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= -0.155 X(o=-0.15,f=-0.0014) USER MOD Single : A 148 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.2) USER MOD Single : A 150 LYS NZ :NH3+ -161:sc= -1.27 (180deg=-2.08) USER MOD Single : A 152 THR OG1 : rot 170:sc= -2.46 USER MOD Single : A 153 CYS SG : rot -98:sc= -0.489 USER MOD Single : A 155 SER OG : rot 120:sc= -0.565 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 76.325 0.281 9.380 1.00 10.33 N ATOM 2 CA PRO A 108 77.281 -0.339 10.339 1.00 9.87 C ATOM 3 C PRO A 108 78.628 -0.636 9.683 1.00 9.14 C ATOM 4 O PRO A 108 78.746 -1.553 8.868 1.00 9.03 O ATOM 5 CB PRO A 108 76.645 -1.626 10.858 1.00 10.34 C ATOM 6 CG PRO A 108 75.411 -1.785 10.034 1.00 11.01 C ATOM 7 CD PRO A 108 75.033 -0.402 9.562 1.00 10.96 C ATOM 0 HA PRO A 108 77.478 0.354 11.157 1.00 9.87 H new ATOM 0 HB2 PRO A 108 77.315 -2.477 10.739 1.00 10.34 H new ATOM 0 HB3 PRO A 108 76.408 -1.553 11.919 1.00 10.34 H new ATOM 0 HG2 PRO A 108 75.592 -2.448 9.188 1.00 11.01 H new ATOM 0 HG3 PRO A 108 74.607 -2.229 10.621 1.00 11.01 H new ATOM 0 HD2 PRO A 108 74.467 -0.439 8.631 1.00 10.96 H new ATOM 0 HD3 PRO A 108 74.410 0.112 10.293 1.00 10.96 H new ATOM 17 N ARG A 109 79.642 0.145 10.044 1.00 8.91 N ATOM 18 CA ARG A 109 80.978 -0.033 9.492 1.00 8.49 C ATOM 19 C ARG A 109 81.692 -1.207 10.159 1.00 7.86 C ATOM 20 O ARG A 109 82.725 -1.034 10.806 1.00 7.78 O ATOM 21 CB ARG A 109 81.799 1.247 9.664 1.00 8.84 C ATOM 22 CG ARG A 109 82.060 1.610 11.119 1.00 9.50 C ATOM 23 CD ARG A 109 81.688 3.056 11.412 1.00 10.20 C ATOM 24 NE ARG A 109 80.452 3.158 12.183 1.00 10.78 N ATOM 25 CZ ARG A 109 80.089 4.243 12.863 1.00 11.32 C ATOM 26 NH1 ARG A 109 80.865 5.321 12.870 1.00 11.37 N ATOM 27 NH2 ARG A 109 78.948 4.253 13.538 1.00 12.00 N ATOM 0 H ARG A 109 79.562 0.907 10.717 1.00 8.91 H new ATOM 0 HA ARG A 109 80.879 -0.251 8.429 1.00 8.49 H new ATOM 0 HB2 ARG A 109 82.753 1.129 9.150 1.00 8.84 H new ATOM 0 HB3 ARG A 109 81.276 2.072 9.180 1.00 8.84 H new ATOM 0 HG2 ARG A 109 81.487 0.948 11.768 1.00 9.50 H new ATOM 0 HG3 ARG A 109 83.113 1.451 11.351 1.00 9.50 H new ATOM 0 HD2 ARG A 109 82.499 3.535 11.962 1.00 10.20 H new ATOM 0 HD3 ARG A 109 81.576 3.599 10.473 1.00 10.20 H new ATOM 0 HE ARG A 109 79.830 2.350 12.201 1.00 10.78 H new ATOM 0 HH11 ARG A 109 81.744 5.320 12.353 1.00 11.37 H new ATOM 0 HH12 ARG A 109 80.582 6.150 13.393 1.00 11.37 H new ATOM 0 HH21 ARG A 109 78.347 3.429 13.537 1.00 12.00 H new ATOM 0 HH22 ARG A 109 78.671 5.085 14.059 1.00 12.00 H new ATOM 41 N VAL A 110 81.133 -2.401 9.996 1.00 