00 9.50 H new ATOM 0 HG3 ARG A 109 75.879 6.237 12.048 1.00 9.50 H new ATOM 0 HD2 ARG A 109 73.371 6.594 13.710 1.00 10.20 H new ATOM 0 HD3 ARG A 109 74.525 7.817 13.217 1.00 10.20 H new ATOM 0 HE ARG A 109 72.971 6.411 11.096 1.00 10.78 H new ATOM 0 HH11 ARG A 109 73.592 9.333 12.998 1.00 11.37 H new ATOM 0 HH12 ARG A 109 72.704 10.377 11.884 1.00 11.37 H new ATOM 0 HH21 ARG A 109 71.841 7.766 9.683 1.00 12.00 H new ATOM 0 HH22 ARG A 109 71.720 9.496 10.021 1.00 12.00 H new ATOM 41 N VAL A 110 76.386 3.020 10.152 1.00 7.68 N ATOM 42 CA VAL A 110 77.717 2.523 9.831 1.00 7.34 C ATOM 43 C VAL A 110 77.904 2.399 8.321 1.00 6.54 C ATOM 44 O VAL A 110 78.084 1.301 7.793 1.00 6.26 O ATOM 45 CB VAL A 110 77.982 1.154 10.490 1.00 7.82 C ATOM 46 CG1 VAL A 110 79.428 0.728 10.277 1.00 8.21 C ATOM 47 CG2 VAL A 110 77.646 1.199 11.972 1.00 8.46 C ATOM 0 H VAL A 110 75.737 2.305 10.481 1.00 7.68 H new ATOM 0 HA VAL A 110 78.431 3.246 10.225 1.00 7.34 H new ATOM 0 HB VAL A 110 77.336 0.414 10.017 1.00 7.82 H new ATOM 0 HG11 VAL A 110 79.595 -0.240 10.749 1.00 8.21 H new ATOM 0 HG12 VAL A 110 79.631 0.651 9.209 1.00 8.21 H new ATOM 0 HG13 VAL A 110 80.094 1.468 10.720 1.00 8.21 H new ATOM 0 HG21 VAL A 110 77.840 0.224 12.419 1.00 8.46 H new ATOM 0 HG22 VAL A 110 78.263 1.952 12.462 1.00 8.46 H new ATOM 0 HG23 VAL A 110 76.594 1.454 12.099 1.00 8.46 H new ATOM 57 N LEU A 111 77.855 3.534 7.631 1.00 6.49 N ATOM 58 CA LEU A 111 78.018 3.554 6.182 1.00 6.05 C ATOM 59 C LEU A 111 79.431 3.138 5.786 1.00 5.68 C ATOM 60 O LEU A 111 79.631 2.089 5.174 1.00 6.10 O ATOM 61 CB LEU A 111 77.711 4.950 5.634 1.00 6.60 C ATOM 62 CG LEU A 111 77.492 5.018 4.121 1.00 6.95 C ATOM 63 CD1 LEU A 111 76.008 4.968 3.795 1.00 7.53 C ATOM 64 CD2 LEU A 111 78.123 6.278 3.548 1.00 7.37 C ATOM 0 H LEU A 111 77.704 4.451 8.052 1.00 6.49 H new ATOM 0 HA LEU A 111 77.316 2.839 5.752 1.00 6.05 H new ATOM 0 HB2 LEU A 111 76.820 5.331 6.132 1.00 6.60 H new ATOM 0 HB3 LEU A 111 78.533 5.616 5.897 1.00 6.60 H new ATOM 0 HG LEU A 111 77.973 4.154 3.663 1.00 6.95 H new ATOM 0 HD11 LEU A 111 75.871 5.017 2.715 1.00 7.53 H new ATOM 0 HD12 LEU A 111 75.584 4.038 4.172 1.00 7.53 H new ATOM 0 HD13 LEU A 111 75.504 5.813 4.264 1.00 7.53 H new ATOM 0 HD21 LEU A 111 77.958 6.310 2.471 1.00 7.37 H new ATOM 0 HD22 LEU A 111 77.670 7.155 4.011 1.00 7.37 H new ATOM 0 HD23 LEU A 111 79.194 6.273 3.751 1.00 7.37 H new ATOM 76 N ALA A 112 80.409 3.967 6.140 1.00 5.15 N ATOM 77 CA ALA A 112 81.802 3.685 5.822 1.00 4.90 C ATOM 78 C ALA A 112 82.642 3.571 7.089 1.00 5.28 C ATOM 79 O ALA A 112 82.682 4.491 7.905 1.00 5.66 O ATOM 80 CB ALA A 112 82.364 4.767 4.910 1.00 4.47 C ATOM 0 H ALA A 112 80.261 4.839 6.647 1.00 5.15 H new ATOM 0 HA ALA A 112 81.844 2.728 5.302 1.00 4.90 H new ATOM 0 HB1 ALA A 112 83.406 4.544 4.680 1.00 4.47 H new ATOM 0 HB2 ALA A 112 81.787 4.799 3.986 1.00 4.47 H new ATOM 0 HB3 ALA A 112 82.302 5.733 5.411 1.00 4.47 H new ATOM 86 N GLU A 113 83.314 2.435 7.248 1.00 5.43 N ATOM 87 CA GLU A 113 84.154 2.201 8.417 1.00 5.94 C ATOM 88 C GLU A 113 85.320 3.183 8.453 1.00 6.10 C ATOM 89 O GLU A 113 86.432 2.856 8.034 1.00 6.17 O ATOM 90 CB GLU A 113 84.681 0.765 8.414 1.00 6.32 C ATOM 91 CG GLU A 113 83.597 -0.281 8.201 1.00 6.89 C ATOM 92 CD GLU A 113 83.648 -1.392 9.232 1.00 7.44 C ATOM 93 OE1 GLU A 113 83.173 -1.174 10.365 1.00 7.69 O ATOM 94 OE2 GLU A 113 84.165 -2.481 8.903 1.00 7.92 O ATOM 0 H GLU A 113 83.293 1.663 6.582 1.00 5.43 H new ATOM 0 HA GLU A 113 83.545 2.354 9.308 1.00 5.94 H new ATOM 0 HB2 GLU A 113 85.431 0.664 7.630 1.00 6.32 H new ATOM 0 HB3 GLU A 113 85.182 0.569 9.362 1.00 6.32 H new ATOM 0 HG2 GLU A 113 82.620 0.201 8.239 1.00 6.89 H new ATOM 0 HG3 GLU A 113 83.702 -0.710 7.204 1.00 6.89 H new ATOM 101 N ARG A 114 85.060 4.385 8.955 1.00 6.45 N ATOM 102 CA ARG A 114 86.089 5.414 9.046 1.00 6.82 C ATOM 103 C ARG A 114 87.127 5.057 10.105 1.00 6.52 C ATOM 104 O ARG A 114 88.325 5.014 9.825 1.00 6.48 O ATOM 105 CB ARG A 114 85.457 6.769 9.373 1.00 7.39 C ATOM 106 CG ARG A 114 86.246 7.953 8.841 1.00 8.23 C ATOM 107 CD ARG A 114 85.913 9.229 9.598 1.00 8.84 C ATOM 108 NE ARG A 114 87.088 10.080 9.777 1.00 9.52 N ATOM 109 CZ ARG A 114 87.052 11.282 10.352 1.00 10.11 C ATOM 110 NH1 ARG A 114 85.904 11.776 10.803 1.00 10.12 N ATOM 111 NH2 ARG A 114 88.165 11.992 10.475 1.00 10.88 N ATOM 0 H ARG A 114 84.146 4.671 9.305 1.00 6.45 H new ATOM 0 HA ARG A 114 86.590 5.476 8.080 1.00 6.82 H new ATOM 0 HB2 ARG A 114 84.449 6.800 8.959 1.00 7.39 H new ATOM 0 HB3 ARG A 114 85.361 6.864 10.455 1.00 7.39 H new ATOM 0 HG2 ARG A 114 87.313 7.747 8.924 1.00 8.23 H new ATOM 0 HG3 ARG A 114 86.029 8.090 7.782 1.00 8.23 H new ATOM 0 HD2 ARG A 114 85.144 9.781 9.058 1.00 8.84 H new ATOM 0 HD3 ARG A 114 85.497 8.975 10.573 1.00 8.84 H new ATOM 0 HE ARG A 114 87.987 9.734 9.443 1.00 9.52 H new ATOM 0 HH11 ARG A 114 85.044 11.235 10.710 1.00 10.12 H new ATOM 0 HH12 ARG A 114 85.882 12.696 11.242 1.00 10.12 H new ATOM 0 HH21 ARG A 114 89.049 11.618 10.130 1.00 10.88 H new ATOM 0 HH22 ARG A 114 88.137 12.912 10.915 1.00 10.88 H new ATOM 125 N GLY A 115 86.658 4.799 11.322 1.00 6.59 N ATOM 126 CA GLY A 115 87.559 4.448 12.403 1.00 6.53 C ATOM 127 C GLY A 115 88.508 5.578 12.758 1.00 6.78 C ATOM 128 O GLY A 115 88.454 6.653 12.159 1.00 6.99 O ATOM 0 H GLY A 115 85.671 4.827 11.578 1.00 6.59 H new ATOM 0 HA2 GLY A 115 86.977 4.177 13.284 1.00 6.53 H new ATOM 0 HA3 GLY A 115 88.137 3.568 12.119 1.00 6.53 H new ATOM 132 N GLU A 116 89.378 5.334 13.732 1.00 6.92 N ATOM 133 CA GLU A 116 90.341 6.340 14.165 1.00 7.28 C ATOM 134 C GLU A 116 91.533 6.397 13.214 1.00 7.01 C ATOM 135 O GLU A 116 92.588 5.826 13.490 1.00 7.37 O ATOM 136 CB GLU A 116 90.820 6.040 15.585 1.00 7.73 C ATOM 137 CG GLU A 116 90.010 6.746 16.662 1.00 8.27 C ATOM 138 CD GLU A 116 90.473 8.170 16.897 1.00 8.72 C ATOM 139 OE1 GLU A 116 91.689 8.375 17.098 1.00 9.05 O ATOM 140 OE2 GLU A 116 89.619 9.082 16.883 1.00 8.96 O ATOM 0 H GLU A 116 89.436 4.449 14.236 1.00 6.92 H new ATOM 0 HA GLU A 116 89.845 7.310 14.155 1.00 7.28 H new ATOM 0 HB2 GLU A 116 90.775 4.964 15.755 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.866 6.334 15.677 1.00 7.73 H new ATOM 0 HG2 GLU A 116 88.958 6.752 16.376 1.00 8.27 H new ATOM 0 HG3 GLU A 116 90.084 6.185 17.594 1.00 8.27 H new ATOM 147 N GLY A 117 91.357 7.090 12.093 1.00 6.59 N ATOM 148 CA GLY A 117 92.425 7.209 11.119 1.00 6.40 C ATOM 149 C GLY A 117 91.956 6.923 9.707 1.00 5.64 C ATOM 150 O GLY A 117 90.926 7.437 