7.68 N ATOM 42 CA VAL A 110 81.714 -3.604 10.580 1.00 7.34 C ATOM 43 C VAL A 110 82.842 -4.149 9.709 1.00 6.54 C ATOM 44 O VAL A 110 83.779 -4.772 10.208 1.00 6.26 O ATOM 45 CB VAL A 110 80.651 -4.702 10.782 1.00 7.82 C ATOM 46 CG1 VAL A 110 80.046 -5.115 9.447 1.00 8.21 C ATOM 47 CG2 VAL A 110 81.249 -5.902 11.501 1.00 8.46 C ATOM 0 H VAL A 110 80.278 -2.562 9.464 1.00 7.68 H new ATOM 0 HA VAL A 110 82.118 -3.321 11.552 1.00 7.34 H new ATOM 0 HB VAL A 110 79.853 -4.297 11.405 1.00 7.82 H new ATOM 0 HG11 VAL A 110 79.298 -5.891 9.611 1.00 8.21 H new ATOM 0 HG12 VAL A 110 79.576 -4.251 8.978 1.00 8.21 H new ATOM 0 HG13 VAL A 110 80.831 -5.499 8.795 1.00 8.21 H new ATOM 0 HG21 VAL A 110 80.483 -6.666 11.634 1.00 8.46 H new ATOM 0 HG22 VAL A 110 82.069 -6.310 10.909 1.00 8.46 H new ATOM 0 HG23 VAL A 110 81.625 -5.592 12.476 1.00 8.46 H new ATOM 57 N LEU A 111 82.744 -3.911 8.405 1.00 6.49 N ATOM 58 CA LEU A 111 83.756 -4.378 7.463 1.00 6.05 C ATOM 59 C LEU A 111 85.134 -3.837 7.830 1.00 5.68 C ATOM 60 O LEU A 111 86.040 -4.599 8.169 1.00 6.10 O ATOM 61 CB LEU A 111 83.391 -3.952 6.040 1.00 6.60 C ATOM 62 CG LEU A 111 82.277 -4.771 5.383 1.00 6.95 C ATOM 63 CD1 LEU A 111 80.917 -4.159 5.686 1.00 7.53 C ATOM 64 CD2 LEU A 111 82.500 -4.864 3.881 1.00 7.37 C ATOM 0 H LEU A 111 81.974 -3.397 7.976 1.00 6.49 H new ATOM 0 HA LEU A 111 83.789 -5.466 7.513 1.00 6.05 H new ATOM 0 HB2 LEU A 111 83.089 -2.905 6.057 1.00 6.60 H new ATOM 0 HB3 LEU A 111 84.284 -4.017 5.418 1.00 6.60 H new ATOM 0 HG LEU A 111 82.299 -5.779 5.796 1.00 6.95 H new ATOM 0 HD11 LEU A 111 80.137 -4.754 5.211 1.00 7.53 H new ATOM 0 HD12 LEU A 111 80.757 -4.144 6.764 1.00 7.53 H new ATOM 0 HD13 LEU A 111 80.882 -3.140 5.300 1.00 7.53 H new ATOM 0 HD21 LEU A 111 81.699 -5.450 3.430 1.00 7.37 H new ATOM 0 HD22 LEU A 111 82.504 -3.862 3.451 1.00 7.37 H new ATOM 0 HD23 LEU A 111 83.457 -5.347 3.684 1.00 7.37 H new ATOM 76 N ALA A 112 85.286 -2.519 7.760 1.00 5.15 N ATOM 77 CA ALA A 112 86.555 -1.877 8.087 1.00 4.90 C ATOM 78 C ALA A 112 86.933 -2.119 9.545 1.00 5.28 C ATOM 79 O ALA A 112 86.280 -1.613 10.457 1.00 5.66 O ATOM 80 CB ALA A 112 86.481 -0.386 7.799 1.00 4.47 C ATOM 0 H ALA A 112 84.547 -1.874 7.480 1.00 5.15 H new ATOM 0 HA ALA A 112 87.330 -2.319 7.460 1.00 4.90 H new ATOM 0 HB1 ALA A 112 87.434 0.080 8.048 1.00 4.47 H new ATOM 0 HB2 ALA A 112 86.265 -0.230 6.742 1.00 4.47 H new ATOM 0 HB3 ALA A 112 85.690 0.062 8.401 1.00 4.47 H new ATOM 86 N GLU A 113 87.989 -2.898 9.756 1.00 5.43 N ATOM 87 CA GLU A 113 88.452 -3.212 11.103 1.00 5.94 C ATOM 88 C GLU A 113 