9.271 1.00 5.49 O ATOM 0 H GLY A 117 90.493 7.571 11.842 1.00 6.59 H new ATOM 0 HA2 GLY A 117 92.842 8.215 11.163 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.228 6.519 11.379 1.00 6.40 H new ATOM 154 N HIS A 118 92.712 6.098 8.989 1.00 5.19 N ATOM 155 CA HIS A 118 92.366 5.743 7.617 1.00 4.46 C ATOM 156 C HIS A 118 90.991 5.085 7.556 1.00 4.06 C ATOM 157 O HIS A 118 90.739 4.091 8.235 1.00 4.20 O ATOM 158 CB HIS A 118 93.414 4.796 7.030 1.00 4.14 C ATOM 159 CG HIS A 118 94.783 5.394 6.928 1.00 4.36 C ATOM 160 ND1 HIS A 118 94.967 6.721 6.630 1.00 4.82 N ATOM 161 CD2 HIS A 118 95.992 4.802 7.088 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.275 6.909 6.614 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.938 5.776 6.885 1.00 4.60 N ATOM 0 H HIS A 118 93.568 5.663 9.334 1.00 5.19 H new ATOM 0 HA HIS A 118 92.342 6.661 7.029 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.465 3.899 7.647 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.090 4.482 6.038 1.00 4.14 H new ATOM 0 HD2 HIS A 118 96.175 3.765 7.329 1.00 4.24 H new ATOM 0 HE1 HIS A 118 96.750 7.857 6.408 1.00 4.97 H new ATOM 0 HE2 HIS A 118 97.950 5.660 6.931 1.00 4.60 H new ATOM 171 N ARG A 119 90.109 5.642 6.733 1.00 3.68 N ATOM 172 CA ARG A 119 88.765 5.098 6.583 1.00 3.29 C ATOM 173 C ARG A 119 88.793 3.845 5.717 1.00 2.55 C ATOM 174 O ARG A 119 88.148 2.845 6.031 1.00 2.42 O ATOM 175 CB ARG A 119 87.829 6.144 5.970 1.00 3.40 C ATOM 176 CG ARG A 119 88.312 6.690 4.635 1.00 3.29 C ATOM 177 CD ARG A 119 87.294 7.638 4.023 1.00 3.67 C ATOM 178 NE ARG A 119 87.932 8.713 3.268 1.00 3.86 N ATOM 179 CZ ARG A 119 87.262 9.666 2.625 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.935 9.684 2.647 1.00 4.64 N ATOM 181 NH2 ARG A 119 87.921 10.607 1.962 1.00 4.88 N ATOM 0 H ARG A 119 90.299 6.466 6.162 1.00 3.68 H new ATOM 0 HA ARG A 119 88.389 4.831 7.571 1.00 3.29 H new ATOM 0 HB2 ARG A 119 86.842 5.701 5.836 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.714 6.971 6.671 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.259 7.211 4.775 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.501 5.864 3.949 1.00 3.29 H new ATOM 0 HD2 ARG A 119 86.628 7.079 3.366 1.00 3.67 H new ATOM 0 HD3 ARG A 119 86.677 8.066 4.813 1.00 3.67 H new ATOM 0 HE ARG A 119 88.951 8.735 3.231 1.00 3.86 H new ATOM 0 HH11 ARG A 119 85.424 8.965 3.159 1.00 4.64 H new ATOM 0 HH12 ARG A 119 85.427 10.417 2.152 1.00 4.64 H new ATOM 0 HH21 ARG A 119 88.941 10.600 1.945 1.00 4.88 H new ATOM 0 HH22 ARG A 119 87.408 11.338 1.469 1.00 4.88 H new ATOM 195 N PHE A 120 89.554 3.908 4.627 1.00 2.20 N ATOM 196 CA PHE A 120 89.682 2.781 3.711 1.00 1.52 C ATOM 197 C PHE A 120 88.333 2.395 3.113 1.00 1.27 C ATOM 198 O PHE A 120 87.376 2.116 3.835 1.00 1.46 O ATOM 199 CB PHE A 120 90.292 1.579 4.429 1.00 1.60 C ATOM 200 CG PHE A 120 91.769 1.708 4.673 1.00 1.77 C ATOM 201 CD1 PHE A 120 92.652 1.822 3.611 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.273 1.715 5.963 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.011 1.942 3.832 1.00 1.56 C ATOM 204 CE2 PHE A 120 93.632 1.834 6.190 1.00 2.70 C ATOM 205 CZ PHE A 120 94.502 1.948 5.124 1.00 2.25 C ATOM 0 H PHE A 120 90.092 4.731 4.357 1.00 2.20 H new ATOM 0 HA PHE A 120 90.341 3.088 2.899 1.00 1.52 H new ATOM 0 HB2 PHE A 120 89.785 1.442 5.384 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.107 0.682 3.838 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.274 1.817 2.599 1.00 1.32 H new ATOM 0 HD2 PHE A 120 91.597 1.627 6.801 1.00 2.46 H new ATOM 0 HE1 PHE A 120 94.689 2.031 2.996 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.013 1.838 7.201 1.00 2.70 H new ATOM 0 HZ PHE A 120 95.564 2.042 5.299 1.00 2.25 H new ATOM 215 N VAL A 121 88.267 2.378 1.788 1.00 1.28 N ATOM 216 CA VAL A 121 87.040 2.021 1.086 1.00 1.47 C ATOM 217 C VAL A 121 87.227 0.738 0.283 1.00 1.73 C ATOM 218 O VAL A 121 87.993 0.703 -0.680 1.00 2.05 O ATOM 219 CB VAL A 121 86.583 3.143 0.136 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.156 2.896 -0.331 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.704 4.502 0.811 1.00 2.59 C ATOM 0 H VAL A 121 89.050 2.608 1.176 1.00 1.28 H new ATOM 0 HA VAL A 121 86.274 1.869 1.846 1.00 1.47 H new ATOM 0 HB VAL A 121 87.234 3.141 -0.738 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.849 3.698 -1.002 1.00 2.26 H new ATOM 0 HG12 VAL A 121 85.105 1.943 -0.858 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.490 2.869 0.532 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.376 5.281 0.122 1.00 2.59 H new ATOM 0 HG22 VAL A 121 86.080 4.521 1.704 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.743 4.678 1.090 1.00 2.59 H new ATOM 231 N GLU A 122 86.525 -0.314 0.687 1.00 1.96 N ATOM 232 CA GLU A 122 86.613 -1.601 0.007 1.00 2.61 C ATOM 233 C GLU A 122 86.288 -1.461 -1.477 1.00 3.15 C ATOM 234 O GLU A 122 85.339 -0.772 -1.853 1.00 3.31 O ATOM 235 CB GLU A 122 85.665 -2.610 0.656 1.00 3.09 C ATOM 236 CG GLU A 122 86.302 -3.407 1.784 1.00 3.41 C ATOM 237 CD GLU A 122 85.693 -3.096 3.137 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.168 -1.976 3.309 1.00 4.00 O ATOM 239 OE2 GLU A 122 85.741 -3.973 4.025 1.00 4.17 O ATOM 0 H GLU A 122 85.888 -0.301 1.483 1.00 1.96 H new ATOM 0 HA GLU A 122 87.637 -1.962 0.101 1.00 2.61 H new ATOM 0 HB2 GLU A 122 84.794 -2.081 1.043 1.00 3.09 H new ATOM 0 HB3 GLU A 122 85.305 -3.300 -0.107 1.00 3.09 H new ATOM 0 HG2 GLU A 122 86.193 -4.472 1.577 1.00 3.41 H new ATOM 0 HG3 GLU A 122 87.371 -3.196 1.814 1.00 3.41 H new ATOM 246 N LEU A 123 87.082 -2.119 -2.315 1.00 3.56 N ATOM 247 CA LEU A 123 86.883 -2.070 -3.756 1.00 4.25 C ATOM 248 C LEU A 123 86.078 -3.278 -4.232 1.00 4.92 C ATOM 249 O LEU A 123 86.495 -4.422 -4.055 1.00 5.12 O ATOM 250 CB LEU A 123 88.238 -2.018 -4.470 1.00 4.48 C ATOM 251 CG LEU A 123 88.199 -2.304 -5.971 1.00 4.92 C ATOM 252 CD1 LEU A 123 87.457 -1.200 -6.705 1.00 5.51 C ATOM 253 CD2 LEU A 123 89.610 -2.459 -6.519 1.00 5.24 C ATOM 0 H LEU A 123 87.871 -2.694 -2.018 1.00 3.56 H new ATOM 0 HA LEU A 123 86.320 -1.169 -3.998 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.673 -1.030 -4.317 1.00 4.48 H new ATOM 0 HB3 LEU A 123 88.907 -2.738 -3.997 1.00 4.48 H new ATOM 0 HG LEU A 123 87.664 -3.240 -6.131 1.00 4.92 H new ATOM 0 HD11 LEU A 123 87.439 -1.421 -7.772 1.00 5.51 H new ATOM 0 HD12 LEU A 123 86.435 -1.137 -6.331 1.00 5.51 H new ATOM 0 HD13 LEU A 123 87.963 -0.249 -6.540 1.00 5.51 H new ATOM 0 HD21 LEU A 123 89.565 -2.662 -7.589 