89.537 -2.237 11.554 1.00 6.10 C ATOM 89 O GLU A 113 90.518 -2.634 12.182 1.00 6.17 O ATOM 90 CB GLU A 113 88.983 -4.646 11.158 1.00 6.32 C ATOM 91 CG GLU A 113 88.054 -5.663 10.514 1.00 6.89 C ATOM 92 CD GLU A 113 87.365 -6.550 11.533 1.00 7.44 C ATOM 93 OE1 GLU A 113 87.064 -6.059 12.641 1.00 7.69 O ATOM 94 OE2 GLU A 113 87.125 -7.735 11.221 1.00 7.92 O ATOM 0 H GLU A 113 88.541 -3.324 9.011 1.00 5.43 H new ATOM 0 HA GLU A 113 87.604 -3.117 11.781 1.00 5.94 H new ATOM 0 HB2 GLU A 113 89.952 -4.685 10.661 1.00 6.32 H new ATOM 0 HB3 GLU A 113 89.147 -4.924 12.199 1.00 6.32 H new ATOM 0 HG2 GLU A 113 87.301 -5.140 9.925 1.00 6.89 H new ATOM 0 HG3 GLU A 113 88.624 -6.284 9.823 1.00 6.89 H new ATOM 101 N ARG A 114 89.354 -0.959 11.234 1.00 6.45 N ATOM 102 CA ARG A 114 90.320 0.067 11.609 1.00 6.82 C ATOM 103 C ARG A 114 89.675 1.113 12.514 1.00 6.52 C ATOM 104 O ARG A 114 90.060 1.264 13.673 1.00 6.48 O ATOM 105 CB ARG A 114 90.893 0.741 10.361 1.00 7.39 C ATOM 106 CG ARG A 114 91.901 -0.117 9.613 1.00 8.23 C ATOM 107 CD ARG A 114 93.288 -0.025 10.231 1.00 8.84 C ATOM 108 NE ARG A 114 93.681 1.360 10.498 1.00 9.52 N ATOM 109 CZ ARG A 114 93.619 1.938 11.697 1.00 10.11 C ATOM 110 NH1 ARG A 114 93.175 1.263 12.752 1.00 10.12 N ATOM 111 NH2 ARG A 114 94.000 3.199 11.843 1.00 10.88 N ATOM 0 H ARG A 114 88.547 -0.610 10.717 1.00 6.45 H new ATOM 0 HA ARG A 114 91.130 -0.415 12.156 1.00 6.82 H new ATOM 0 HB2 ARG A 114 90.074 0.995 9.688 1.00 7.39 H new ATOM 0 HB3 ARG A 114 91.370 1.677 10.651 1.00 7.39 H new ATOM 0 HG2 ARG A 114 91.569 -1.155 9.617 1.00 8.23 H new ATOM 0 HG3 ARG A 114 91.945 0.199 8.571 1.00 8.23 H new ATOM 0 HD2 ARG A 114 93.308 -0.593 11.161 1.00 8.84 H new ATOM 0 HD3 ARG A 114 94.014 -0.485 9.561 1.00 8.84 H new ATOM 0 HE ARG A 114 94.024 1.918 9.716 1.00 9.52 H new ATOM 0 HH11 ARG A 114 92.878 0.293 12.648 1.00 10.12 H new ATOM 0 HH12 ARG A 114 93.132 1.715 13.665 1.00 10.12 H new ATOM 0 HH21 ARG A 114 94.340 3.725 11.038 1.00 10.88 H new ATOM 0 HH22 ARG A 114 93.953 3.643 12.760 1.00 10.88 H new ATOM 125 N GLY A 115 88.694 1.830 11.976 1.00 6.59 N ATOM 126 CA GLY A 115 88.013 2.852 12.748 1.00 6.53 C ATOM 127 C GLY A 115 88.641 4.221 12.582 1.00 6.78 C ATOM 128 O GLY A 115 88.338 4.939 11.629 1.00 6.99 O ATOM 0 H GLY A 115 88.359 1.721 11.019 1.00 6.59 H new ATOM 0 HA2 GLY A 115 86.967 2.896 12.443 1.00 6.53 H new ATOM 0 HA3 GLY A 115 88.026 2.575 13.802 1.00 6.53 H new ATOM 132 N GLU A 116 89.519 4.583 13.511 1.00 6.92 N ATOM 133 CA GLU A 116 90.193 5.876 13.465 1.00 7.28 C ATOM 134 C GLU A 116 91.308 5.872 12.425 