1.00 5.24 H new ATOM 0 HD22 LEU A 123 90.170 -1.540 -6.348 1.00 5.24 H new ATOM 0 HD23 LEU A 123 90.108 -3.286 -6.013 1.00 5.24 H new ATOM 265 N ALA A 124 84.924 -3.013 -4.837 1.00 5.38 N ATOM 266 CA ALA A 124 84.064 -4.077 -5.339 1.00 6.08 C ATOM 267 C ALA A 124 84.748 -4.852 -6.459 1.00 6.69 C ATOM 268 O ALA A 124 84.689 -4.458 -7.625 1.00 7.13 O ATOM 269 CB ALA A 124 82.742 -3.502 -5.821 1.00 6.38 C ATOM 0 H ALA A 124 84.564 -2.071 -4.991 1.00 5.38 H new ATOM 0 HA ALA A 124 83.868 -4.770 -4.521 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.109 -4.307 -6.193 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.241 -2.999 -4.994 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.927 -2.786 -6.622 1.00 6.38 H new ATOM 275 N LEU A 125 85.395 -5.954 -6.099 1.00 6.81 N ATOM 276 CA LEU A 125 86.092 -6.784 -7.075 1.00 7.42 C ATOM 277 C LEU A 125 85.107 -7.671 -7.835 1.00 8.16 C ATOM 278 O LEU A 125 83.899 -7.436 -7.809 1.00 8.46 O ATOM 279 CB LEU A 125 87.154 -7.640 -6.378 1.00 7.36 C ATOM 280 CG LEU A 125 88.597 -7.328 -6.778 1.00 6.97 C ATOM 281 CD1 LEU A 125 89.556 -7.709 -5.661 1.00 6.96 C ATOM 282 CD2 LEU A 125 88.960 -8.051 -8.067 1.00 7.07 C ATOM 0 H LEU A 125 85.452 -6.294 -5.139 1.00 6.81 H new ATOM 0 HA LEU A 125 86.585 -6.130 -7.794 1.00 7.42 H new ATOM 0 HB2 LEU A 125 87.055 -7.510 -5.300 1.00 7.36 H new ATOM 0 HB3 LEU A 125 86.952 -8.689 -6.592 1.00 7.36 H new ATOM 0 HG LEU A 125 88.683 -6.255 -6.950 1.00 6.97 H new ATOM 0 HD11 LEU A 125 90.577 -7.480 -5.964 1.00 6.96 H new ATOM 0 HD12 LEU A 125 89.309 -7.145 -4.761 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.470 -8.776 -5.455 1.00 6.96 H new ATOM 0 HD21 LEU A 125 89.990 -7.818 -8.337 1.00 7.07 H new ATOM 0 HD22 LEU A 125 88.857 -9.126 -7.922 1.00 7.07 H new ATOM 0 HD23 LEU A 125 88.293 -7.727 -8.866 1.00 7.07 H new ATOM 294 N ARG A 126 85.631 -8.688 -8.516 1.00 8.60 N ATOM 295 CA ARG A 126 84.796 -9.606 -9.289 1.00 9.37 C ATOM 296 C ARG A 126 84.256 -8.917 -10.540 1.00 9.91 C ATOM 297 O ARG A 126 83.119 -9.151 -10.951 1.00 10.39 O ATOM 298 CB ARG A 126 83.639 -10.135 -8.432 1.00 9.55 C ATOM 299 CG ARG A 126 83.657 -11.643 -8.252 1.00 9.90 C ATOM 300 CD ARG A 126 83.114 -12.358 -9.479 1.00 10.24 C ATOM 301 NE ARG A 126 82.264 -13.489 -9.120 1.00 10.60 N ATOM 302 CZ ARG A 126 81.962 -14.483 -9.953 1.00 11.07 C ATOM 303 NH1 ARG A 126 82.438 -14.488 -11.192 1.00 11.25 N ATOM 304 NH2 ARG A 126 81.181 -15.475 -9.547 1.00 11.57 N ATOM 0 H ARG A 126 86.629 -8.897 -8.549 1.00 8.60 H new ATOM 0 HA ARG A 126 85.413 -10.450 -9.597 1.00 9.37 H new ATOM 0 HB2 ARG A 126 83.677 -9.660 -7.452 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.695 -9.843 -8.891 1.00 9.55 H new ATOM 0 HG2 ARG A 126 84.677 -11.975 -8.058 1.00 9.90 H new ATOM 0 HG3 ARG A 126 83.062 -11.913 -7.379 1.00 9.90 H new ATOM 0 HD2 ARG A 126 82.544 -11.655 -10.086 1.00 10.24 H new ATOM 0 HD3 ARG A 126 83.945 -12.709 -10.092 1.00 10.24 H new ATOM 0 HE ARG A 126 81.879 -13.520 -8.176 1.00 10.60 H new ATOM 0 HH11 ARG A 126 83.039 -13.728 -11.511 1.00 11.25 H new ATOM 0 HH12 ARG A 126 82.203 -15.252 -11.825 1.00 11.25 H new ATOM 0 HH21 ARG A 126 80.811 -15.477 -8.596 1.00 11.57 H new ATOM 0 HH22 ARG A 126 80.950 -16.236 -10.185 1.00 11.57 H new ATOM 318 N GLY A 127 85.085 -8.066 -11.133 1.00 9.94 N ATOM 319 CA GLY A 127 84.687 -7.348 -12.330 1.00 10.50 C ATOM 320 C GLY A 127 85.591 -6.166 -12.613 1.00 10.13 C ATOM 321 O GLY A 127 85.791 -5.786 -13.767 1.00 10.47 O ATOM 0 H GLY A 127 86.029 -7.860 -10.805 1.00 9.94 H new ATOM 0 HA2 GLY A 127 84.703 -8.028 -13.182 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.660 -7.000 -12.219 1.00 10.50 H new ATOM 325 N GLY A 128 86.146 -5.587 -11.552 1.00 9.48 N ATOM 326 CA GLY A 128 87.034 -4.451 -11.701 1.00 9.18 C ATOM 327 C GLY A 128 88.291 -4.592 -10.860 1.00 8.58 C ATOM 328 O GLY A 128 88.276 -4.286 -9.667 1.00 8.03 O ATOM 0 H GLY A 128 85.995 -5.887 -10.589 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.311 -4.343 -12.750 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.508 -3.540 -11.415 1.00 9.18 H new ATOM 332 N PRO A 129 89.403 -5.057 -11.456 1.00 8.71 N ATOM 333 CA PRO A 129 90.670 -5.238 -10.739 1.00 8.20 C ATOM 334 C PRO A 129 91.029 -4.036 -9.870 1.00 7.43 C ATOM 335 O PRO A 129 90.381 -2.992 -9.936 1.00 7.36 O ATOM 336 CB PRO A 129 91.684 -5.405 -11.869 1.00 8.64 C ATOM 337 CG PRO A 129 90.906 -6.013 -12.983 1.00 9.37 C ATOM 338 CD PRO A 129 89.512 -5.451 -12.875 1.00 9.42 C ATOM 0 HA PRO A 129 90.633 -6.079 -10.047 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.113 -4.447 -12.162 1.00 8.64 H new ATOM 0 HB3 PRO A 129 92.512 -6.046 -11.567 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.351 -5.769 -13.948 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.895 -7.100 -12.903 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.371 -4.598 -13.539 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.759 -6.192 -13.144 1.00 9.42 H new ATOM 346 N GLY A 130 92.071 -4.194 -9.059 1.00 6.90 N ATOM 347 CA GLY A 130 92.506 -3.119 -8.189 1.00 6.16 C ATOM 348 C GLY A 130 94.014 -3.059 -8.070 1.00 5.90 C ATOM 349 O GLY A 130 94.610 -3.759 -7.256 1.00 6.04 O ATOM 0 H GLY A 130 92.622 -5.050 -8.990 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.135 -2.169 -8.574 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.070 -3.255 -7.199 1.00 6.16 H new ATOM 353 N TRP A 131 94.636 -2.228 -8.892 1.00 5.60 N ATOM 354 CA TRP A 131 96.083 -2.088 -8.881 1.00 5.39 C ATOM 355 C TRP A 131 96.561 -1.433 -7.589 1.00 4.56 C ATOM 356 O TRP A 131 96.329 -0.246 -7.360 1.00 4.36 O ATOM 357 CB TRP A 131 96.539 -1.276 -10.094 1.00 5.91 C ATOM 358 CG TRP A 131 96.145 -1.900 -11.398 1.00 6.68 C ATOM 359 CD1 TRP A 131 94.883 -2.003 -11.909 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.017 -2.512 -12.356 1.00 7.11 C ATOM 361 NE1 TRP A 131 94.916 -2.644 -13.123 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.214 -2.963 -13.421 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.397 -2.720 -12.419 1.00 7.01 C ATOM 364 CZ2 TRP A 131 96.748 -3.611 -14.532 1.00 8.39 C ATOM 365 CZ3 TRP A 131 98.925 -3.361 -13.522 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.102 -3.801 -14.567 1.00 8.26 C ATOM 0 H TRP A 131 94.160 -1.640 -9.576 1.00 5.60 H new ATOM 0 HA TRP A 131 96.525 -3.083 -8.934 1.00 5.39 H new ATOM 0 HB2 TRP A 131 96.114 -0.274 -10.034 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.623 -1.165 -10.063 1.00 5.91 H new ATOM 0 HD1 TRP A 131 93.989 -1.634 -11.428 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.106 -2.849 -13.708 1.00 7.84 H new ATOM 0 HE3 TRP A 131 99.040 -2.385 -11.618 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.115 -3.952 -15.338 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 99.991 -3.526 -13.580 1.00 7.59 H new ATOM 0 HH2 TRP A 131 98.545 -4.300 -15.416 1.00 8.26 H new ATOM 377 N CYS A 132 97.231 -2.221 -6.748 1.00 4.17 N ATOM 378 CA CYS A 132 97.752 -1.737 -5.472 1.00 3.38 C ATOM 379 C CYS A 132 98.548 -0.449 -5.656 1.00 3.29 C ATOM 380 O CYS A 132 99.762 -0.481 -5.863 1.00 3.32 O ATOM 381 CB CYS A 132 98.631 -2.810 -4.828 1.00 3.20 C ATOM 382 SG CYS A 132 99.249 -2.372 -3.173 1.00 2.31 S ATOM 0 H CYS A 132 97.426 -3.205 -6.931 1.00 4.17 H new ATOM 0 HA CYS A 132 96.907 -1.522 -4.818 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.061 -3.737 -4.758 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.481 -3.007 -5.481 1.00 3.20 H new ATOM 387 N ASP A 133 97.852 0.682 -5.577 1.00 3.33 N ATOM 388 CA ASP A 133 98.478 1.993 -5.738 1.00 3.56 C ATOM 389 C ASP A 133 99.770 2.093 -4.933 1.00 3.14 C ATOM 390 O ASP A 133 100.705 2.795 -5.323 1.00 3.53 O ATOM 391 CB ASP A 133 97.510 3.095 -5.305 1.00 3.65 C ATOM 392 CG ASP A 133 96.283 3.169 -6.193 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.444 3.388 -7.412 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.160 3.011 -5.669 1.00 3.89 O ATOM 0 H ASP A 133 96.848 0.717 -5.401 1.00 3.33 H new ATOM 0 HA ASP A 133 98.723 2.120 -6.792 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.200 2.918 -4.275 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.026 4.055 -5.322 1.00 3.65 H new ATOM 399 N LEU A 134 99.813 1.385 -3.813 1.00 2.45 N ATOM 400 CA LEU A 134 100.987 1.386 -2.949 1.00 2.10 C ATOM 401 C LEU A 134 102.181 0.754 -3.660 1.00 2.27 C ATOM 402 O LEU A 134 103.247 1.360 -3.768 1.00 2.50 O ATOM 403 CB LEU A 134 100.664 0.636 -1.646 1.00 1.47 C ATOM 404 CG LEU A 134 101.851 -0.020 -0.929 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.384 0.890 0.166 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.438 -1.364 -0.353 1.00 1.35 C ATOM 0 H LEU A 134 99.046 0.801 -3.480 1.00 2.45 H new ATOM 0 HA LEU A 134 101.253 2.415 -2.708 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.191 1.335 -0.956 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.929 -0.137 -1.869 1.00 1.47 H new ATOM 0 HG LEU A 134 102.648 -0.183 -1.654 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.225 0.407 0.663 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.713 1.832 -0.272 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.596 1.084 0.893 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.289 -1.820 0.153 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.626 -1.220 0.360 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.102 -2.017 -1.158 1.00 1.35 H new ATOM 418 N CYS A 135 101.993 -0.472 -4.138 1.00 2.35 N ATOM 419 CA CYS A 135 103.052 -1.196 -4.833 1.00 2.66 C ATOM 420 C CYS A 135 102.987 -0.952 -6.338 1.00 3.37 C ATOM 421 O CYS A 135 103.876 -0.326 -6.914 1.00 3.63 O ATOM 422 CB CYS A 135 102.948 -2.697 -4.546 1.00 2.75 C ATOM 423 SG CYS A 135 102.513 -3.105 -2.823 1.00 2.27 S ATOM 0 H CYS A 135 101.116 -0.986 -4.057 1.00 2.35 H new ATOM 0 HA CYS A 135 104.009 -0.826 -4.464 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.200 -3.131 -5.209 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.900 -3.168 -4.789 1.00 2.75 H new ATOM 428 N GLY A 136 101.929 -1.452 -6.969 1.00 3.77 N ATOM 429 CA GLY A 136 101.771 -1.278 -8.402 1.00 4.51 C ATOM 430 C GLY A 136 101.158 -2.488 -9.082 1.00 5.01 C ATOM 431 O GLY A 136 100.734 -2.408 -10.234 1.00 5.65 O ATOM 0 H GLY A 136 101.179 -1.974 -6.515 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.144 -0.406 -8.590 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.745 -1.072 -8.847 1.00 4.51 H new ATOM 435 N ARG A 137 101.108 -3.613 -8.373 1.00 4.84 N ATOM 436 CA ARG A 137 100.542 -4.839 -8.926 1.00 5.43 C ATOM 437 C ARG A 137 99.022 -4.850 -8.779 1.00 5.63 C ATOM 438 O ARG A 137 98.438 -3.929 -8.212 1.00 5.30 O ATOM 439 CB ARG A 137 101.143 -6.061 -8.233 1.00 5.35 C ATOM 440 CG ARG A 137 102.663 -6.047 -8.186 1.00 5.18 C ATOM 441 CD ARG A 137 103.190 -6.637 -6.887 1.00 5.55 C ATOM 442 NE ARG A 137 104.061 -5.706 -6.176 1.00 5.46 N ATOM 443 CZ ARG A 137 104.890 -6.066 -5.199 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.964 -7.335 -4.814 1.00 6.61 N ATOM 445 NH2 ARG A 137 105.649 -5.155 -4.604 1.00 6.15 N ATOM 0 H ARG A 137 101.452 -3.700 -7.417 1.00 4.84 H new ATOM 0 HA ARG A 137 100.787 -4.877 -9.987 1.00 5.43 H new ATOM 0 HB2 ARG A 137 100.757 -6.118 -7.215 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.812 -6.961 -8.750 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.059 -6.613 -9.030 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.021 -5.023 -8.293 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.351 -6.910 -6.246 1.00 5.55 H new ATOM 0 HD3 ARG A 137 103.738 -7.554 -7.102 1.00 5.55 H new ATOM 0 HE ARG A 137 104.033 -4.722 -6.444 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.383 -8.040 -5.268 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.601 -7.604 -4.065 1.00 6.61 H new ATOM 0 HH21 ARG A 137 105.597 -4.179 -4.895 1.00 6.15 H new ATOM 0 HH22 ARG A 137 106.284 -5.431 -3.855 1.00 6.15 H new ATOM 459 N GLU A 138 98.389 -5.899 -9.295 1.00 6.20 N ATOM 460 CA GLU A 138 96.937 -6.029 -9.221 1.00 6.47 C ATOM 461 C GLU A 138 96.518 -6.748 -7.941 1.00 6.14 C ATOM 462 O GLU A 138 97.009 -7.836 -7.640 1.00 6.19 O ATOM 463 CB GLU A 138 96.412 -6.791 -10.440 1.00 7.34 C ATOM 464 CG GLU A 138 94.895 -6.824 -10.530 1.00 8.03 C ATOM 465 CD GLU A 138 94.381 -8.061 -11.239 1.00 8.64 C ATOM 466 OE1 GLU A 138 94.634 -8.197 -12.455 1.00 8.93 O ATOM 467 OE2 GLU A 138 93.725 -8.894 -10.580 1.00 9.02 O ATOM 0 H GLU A 138 98.858 -6.671 -9.769 1.00 6.20 H new ATOM 0 HA GLU A 138 96.507 -5.027 -9.211 1.00 6.47 H new ATOM 0 HB2 GLU A 138 96.811 -6.332 -11.344 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.788 -7.814 -10.408 1.00 7.34 H new ATOM 0 HG2 GLU A 138 94.474 -6.784 -9.525 1.00 8.03 H new ATOM 0 HG3 GLU A 138 94.546 -5.936 -11.057 1.00 8.03 H new ATOM 474 N VAL A 139 95.609 -6.133 -7.190 1.00 5.87 N ATOM 475 CA VAL A 139 95.128 -6.720 -5.942 1.00 5.60 C ATOM 476 C VAL A 139 94.032 -7.749 -6.204 1.00 6.26 C ATOM 477 O VAL A 139 93.049 -7.467 -6.889 1.00 6.56 O ATOM 478 CB VAL A 139 94.605 -5.639 -4.969 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.618 -4.512 -4.826 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.254 -5.097 -5.422 1.00 5.14 C ATOM 0 H VAL A 139 95.192 -5.232 -7.422 1.00 5.87 H new ATOM 0 HA VAL A 139 95.979 -7.219 -5.478 1.00 5.60 H new ATOM 0 HB VAL A 139 94.467 -6.104 -3.993 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.232 -3.761 -4.137 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.555 -4.912 -4.439 1.00 4.29 H new ATOM 0 HG13 VAL A 139 95.794 -4.055 -5.800 1.00 4.29 H new ATOM 0 HG21 VAL A 139 92.912 -4.339 -4.718 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.353 -4.654 -6.413 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.530 -5.911 -5.459 1.00 5.14 H new ATOM 490 N LEU A 140 94.211 -8.948 -5.657 1.00 6.55 N ATOM 491 CA LEU A 140 93.243 -10.024 -5.832 1.00 7.22 C ATOM 492 C LEU A 140 92.055 -9.853 -4.891 1.00 6.99 C ATOM 493 O LEU A 140 90.907 -10.059 -5.283 1.00 7.24 O ATOM 494 CB LEU A 140 93.907 -11.380 -5.591 1.00 7.76 C ATOM 495 CG LEU A 140 94.564 -12.007 -6.822 1.00 8.26 C ATOM 496 CD1 LEU A 140 95.875 -12.681 -6.445 1.00 8.62 C ATOM 497 CD2 LEU A 140 93.620 -13.006 -7.478 1.00 8.78 C ATOM 0 H LEU A 140 95.020 -9.198 -5.088 1.00 6.55 H new ATOM 0 HA LEU A 140 92.877 -9.982 -6.858 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.663 -11.264 -4.814 1.00 7.76 H new ATOM 0 HB3 LEU A 140 93.157 -12.071 -5.206 1.00 7.76 H new ATOM 0 HG LEU A 140 94.780 -11.214 -7.538 1.00 8.26 H new ATOM 0 HD11 LEU A 140 96.327 -13.121 -7.334 1.00 8.62 H new ATOM 0 HD12 LEU A 140 96.555 -11.942 -6.020 1.00 8.62 H new ATOM 0 HD13 LEU A 140 95.684 -13.463 -5.710 1.00 8.62 H new ATOM 0 HD21 LEU A 140 94.103 -13.443 -8.352 1.00 8.78 H new ATOM 0 HD22 LEU A 140 93.374 -13.795 -6.767 1.00 8.78 H new ATOM 0 HD23 LEU A 140 92.707 -12.496 -7.785 1.00 8.78 H new ATOM 509 N ARG A 141 92.338 -9.483 -3.646 1.00 6.56 N ATOM 510 CA ARG A 141 91.289 -9.291 -2.652 1.00 6.36 C ATOM 511 C ARG A 141 90.760 -7.860 -2.684 1.00 5.74 C ATOM 512 O ARG A 141 91.346 -6.985 -3.320 1.00 5.48 O ATOM 513 CB ARG A 141 91.817 -9.618 -1.254 1.00 6.20 C ATOM 514 CG ARG A 141 91.645 -11.079 -0.865 1.00 6.87 C ATOM 515 CD ARG A 141 90.213 -11.384 -0.457 1.00 7.11 C ATOM 516 NE ARG A 141 89.619 -12.431 -1.285 1.00 7.57 N ATOM 517 CZ ARG A 141 88.541 -13.129 -0.936 1.00 8.00 C ATOM 518 NH1 ARG A 141 87.935 -12.896 0.222 1.00 8.08 N ATOM 519 NH2 ARG A 141 88.066 -14.064 -1.748 1.00 8.60 N ATOM 0 H ARG A 141 93.283 -9.311 -3.302 1.00 6.56 H new ATOM 0 HA ARG A 141 90.469 -9.967 -2.893 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.875 -9.359 -1.204 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.302 -8.993 -0.525 1.00 6.20 H new ATOM 0 HG2 ARG A 141 91.929 -11.715 -1.703 1.00 6.87 H new ATOM 0 HG3 ARG A 141 92.318 -11.319 -0.041 1.00 6.87 H new ATOM 0 HD2 ARG A 141 90.192 -11.693 0.588 1.00 7.11 H new ATOM 0 HD3 ARG A 141 89.613 -10.477 -0.534 1.00 7.11 H new ATOM 0 HE ARG A 141 90.056 -12.639 -2.183 1.00 7.57 H new ATOM 0 HH11 ARG A 141 88.295 -12.178 0.851 1.00 8.08 H new ATOM 0 HH12 ARG A 141 87.109 -13.435 0.483 1.00 8.08 H new ATOM 0 HH21 ARG A 141 88.527 -14.248 -2.639 1.00 8.60 H new ATOM 0 HH22 ARG A 141 87.240 -14.599 -1.481 1.00 8.60 H new ATOM 533 N GLN A 142 89.649 -7.631 -1.992 1.00 5.55 N ATOM 534 CA GLN A 142 89.038 -6.308 -1.939 1.00 4.97 C ATOM 535 C GLN A 142 90.007 -5.290 -1.345 1.00 4.20 C ATOM 536 O GLN A 142 90.034 -5.079 -0.132 1.00 3.88 O ATOM 537 CB GLN A 142 87.751 -6.347 -1.113 1.00 4.98 C ATOM 538 CG GLN A 142 86.614 -7.091 -1.796 1.00 5.49 C ATOM 539 CD GLN A 142 85.531 -7.517 -0.824 1.00 6.00 C ATOM 540 OE1 GLN A 142 85.037 -6.712 -0.034 1.00 6.30 O ATOM 541 NE2 GLN A 142 85.158 -8.791 -0.876 1.00 6.42 N ATOM 0 H GLN A 142 89.153 -8.346 -1.459 1.00 5.55 H new ATOM 0 HA GLN A 142 88.795 -6.005 -2.958 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.959 -6.820 -0.153 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.432 -5.326 -0.903 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.177 -6.454 -2.565 1.00 5.49 H new ATOM 0 HG3 GLN A 142 87.012 -7.972 -2.300 1.00 5.49 H new ATOM 0 HE21 GLN A 142 85.595 -9.423 -1.547 1.00 6.42 H new ATOM 0 HE22 GLN A 142 84.435 -9.137 -0.245 1.00 6.42 H new ATOM 550 N ALA A 143 90.801 -4.665 -2.206 1.00 4.01 N ATOM 551 CA ALA A 143 91.773 -3.670 -1.767 1.00 3.31 C ATOM 552 C ALA A 143 91.096 -2.537 -1.002 1.00 2.66 C ATOM 553 O ALA A 143 89.951 -2.181 -1.282 1.00 2.78 O ATOM 554 CB ALA A 143 92.538 -3.118 -2.961 1.00 3.47 C ATOM 0 H ALA A 143 90.791 -4.829 -3.213 1.00 4.01 H new ATOM 0 HA ALA A 143 92.475 -4.159 -1.092 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.260 -2.376 -2.619 1.00 3.47 H new ATOM 0 HB2 ALA A 143 93.063 -3.930 -3.464 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.840 -2.651 -3.656 1.00 3.47 H new ATOM 560 N LEU A 144 91.813 -1.974 -0.035 1.00 2.03 N ATOM 561 CA LEU A 144 91.285 -0.879 0.772 1.00 1.43 C ATOM 562 C LEU A 144 91.784 0.463 0.246 1.00 1.04 C ATOM 563 O LEU A 144 92.989 0.717 0.207 1.00 0.81 O ATOM 564 CB LEU A 144 91.692 -1.059 2.235 1.00 1.45 C ATOM 565 CG LEU A 144 91.024 -2.237 2.951 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.021 -2.958 3.844 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.829 -1.759 3.762 1.00 2.25 C ATOM 0 H LEU A 144 92.762 -2.258 0.209 1.00 2.03 H new ATOM 0 HA LEU A 144 90.197 -0.892 0.705 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.773 -1.190 2.283 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.458 -0.143 2.777 1.00 1.45 H new ATOM 0 HG LEU A 144 90.670 -2.940 2.197 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.526 -3.791 4.343 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.845 -3.335 3.239 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.407 -2.265 4.591 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.367 -2.609 4.264 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.160 -1.035 4.506 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.103 -1.291 3.098 1.00 2.25 H new ATOM 579 N ARG A 145 90.852 1.315 -0.171 1.00 1.33 N ATOM 580 CA ARG A 145 91.202 2.625 -0.711 1.00 1.75 C ATOM 581 C ARG A 145 90.923 3.735 0.292 1.00 1.84 C ATOM 582 O ARG A 145 89.786 4.182 0.435 1.00 2.07 O ATOM 583 CB ARG A 145 90.425 2.890 -2.000 1.00 2.50 C ATOM 584 CG ARG A 145 90.772 4.217 -2.656 1.00 3.14 C ATOM 585 CD ARG A 145 89.549 5.106 -2.805 1.00 3.82 C ATOM 586 NE ARG A 145 88.917 4.956 -4.114 1.00 4.39 N ATOM 587 CZ ARG A 145 87.674 