1.00 7.01 C ATOM 135 O GLU A 116 91.902 4.831 12.141 1.00 7.37 O ATOM 136 CB GLU A 116 90.763 6.227 14.841 1.00 7.73 C ATOM 137 CG GLU A 116 90.974 7.717 15.050 1.00 8.27 C ATOM 138 CD GLU A 116 89.912 8.339 15.935 1.00 8.72 C ATOM 139 OE1 GLU A 116 88.774 8.526 15.456 1.00 9.05 O ATOM 140 OE2 GLU A 116 90.219 8.638 17.109 1.00 8.96 O ATOM 0 H GLU A 116 89.781 3.999 14.305 1.00 6.92 H new ATOM 0 HA GLU A 116 89.459 6.630 13.181 1.00 7.28 H new ATOM 0 HB2 GLU A 116 90.088 5.853 15.611 1.00 7.73 H new ATOM 0 HB3 GLU A 116 91.714 5.712 14.973 1.00 7.73 H new ATOM 0 HG2 GLU A 116 91.955 7.882 15.496 1.00 8.27 H new ATOM 0 HG3 GLU A 116 90.975 8.219 14.083 1.00 8.27 H new ATOM 147 N GLY A 117 91.589 7.041 11.860 1.00 6.59 N ATOM 148 CA GLY A 117 92.633 7.151 10.859 1.00 6.40 C ATOM 149 C GLY A 117 92.132 6.838 9.463 1.00 5.64 C ATOM 150 O GLY A 117 91.076 7.321 9.052 1.00 5.49 O ATOM 0 H GLY A 117 91.111 7.916 12.078 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.044 8.160 10.876 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.447 6.471 11.111 1.00 6.40 H new ATOM 154 N HIS A 118 92.891 6.029 8.731 1.00 5.19 N ATOM 155 CA HIS A 118 92.519 5.651 7.372 1.00 4.46 C ATOM 156 C HIS A 118 91.172 4.940 7.353 1.00 4.06 C ATOM 157 O HIS A 118 91.004 3.893 7.981 1.00 4.20 O ATOM 158 CB HIS A 118 93.589 4.745 6.760 1.00 4.14 C ATOM 159 CG HIS A 118 94.988 5.234 6.969 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.262 6.569 7.139 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.146 4.532 7.023 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.572 6.650 7.292 1.00 4.97 C ATOM 163 NE2 HIS A 118 97.151 5.441 7.229 1.00 4.60 N ATOM 0 H HIS A 118 93.768 5.622 9.056 1.00 5.19 H new ATOM 0 HA HIS A 118 92.439 6.563 6.780 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.495 3.747 7.189 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.403 4.651 5.690 1.00 4.14 H new ATOM 0 HD2 HIS A 118 96.256 3.462 6.923 1.00 4.24 H new ATOM 0 HE1 HIS A 118 97.109 7.574 7.448 1.00 4.97 H new ATOM 0 HE2 HIS A 118 98.147 5.238 7.317 1.00 4.60 H new ATOM 171 N ARG A 119 90.213 5.507 6.628 1.00 3.68 N ATOM 172 CA ARG A 119 88.884 4.914 6.528 1.00 3.29 C ATOM 173 C ARG A 119 88.916 3.677 5.637 1.00 2.55 C ATOM 174 O ARG A 119 88.282 2.667 5.939 1.00 2.42 O ATOM 175 CB ARG A 119 87.881 5.933 5.980 1.00 3.40 C ATOM 176 CG ARG A 119 88.288 6.539 4.647 1.00 3.29 C ATOM 177 CD ARG A 119 87.136 7.300 4.006 1.00 3.67 C ATOM 178 NE ARG A 119 86.446 8.159 4.967 1.00 3.86 N ATOM 179 CZ ARG A 119 85.212 8.628 4.790 1.00 4.35 C ATOM 180 NH1 ARG A 