5.344 -4.387 1.00 4.96 C ATOM 588 NH1 ARG A 145 86.925 5.905 -3.446 1.00 5.14 N ATOM 589 NH2 ARG A 145 87.178 5.170 -5.604 1.00 5.67 N ATOM 0 H ARG A 145 89.851 1.122 -0.146 1.00 1.33 H new ATOM 0 HA ARG A 145 92.271 2.619 -0.924 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.621 2.083 -2.706 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.357 2.870 -1.782 1.00 2.50 H new ATOM 0 HG2 ARG A 145 91.526 4.732 -2.060 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.211 4.034 -3.637 1.00 3.14 H new ATOM 0 HD2 ARG A 145 88.828 4.863 -2.025 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.838 6.147 -2.659 1.00 3.82 H new ATOM 0 HE ARG A 145 89.461 4.528 -4.863 1.00 4.39 H new ATOM 0 HH11 ARG A 145 87.302 6.041 -2.508 1.00 5.14 H new ATOM 0 HH12 ARG A 145 85.973 6.201 -3.661 1.00 5.14 H new ATOM 0 HH21 ARG A 145 87.749 4.739 -6.331 1.00 5.67 H new ATOM 0 HH22 ARG A 145 86.225 5.467 -5.814 1.00 5.67 H new ATOM 603 N CYS A 146 91.966 4.182 0.975 1.00 1.92 N ATOM 604 CA CYS A 146 91.828 5.247 1.955 1.00 2.46 C ATOM 605 C CYS A 146 91.841 6.607 1.262 1.00 3.20 C ATOM 606 O CYS A 146 92.857 7.300 1.251 1.00 3.63 O ATOM 607 CB CYS A 146 92.948 5.161 2.995 1.00 2.60 C ATOM 608 SG CYS A 146 93.085 6.614 4.089 1.00 3.57 S ATOM 0 H CYS A 146 92.915 3.824 0.869 1.00 1.92 H new ATOM 0 HA CYS A 146 90.873 5.130 2.468 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.788 4.275 3.609 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.897 5.023 2.477 1.00 2.60 H new ATOM 613 N ALA A 147 90.703 6.975 0.682 1.00 3.42 N ATOM 614 CA ALA A 147 90.574 8.247 -0.023 1.00 4.19 C ATOM 615 C ALA A 147 90.864 9.440 0.889 1.00 4.75 C ATOM 616 O ALA A 147 90.974 10.572 0.418 1.00 5.41 O ATOM 617 CB ALA A 147 89.180 8.373 -0.622 1.00 4.35 C ATOM 0 H ALA A 147 89.854 6.409 0.686 1.00 3.42 H new ATOM 0 HA ALA A 147 91.316 8.257 -0.821 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.094 9.325 -1.146 1.00 4.35 H new ATOM 0 HB2 ALA A 147 89.010 7.556 -1.324 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.437 8.328 0.174 1.00 4.35 H new ATOM 623 N ASN A 148 90.991 9.189 2.189 1.00 4.58 N ATOM 624 CA ASN A 148 91.271 10.254 3.144 1.00 5.23 C ATOM 625 C ASN A 148 92.678 10.814 2.952 1.00 5.62 C ATOM 626 O ASN A 148 92.967 11.933 3.373 1.00 6.29 O ATOM 627 CB ASN A 148 91.099 9.743 4.576 1.00 5.11 C ATOM 628 CG ASN A 148 90.365 10.731 5.460 1.00 5.34 C ATOM 629 OD1 ASN A 148 90.946 11.709 5.932 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.081 10.482 5.689 1.00 5.41 N ATOM 0 H ASN A 148 90.905 8.261 2.603 1.00 4.58 H new ATOM 0 HA ASN A 148 90.559 11.059 2.965 1.00 5.23 H new ATOM 0 HB2 ASN A 148 90.553 8.800 4.559 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.079 9.535 5.005 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.536 11.113 6.276 1.00 5.41 H new ATOM 0 HD22 ASN A 148 88.640 9.660 5.278 1.00 5.41 H new ATOM 637 N CYS A 149 93.556 10.037 2.318 1.00 5.21 N ATOM 638 CA CYS A 149 94.925 10.485 2.086 1.00 5.54 C ATOM 639 C CYS A 149 95.693 9.493 1.220 1.00 5.02 C ATOM 640 O CYS A 149 96.392 9.884 0.284 1.00 5.26 O ATOM 641 CB CYS A 149 95.649 10.683 3.419 1.00 5.86 C ATOM 642 SG CYS A 149 95.407 9.320 4.605 1.00 5.35 S ATOM 0 H CYS A 149 93.346 9.105 1.960 1.00 5.21 H new ATOM 0 HA CYS A 149 94.881 11.436 1.555 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.716 10.799 3.227 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.304 11.612 3.873 1.00 5.86 H new ATOM 647 N LYS A 150 95.568 8.211 1.540 1.00 4.33 N ATOM 648 CA LYS A 150 96.261 7.168 0.794 1.00 3.79 C ATOM 649 C LYS A 150 95.472 6.773 -0.461 1.00 3.60 C ATOM 650 O LYS A 150 94.891 7.629 -1.128 1.00 4.14 O ATOM 651 CB LYS A 150 96.506 5.951 1.694 1.00 3.18 C ATOM 652 CG LYS A 150 96.878 6.312 3.124 1.00 3.63 C ATOM 653 CD LYS A 150 97.900 5.343 3.696 1.00 3.46 C ATOM 654 CE LYS A 150 99.320 5.767 3.358 1.00 3.65 C ATOM 655 NZ LYS A 150 99.646 5.524 1.926 1.00 3.87 N ATOM 0 H LYS A 150 94.994 7.869 2.310 1.00 4.33 H new ATOM 0 HA LYS A 150 97.225 7.558 0.468 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.608 5.333 1.707 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.303 5.346 1.262 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.280 7.325 3.152 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.983 6.307 3.746 1.00 3.63 H new ATOM 0 HD2 LYS A 150 97.784 5.287 4.778 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.715 4.343 3.303 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.446 6.826 3.584 1.00 3.65 H new ATOM 0 HE3 LYS A 150 100.022 5.220 3.988 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.678 5.548 1.796 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 99.283 4.592 1.640 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.206 6.262 1.340 1.00 3.87 H new ATOM 669 N PHE A 151 95.466 5.481 -0.786 1.00 2.95 N ATOM 670 CA PHE A 151 94.762 4.986 -1.965 1.00 2.98 C ATOM 671 C PHE A 151 94.382 3.515 -1.788 1.00 2.28 C ATOM 672 O PHE A 151 94.446 2.983 -0.679 1.00 1.66 O ATOM 673 CB PHE A 151 95.637 5.165 -3.212 1.00 3.44 C ATOM 674 CG PHE A 151 97.109 4.987 -2.952 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.561 4.000 -2.090 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.039 5.809 -3.569 1.00 3.47 C ATOM 677 CE1 PHE A 151 98.912 3.836 -1.849 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.391 5.649 -3.330 1.00 3.41 C ATOM 679 CZ PHE A 151 99.828 4.660 -2.469 1.00 3.10 C ATOM 0 H PHE A 151 95.942 4.758 -0.247 1.00 2.95 H new ATOM 0 HA PHE A 151 93.846 5.562 -2.091 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.322 4.449 -3.971 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.468 6.160 -3.623 1.00 3.44 H new ATOM 0 HD1 PHE A 151 96.849 3.352 -1.601 1.00 3.36 H new ATOM 0 HD2 PHE A 151 97.704 6.583 -4.244 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.250 3.063 -1.175 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.106 6.297 -3.816 1.00 3.41 H new ATOM 0 HZ PHE A 151 100.884 4.533 -2.282 1.00 3.10 H new ATOM 689 N THR A 152 93.985 2.862 -2.880 1.00 2.56 N ATOM 690 CA THR A 152 93.600 1.454 -2.829 1.00 2.30 C ATOM 691 C THR A 152 94.830 0.557 -2.723 1.00 2.04 C ATOM 692 O THR A 152 95.500 0.283 -3.718 1.00 2.50 O ATOM 693 CB THR A 152 92.789 1.081 -4.071 1.00 3.04 C ATOM 694 OG1 THR A 152 92.136 2.219 -4.604 1.00 3.69 O ATOM 695 CG2 THR A 152 91.734 0.029 -3.803 1.00 3.48 C ATOM 0 H THR A 152 93.922 3.284 -3.806 1.00 2.56 H new ATOM 0 HA THR A 152 92.985 1.303 -1.942 1.00 2.30 H new ATOM 0 HB THR A 152 93.513 0.675 -4.777 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.624 1.960 -5.399 1.00 3.69 H new ATOM 0 HG21 THR A 152 91.195 -0.189 -4.725 1.00 3.48 H new ATOM 0 HG22 THR A 152 92.211 -0.880 -3.438 1.00 3.48 H new ATOM 0 HG23 THR A 152 91.034 0.398 -3.053 1.00 3.48 H new ATOM 703 N CYS A 153 95.126 0.118 -1.505 1.00 1.38 N ATOM 704 CA CYS A 153 96.283 -0.734 -1.254 1.00 1.29 C ATOM 705 C CYS A 153 95.878 -2.195 -1.081 1.00 1.85 C ATOM 706 O CYS A 153 94.694 -2.514 -0.969 1.00 2.08 O ATOM 707 CB CYS A 153 97.018 -0.255 -0.002 1.00 0.64 C ATOM 708 SG CYS A 153 96.058 -0.407 1.524 1.00 1.36 S ATOM 0 H CYS A 153 94.579 0.339 -0.673 1.00 1.38 H new ATOM 0 HA CYS A 153 96.941 -0.666 -2.120 1.00 1.29 H new ATOM 0 HB2 CYS A 153 97.941 -0.825 0.104 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.301 0.789 -0.137 1.00 0.64 H new ATOM 0 HG CYS A 153 94.827 -0.056 1.299 1.00 1.36 H new ATOM 714 N HIS A 154 96.874 -3.073 -1.049 1.00 2.20 N ATOM 715 CA HIS A 154 96.636 -4.503 -0.876 1.00 2.94 C ATOM 716 C HIS A 154 96.098 -4.780 0.526 1.00 3.04 C ATOM 717 O HIS A 154 96.526 -4.159 1.497 1.00 2.70 O ATOM 718 CB HIS A 154 97.932 -5.287 -1.091 1.00 3.32 C ATOM 719 CG HIS A 154 98.131 -5.772 -2.491 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.204 -5.362 -3.240 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.383 -6.634 -3.223 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.092 -5.977 -4.403 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.004 -6.760 -4.442 1.00 4.64 N ATOM 0 H HIS A 154 97.858 -2.819 -1.141 1.00 2.20 H new ATOM 0 HA HIS A 154 95.900 -4.823 -1.614 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.776 -4.655 -0.814 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.941 -6.144 -0.417 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.475 -7.126 -2.909 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.789 -5.864 -5.220 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.697 -7.337 -5.225 1.00 4.64 H new ATOM 731 N SER A 155 95.161 -5.717 0.625 1.00 3.67 N ATOM 732 CA SER A 155 94.572 -6.072 1.912 1.00 3.98 C ATOM 733 C SER A 155 95.653 -6.349 2.955 1.00 4.20 C ATOM 734 O SER A 155 95.671 -5.738 4.023 1.00 4.08 O ATOM 735 CB SER A 155 93.668 -7.296 1.762 1.00 4.76 C ATOM 736 OG SER A 155 92.598 -7.258 2.690 1.00 5.02 O ATOM 0 H SER A 155 94.794 -6.243 -0.168 1.00 3.67 H new ATOM 0 HA SER A 155 93.976 -5.225 2.253 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.272 -7.337 0.747 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.252 -8.204 1.913 1.00 4.76 H new ATOM 0 HG SER A 155 92.034 -8.051 2.572 1.00 5.02 H new ATOM 742 N GLU A 156 96.552 -7.276 2.636 1.00 4.69 N ATOM 743 CA GLU A 156 97.633 -7.639 3.543 1.00 5.06 C ATOM 744 C GLU A 156 98.621 -6.487 3.720 1.00 4.46 C ATOM 745 O GLU A 156 99.292 -6.388 4.749 1.00 4.76 O ATOM 746 CB GLU A 156 98.365 -8.878 3.026 1.00 5.69 C ATOM 747 CG GLU A 156 99.293 -9.509 4.051 1.00 6.28 C ATOM 748 CD GLU A 156 98.638 -10.645 4.811 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.545 -10.428 5.377 1.00 7.29 O ATOM 750 OE2 GLU A 156 99.216 -11.751 4.840 1.00 7.31 O ATOM 0 H GLU A 156 96.552 -7.789 1.755 1.00 4.69 H new ATOM 0 HA GLU A 156 97.192 -7.861 4.515 1.00 5.06 H new ATOM 0 HB2 GLU A 156 97.630 -9.618 2.710 1.00 5.69 H new ATOM 0 HB3 GLU A 156 98.944 -8.606 2.143 1.00 5.69 H new ATOM 0 HG2 GLU A 156 100.185 -9.881 3.547 1.00 6.28 H new ATOM 0 HG3 GLU A 156 99.621 -8.746 4.757 1.00 6.28 H new ATOM 757 N CYS A 157 98.710 -5.620 2.716 1.00 3.72 N ATOM 758 CA CYS A 157 99.622 -4.481 2.774 1.00 3.15 C ATOM 759 C CYS A 157 99.166 -3.468 3.820 1.00 3.01 C ATOM 760 O CYS A 157 99.972 -2.696 4.339 1.00 3.02 O ATOM 761 CB CYS A 157 99.719 -3.805 1.406 1.00 2.51 C ATOM 762 SG CYS A 157 101.064 -4.441 0.350 1.00 2.62 S ATOM 0 H CYS A 157 98.165 -5.683 1.856 1.00 3.72 H new ATOM 0 HA CYS A 157 100.606 -4.854 3.059 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.771 -3.931 0.883 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.862 -2.734 1.552 1.00 2.51 H new ATOM 767 N ARG A 158 97.870 -3.473 4.124 1.00 3.04 N ATOM 768 CA ARG A 158 97.310 -2.550 5.106 1.00 3.06 C ATOM 769 C ARG A 158 98.132 -2.553 6.395 1.00 3.76 C ATOM 770 O ARG A 158 98.524 -1.500 6.893 1.00 3.88 O ATOM 771 CB ARG A 158 95.858 -2.920 5.414 1.00 3.18 C ATOM 772 CG ARG A 158 94.970 -1.718 5.694 1.00 3.57 C ATOM 773 CD ARG A 158 94.188 -1.884 6.987 1.00 4.14 C ATOM 774 NE ARG A 158 94.203 -0.667 7.795 1.00 4.64 N ATOM 775 CZ ARG A 158 95.228 -0.298 8.561 1.00 5.27 C ATOM 776 NH1 ARG A 158 96.321 -1.048 8.626 1.00 5.53 N ATOM 777 NH2 ARG A 158 95.159 0.825 9.264 1.00 5.95 N ATOM 0 H ARG A 158 97.189 -4.106 3.704 1.00 3.04 H new ATOM 0 HA ARG A 158 97.342 -1.547 4.681 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.447 -3.476 4.572 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.837 -3.586 6.277 1.00 3.18 H new ATOM 0 HG2 ARG A 158 95.583 -0.819 5.753 1.00 3.57 H new ATOM 0 HG3 ARG A 158 94.276 -1.577 4.865 1.00 3.57 H new ATOM 0 HD2 ARG A 158 93.157 -2.153 6.756 1.00 4.14 H new ATOM 0 HD3 ARG A 158 94.610 -2.707 7.563 1.00 4.14 H new ATOM 0 HE ARG A 158 93.380 -0.065 7.771 1.00 4.64 H new ATOM 0 HH11 ARG A 158 96.379 -1.912 8.087 1.00 5.53 H new ATOM 0 HH12 ARG A 158 97.103 -0.760 9.214 1.00 5.53 H new ATOM 0 HH21 ARG A 158 94.321 1.405 9.218 1.00 5.95 H new ATOM 0 HH22 ARG A 158 95.944 1.108 9.851 1.00 5.95 H new ATOM 791 N SER A 159 98.388 -3.744 6.924 1.00 4.35 N ATOM 792 CA SER A 159 99.162 -3.884 8.152 1.00 5.07 C ATOM 793 C SER A 159 100.574 -3.333 7.969 1.00 5.04 C ATOM 794 O SER A 159 101.142 -2.736 8.884 1.00 5.56 O ATOM 795 CB SER A 159 99.226 -5.351 8.576 1.00 5.71 C ATOM 796 OG SER A 159 99.209 -5.475 9.989 1.00 6.02 O ATOM 0 H SER A 159 98.071 -4.626 6.522 1.00 4.35 H new ATOM 0 HA SER A 159 98.664 -3.310 8.933 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.382 -5.893 8.150 1.00 5.71 H new ATOM 0 HB3 SER A 159 100.132 -5.809 8.178 1.00 5.71 H new ATOM 0 HG SER A 159 99.249 -6.423 10.235 1.00 6.02 H new ATOM 802 N LEU A 160 101.136 -3.539 6.782 1.00 4.50 N ATOM 803 CA LEU A 160 102.480 -3.063 6.480 1.00 4.49 C ATOM 804 C LEU A 160 102.542 -1.539 6.507 1.00 4.25 C ATOM 805 O LEU A 160 103.582 -0.955 6.812 1.00 4.39 O ATOM 806 CB LEU A 160 102.931 -3.578 5.112 1.00 4.13 C ATOM 807 CG LEU A 160 102.775 -5.085 4.902 1.00 4.38 C ATOM 808 CD1 LEU A 160 103.084 -5.459 3.460 1.00 4.84 C ATOM 809 CD2 LEU A 160 103.677 -5.851 5.858 1.00 4.59 C ATOM 