119 84.531 8.326 3.691 1.00 4.64 N ATOM 181 NH2 ARG A 119 84.658 9.401 5.714 1.00 4.88 N ATOM 0 H ARG A 119 90.331 6.373 6.103 1.00 3.68 H new ATOM 0 HA ARG A 119 88.567 4.616 7.527 1.00 3.29 H new ATOM 0 HB2 ARG A 119 86.911 5.449 5.867 1.00 3.40 H new ATOM 0 HB3 ARG A 119 87.755 6.733 6.709 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.133 7.212 4.795 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.623 5.750 3.974 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.515 7.907 3.184 1.00 3.67 H new ATOM 0 HD3 ARG A 119 86.427 6.591 3.578 1.00 3.67 H new ATOM 0 HE ARG A 119 86.938 8.414 5.823 1.00 3.86 H new ATOM 0 HH11 ARG A 119 84.952 7.732 2.977 1.00 4.64 H new ATOM 0 HH12 ARG A 119 83.586 8.688 3.561 1.00 4.64 H new ATOM 0 HH21 ARG A 119 85.177 9.636 6.560 1.00 4.88 H new ATOM 0 HH22 ARG A 119 83.713 9.760 5.579 1.00 4.88 H new ATOM 195 N PHE A 120 89.667 3.764 4.542 1.00 2.20 N ATOM 196 CA PHE A 120 89.794 2.653 3.603 1.00 1.52 C ATOM 197 C PHE A 120 88.430 2.134 3.162 1.00 1.27 C ATOM 198 O PHE A 120 87.758 1.418 3.904 1.00 1.46 O ATOM 199 CB PHE A 120 90.598 1.517 4.234 1.00 1.60 C ATOM 200 CG PHE A 120 92.081 1.758 4.238 1.00 1.77 C ATOM 201 CD1 PHE A 120 92.785 1.851 3.047 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.771 1.892 5.432 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.149 2.074 3.049 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.134 2.115 5.439 1.00 2.70 C ATOM 205 CZ PHE A 120 94.824 2.206 4.246 1.00 2.25 C ATOM 0 H PHE A 120 90.198 4.595 4.283 1.00 2.20 H new ATOM 0 HA PHE A 120 90.317 3.024 2.722 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.260 1.370 5.260 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.390 0.593 3.694 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.262 1.748 2.108 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.237 1.821 6.368 1.00 2.46 H new ATOM 0 HE1 PHE A 120 94.686 2.145 2.115 1.00 1.56 H new ATOM 0 HE2 PHE A 120 94.660 2.218 6.377 1.00 2.70 H new ATOM 0 HZ PHE A 120 95.890 2.380 4.250 1.00 2.25 H new ATOM 215 N VAL A 121 88.027 2.492 1.949 1.00 1.28 N ATOM 216 CA VAL A 121 86.744 2.051 1.415 1.00 1.47 C ATOM 217 C VAL A 121 86.910 0.799 0.560 1.00 1.73 C ATOM 218 O VAL A 121 87.514 0.840 -0.512 1.00 2.05 O ATOM 219 CB VAL A 121 86.071 3.153 0.573 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.551 4.267 1.468 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.036 3.700 -0.467 1.00 2.59 C ATOM 0 H VAL A 121 88.567 3.084 1.318 1.00 1.28 H new ATOM 0 HA VAL A 121 86.107 1.824 2.270 1.00 1.47 H new ATOM 0 HB VAL