0 H LEU A 160 100.681 -4.032 6.014 1.00 4.50 H new ATOM 0 HA LEU A 160 103.152 -3.448 7.247 1.00 4.49 H new ATOM 0 HB2 LEU A 160 102.363 -3.059 4.340 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.979 -3.313 4.969 1.00 4.13 H new ATOM 0 HG LEU A 160 101.740 -5.357 5.112 1.00 4.38 H new ATOM 0 HD11 LEU A 160 102.968 -6.535 3.330 1.00 4.84 H new ATOM 0 HD12 LEU A 160 102.398 -4.937 2.794 1.00 4.84 H new ATOM 0 HD13 LEU A 160 104.109 -5.174 3.222 1.00 4.84 H new ATOM 0 HD21 LEU A 160 103.554 -6.922 5.695 1.00 4.59 H new ATOM 0 HD22 LEU A 160 104.716 -5.574 5.679 1.00 4.59 H new ATOM 0 HD23 LEU A 160 103.409 -5.607 6.886 1.00 4.59 H new ATOM 821 N ILE A 161 101.422 -0.899 6.189 1.00 4.04 N ATOM 822 CA ILE A 161 101.351 0.557 6.178 1.00 4.02 C ATOM 823 C ILE A 161 101.155 1.107 7.587 1.00 4.66 C ATOM 824 O ILE A 161 100.064 1.025 8.150 1.00 4.65 O ATOM 825 CB ILE A 161 100.207 1.059 5.277 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.290 0.410 3.894 1.00 2.89 C ATOM 827 CG2 ILE A 161 100.253 2.577 5.157 1.00 3.55 C ATOM 828 CD1 ILE A 161 98.959 0.338 3.178 1.00 2.37 C ATOM 0 H ILE A 161 100.551 -1.366 5.936 1.00 4.04 H new ATOM 0 HA ILE A 161 102.299 0.917 5.779 1.00 4.02 H new ATOM 0 HB ILE A 161 99.258 0.776 5.733 1.00 3.40 H new ATOM 0 HG12 ILE A 161 100.994 0.972 3.280 1.00 2.89 H new ATOM 0 HG13 ILE A 161 100.692 -0.598 3.998 1.00 2.89 H new ATOM 0 HG21 ILE A 161 99.438 2.916 4.517 1.00 3.55 H new ATOM 0 HG22 ILE A 161 100.148 3.023 6.146 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.206 2.879 4.722 1.00 3.55 H new ATOM 0 HD11 ILE A 161 99.094 -0.134 2.205 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.258 -0.249 3.771 1.00 2.37 H new ATOM 0 HD13 ILE A 161 98.564 1.345 3.042 1.00 2.37 H new ATOM 840 N GLN A 162 102.220 1.670 8.149 1.00 5.30 N ATOM 841 CA GLN A 162 102.166 2.235 9.493 1.00 6.01 C ATOM 842 C GLN A 162 102.094 3.759 9.440 1.00 6.16 C ATOM 843 O GLN A 162 102.573 4.443 10.342 1.00 6.76 O ATOM 844 CB GLN A 162 103.390 1.796 10.301 1.00 6.80 C ATOM 845 CG GLN A 162 103.143 0.566 11.159 1.00 6.97 C ATOM 846 CD GLN A 162 104.114 0.461 12.319 1.00 7.56 C ATOM 847 OE1 GLN A 162 104.977 -0.416 12.343 1.00 8.05 O ATOM 848 NE2 GLN A 162 103.976 1.358 13.289 1.00 7.77 N ATOM 0 H GLN A 162 103.130 1.747 7.695 1.00 5.30 H new ATOM 0 HA GLN A 162 101.265 1.865 9.982 1.00 6.01 H new ATOM 0 HB2 GLN A 162 104.213 1.592 9.616 1.00 6.80 H new ATOM 0 HB3 GLN A 162 103.706 2.619 10.942 1.00 6.80 H new ATOM 0 HG2 GLN A 162 102.124 0.595 11.544 1.00 6.97 H new ATOM 0 HG3 GLN A 162 103.224 -0.327 10.540 1.00 6.97 H new ATOM 0 HE21 GLN A 162 103.246 2.068 13.227 1.00 7.77 H new ATOM 0 HE22 GLN A 162 104.600 1.337 14.096 1.00 7.77 H new ATOM 857 N LEU A 163 101.493 4.282 8.376 1.00 5.80 N ATOM 858 CA LEU A 163 101.361 5.724 8.206 1.00 6.11 C ATOM 859 C LEU A 163 100.008 6.209 8.718 1.00 6.27 C ATOM 860 O LEU A 163 98.979 5.582 8.472 1.00 6.00 O ATOM 861 CB LEU A 163 101.530 6.103 6.733 1.00 5.81 C ATOM 862 CG LEU A 163 102.338 7.377 6.479 1.00 6.22 C ATOM 863 CD1 LEU A 163 101.608 8.591 7.030 1.00 6.32 C ATOM 864 CD2 LEU A 163 103.723 7.260 7.098 1.00 6.57 C ATOM 0 H LEU A 163 101.090 3.729 7.619 1.00 5.80 H new ATOM 0 HA LEU A 163 102.145 6.208 8.789 1.00 6.11 H new ATOM 0 HB2 LEU A 163 102.013 5.275 6.214 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.542 6.224 6.289 1.00 5.81 H new ATOM 0 HG LEU A 163 102.451 7.505 5.402 1.00 6.22 H new ATOM 0 HD11 LEU A 163 102.198 9.488 6.840 1.00 6.32 H new ATOM 0 HD12 LEU A 163 100.638 8.685 6.542 1.00 6.32 H new ATOM 0 HD13 LEU A 163 101.464 8.472 8.104 1.00 6.32 H new ATOM 0 HD21 LEU A 163 104.285 8.175 6.908 1.00 6.57 H new ATOM 0 HD22 LEU A 163 103.629 7.108 8.173 1.00 6.57 H new ATOM 0 HD23 LEU A 163 104.248 6.413 6.657 1.00 6.57 H new ATOM 876 N ASP A 164 100.019 7.330 9.431 1.00 6.82 N ATOM 877 CA ASP A 164 98.793 7.901 9.979 1.00 7.11 C ATOM 878 C ASP A 164 98.124 8.827 8.968 1.00 6.85 C ATOM 879 O ASP A 164 98.772 9.331 8.050 1.00 6.80 O ATOM 880 CB ASP A 164 99.095 8.664 11.271 1.00 7.92 C ATOM 881 CG ASP A 164 98.218 8.218 12.425 1.00 8.46 C ATOM 882 OD1 ASP A 164 98.281 7.027 12.795 1.00 8.87 O ATOM 883 OD2 ASP A 164 97.465 9.061 12.959 1.00 8.71 O ATOM 0 H ASP A 164 100.863 7.862 9.643 1.00 6.82 H new ATOM 0 HA ASP A 164 98.107 7.083 10.201 1.00 7.11 H new ATOM 0 HB2 ASP A 164 100.142 8.521 11.538 1.00 7.92 H new ATOM 0 HB3 ASP A 164 98.952 9.731 11.101 1.00 7.92 H new ATOM 888 N CYS A 165 96.825 9.047 9.144 1.00 6.77 N ATOM 889 CA CYS A 165 96.071 9.912 8.244 1.00 6.61 C ATOM 890 C CYS A 165 96.627 11.328 8.259 1.00 7.27 C ATOM 891 O CYS A 165 96.451 12.068 9.226 1.00 7.79 O ATOM 892 CB CYS A 165 94.594 9.925 8.632 1.00 6.46 C ATOM 893 SG CYS A 165 93.458 10.150 7.224 1.00 5.92 S ATOM 0 H CYS A 165 96.274 8.639 9.899 1.00 6.77 H new ATOM 0 HA CYS A 165 96.168 9.515 7.234 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.353 8.988 9.134 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.425 10.725 9.353 1.00 6.46 H new ATOM 898 N ARG A 166 97.298 11.694 7.176 1.00 7.27 N ATOM 899 CA ARG A 166 97.886 13.023 7.051 1.00 7.93 C ATOM 900 C ARG A 166 96.824 14.055 6.688 1.00 8.10 C ATOM 901 O ARG A 166 96.728 15.100 7.327 1.00 0.00 O ATOM 902 CB ARG A 166 98.991 13.015 5.992 1.00 7.96 C ATOM 903 CG ARG A 166 98.499 12.650 4.602 1.00 7.80 C ATOM 904 CD ARG A 166 99.644 12.574 3.607 1.00 8.18 C ATOM 905 NE ARG A 166 100.612 11.540 3.961 1.00 8.38 N ATOM 906 CZ ARG A 166 101.699 11.266 3.245 1.00 8.69 C ATOM 907 NH1 ARG A 166 101.962 11.948 2.137 1.00 8.85 N ATOM 908 NH2 ARG A 166 102.528 10.309 3.639 1.00 9.07 N ATOM 0 H ARG A 166 97.450 11.089 6.369 1.00 7.27 H new ATOM 0 HA ARG A 166 98.317 13.296 8.014 1.00 7.93 H new ATOM 0 HB2 ARG A 166 99.456 14.000 5.957 1.00 7.96 H new ATOM 0 HB3 ARG A 166 99.765 12.308 6.292 1.00 7.96 H new ATOM 0 HG2 ARG A 166 97.983 11.691 4.638 1.00 7.80 H new ATOM 0 HG3 ARG A 166 97.773 13.390 4.266 1.00 7.80 H new ATOM 0 HD2 ARG A 166 99.246 12.372 2.612 1.00 8.18 H new ATOM 0 HD3 ARG A 166 100.147 13.540 3.559 1.00 8.18 H new ATOM 0 HE ARG A 166 100.445 10.996 4.807 1.00 8.38 H new ATOM 0 HH11 ARG A 166 101.329 12.687 1.830 1.00 8.85 H new ATOM 0 HH12 ARG A 166 102.797 11.733 1.592 1.00 8.85 H new ATOM 0 HH21 ARG A 166 102.332 9.783 4.491 1.00 9.07 H new ATOM 0 HH22 ARG A 166 103.362 10.099 3.090 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.442 -4.145 -1.848 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.562 8.259 5.917 1.00 4.87 ZN