A 121 85.222 2.714 0.048 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.079 5.036 0.856 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.820 3.861 2.167 1.00 2.26 H new ATOM 0 HG13 VAL A 121 86.380 4.704 2.024 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.541 4.476 -1.050 1.00 2.59 H new ATOM 0 HG22 VAL A 121 87.908 4.122 0.032 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.352 2.894 -1.130 1.00 2.59 H new ATOM 231 N GLU A 122 86.371 -0.316 1.044 1.00 1.96 N ATOM 232 CA GLU A 122 86.459 -1.585 0.329 1.00 2.61 C ATOM 233 C GLU A 122 85.931 -1.452 -1.096 1.00 3.15 C ATOM 234 O GLU A 122 84.804 -1.003 -1.312 1.00 3.31 O ATOM 235 CB GLU A 122 85.679 -2.670 1.075 1.00 3.09 C ATOM 236 CG GLU A 122 86.514 -3.428 2.093 1.00 3.41 C ATOM 237 CD GLU A 122 86.662 -2.679 3.402 1.00 3.75 C ATOM 238 OE1 GLU A 122 86.495 -1.440 3.399 1.00 4.00 O ATOM 239 OE2 GLU A 122 86.945 -3.328 4.430 1.00 4.17 O ATOM 0 H GLU A 122 85.868 -0.366 1.930 1.00 1.96 H new ATOM 0 HA GLU A 122 87.510 -1.869 0.279 1.00 2.61 H new ATOM 0 HB2 GLU A 122 84.830 -2.212 1.583 1.00 3.09 H new ATOM 0 HB3 GLU A 122 85.274 -3.377 0.351 1.00 3.09 H new ATOM 0 HG2 GLU A 122 86.054 -4.398 2.284 1.00 3.41 H new ATOM 0 HG3 GLU A 122 87.502 -3.620 1.675 1.00 3.41 H new ATOM 246 N LEU A 123 86.752 -1.845 -2.064 1.00 3.56 N ATOM 247 CA LEU A 123 86.372 -1.770 -3.467 1.00 4.25 C ATOM 248 C LEU A 123 86.083 -3.163 -4.022 1.00 4.92 C ATOM 249 O LEU A 123 86.946 -4.041 -4.000 1.00 5.12 O ATOM 250 CB LEU A 123 87.485 -1.095 -4.275 1.00 4.48 C ATOM 251 CG LEU A 123 87.380 -1.246 -5.792 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.212 -0.435 -6.331 1.00 5.51 C ATOM 253 CD2 LEU A 123 88.680 -0.820 -6.459 1.00 5.24 C ATOM 0 H LEU A 123 87.687 -2.219 -1.900 1.00 3.56 H new ATOM 0 HA LEU A 123 85.463 -1.174 -3.550 1.00 4.25 H new ATOM 0 HB2 LEU A 123 87.493 -0.032 -4.033 1.00 4.48 H new ATOM 0 HB3 LEU A 123 88.443 -1.503 -3.952 1.00 4.48 H new ATOM 0 HG LEU A 123 87.202 -2.296 -6.022 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.154 -0.555 -7.413 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.285 -0.785 -5.877 1.00 5.51 H new ATOM 0 HD13 LEU A 123 86.358 0.618 -6.091 1.00 5.51 H new ATOM 0 HD21 LEU A 123 88.589 -0.934 -7.539 1.00 5.24 H new ATOM 0 HD22 LEU A 123 88.887 0.223 -6.220 1.00 5.24 H new ATOM 0 HD23 LEU A 123 89.497 -1.444 -6.096 1.00 5.24 H new ATOM 265 N ALA A 124 84.866 -3.357 -4.519 1.00 5.38 N ATOM 266 CA ALA A 124 84.468 -4.643 -5.079 1.00 6.08 C ATOM 267 C ALA A 124 85.189 -4.911 -6.397 1.00 6.69 C ATOM 268 O ALA A 124 85.243 -4.046 -7.271 1.00 7.13 O ATOM 269 CB ALA A 124 82.961 -4.687 -5.281 1.00 6.38 C ATOM 0 H ALA A 124 84.140 -2.641 -4.545 1.00 5.38 H new ATOM 0 HA ALA A 124 84.751 -5.424 -4.373 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.678 -5.653 -5.700 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.461 -4.546 -4.323 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.662 -3.893 -5.966 1.00 6.38 H new ATOM 275 N LEU A 125 85.744 -6.111 -6.530 1.00 6.81 N ATOM 276 CA LEU A 125 86.463 -6.486 -7.743 1.00 7.42 C ATOM 277 C LEU A 125 85.567 -7.287 -8.686 1.00 8.16 C ATOM 278 O LEU A 125 86.049 -8.109 -9.464 1.00 8.46 O ATOM 279 CB LEU A 125 87.712 -7.297 -7.388 1.00 7.36 C ATOM 280 CG LEU A 125 89.038 -6.555 -7.582 1.00 6.97 C ATOM 281 CD1 LEU A 125 89.514 -5.958 -6.266 1.00 6.96 C ATOM 282 CD2 LEU A 125 90.093 -7.487 -8.159 1.00 7.07 C ATOM 0 H LEU A 125 85.710 -6.838 -5.816 1.00 6.81 H new ATOM 0 HA LEU A 125 86.765 -5.572 -8.254 1.00 7.42 H new ATOM 0 HB2 LEU A 125 87.638 -7.614 -6.348 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.726 -8.201 -7.997 1.00 7.36 H new ATOM 0 HG LEU A 125 88.876 -5.741 -8.289 1.00 6.97 H new ATOM 0 HD11 LEU A 125 90.457 -5.435 -6.424 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.768 -5.256 -5.894 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.659 -6.755 -5.536 1.00 6.96 H new ATOM 0 HD21 LEU A 125 91.028 -6.942 -8.290 1.00 7.07 H new ATOM 0 HD22 LEU A 125 90.252 -8.323 -7.477 1.00 7.07 H new ATOM 0 HD23 LEU A 125 89.756 -7.865 -9.124 1.00 7.07 H new ATOM 294 N ARG A 126 84.263 -7.038 -8.613 1.00 8.60 N ATOM 295 CA ARG A 126 83.306 -7.735 -9.465 1.00 9.37 C ATOM 296 C ARG A 126 83.063 -6.951 -10.751 1.00 9.91 C ATOM 297 O ARG A 126 82.013 -6.330 -10.924 1.00 10.39 O ATOM 298 CB ARG A 126 81.987 -7.946 -8.722 1.00 9.55 C ATOM 299 CG ARG A 126 81.155 -9.093 -9.273 1.00 9.90 C ATOM 300 CD ARG A 126 81.844 -10.431 -9.066 1.00 10.24 C ATOM 301 NE ARG A 126 81.008 -11.550 -9.496 1.00 10.60 N ATOM 302 CZ ARG A 126 80.854 -11.915 -10.767 1.00 11.07 C ATOM 303 NH1 ARG A 126 81.477 -11.253 -11.734 1.00 11.25 N ATOM 304 NH2 ARG A 126 80.076 -12.943 -11.072 1.00 11.57 N ATOM 0 H ARG A 126 83.846 -6.361 -7.974 1.00 8.60 H new ATOM 0 HA ARG A 126 83.723 -8.708 -9.724 1.00 9.37 H new ATOM 0 HB2 ARG A 126 82.199 -8.135 -7.669 1.00 9.55 H new ATOM 0 HB3 ARG A 126 81.402 -7.028 -8.770 1.00 9.55 H new ATOM 0 HG2 ARG A 126 80.181 -9.105 -8.784 1.00 9.90 H new ATOM 0 HG3 ARG A 126 80.976 -8.936 -10.337 1.00 9.90 H new ATOM 0 HD2 ARG A 126 82.782 -10.445 -9.621 1.00 10.24 H new ATOM 0 HD3 ARG A 126 82.095 -10.550 -8.012 1.00 10.24 H new ATOM 0 HE ARG A 126 80.514 -12.083 -8.780 1.00 10.60 H new ATOM 0 HH11 ARG A 126 82.077 -10.461 -11.505 1.00 11.25 H new ATOM 0 HH12 ARG A 126 81.356 -11.537 -12.706 1.00 11.25 H new ATOM 0 HH21 ARG A 126 79.595 -13.455 -10.333 1.00 11.57 H new ATOM 0 HH22 ARG A 126 79.958 -13.222 -12.046 1.00 11.57 H new ATOM 318 N GLY A 127 84.043 -6.979 -11.647 1.00 9.94 N ATOM 319 CA GLY A 127 83.922 -6.266 -12.905 1.00 10.50 C ATOM 320 C GLY A 127 84.804 -5.033 -12.954 1.00 10.13 C ATOM 321 O GLY A 127 84.515 -4.081 -13.680 1.00 10.47 O ATOM 0 H GLY A 127 84.921 -7.484 -11.524 1.00 9.94 H new ATOM 0 HA2 GLY A 127 84.188 -6.933 -13.725 1.00 10.50 H new ATOM 0 HA3 GLY A 127 82.883 -5.973 -13.056 1.00 10.50 H new ATOM 325 N GLY A 128 85.884 -5.049 -12.178 1.00 9.48 N ATOM 326 CA GLY A 128 86.796 -3.923 -12.146 1.00 9.18 C ATOM 327 C GLY A 128 88.015 -4.191 -11.284 1.00 8.58 C ATOM 328 O GLY A 128 87.976 -3.983 -10.071 1.00 8.03 O ATOM 0 H GLY A 128 86.143 -5.825 -11.569 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.116 -3.689 -13.161 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.272 -3.045 -11.767 1.00 9.18 H new ATOM 332 N PRO A 129 89.124 -4.657 -11.885 1.00 8.71 N ATOM 333 CA PRO A 129 90.357 -4.951 -11.147 1.00 8.20 C ATOM 334 C PRO A 129 90.814 -3.778 -10.290 1.00 7.43 C ATOM 335 O PRO A 129 90.151 -2.744 -10.224 1.00 7.36 O ATOM 336 CB PRO A 129 91.379 -5.227 -12.252 1.00 8.64 C ATOM 337 CG PRO A 129 90.571 -5.666 -13.423 1.00 9.37 C ATOM 338 CD PRO A 129 89.260 -4.934 -13.327 1.00 9.42 C ATOM 0 HA PRO A 129 90.223 -5.780 -10.452 1.00 8.20 H new ATOM 0 HB2 PRO A 129 91.959 -4.334 -12.485 1.00 8.64 H new ATOM 0 HB3 PRO A 129 92.088 -5.998 -11.950 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.080 -5.431 -14.358 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.416 -6.745 -13.407 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.270 -4.015 -13.913 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.434 -5.540 -13.699 1.00 9.42 H new ATOM 346 N GLY A 130 91.961 -3.948 -9.645 1.00 6.90 N ATOM 347 CA GLY A 130 92.512 -2.907 -8.808 1.00 6.16 C ATOM 348 C GLY A 130 94.020 -2.974 -8.792 1.00 5.90 C ATOM 349 O GLY A 130 94.594 -4.059 -8.845 1.00 6.04 O ATOM 0 H GLY A 130 92.522 -4.798 -9.690 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.191 -1.932 -9.174 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.128 -3.009 -7.793 1.00 6.16 H new ATOM 353 N TRP A 131 94.671 -1.825 -8.745 1.00 5.60 N ATOM 354 CA TRP A 131 96.124 -1.787 -8.748 1.00 5.39 C ATOM 355 C TRP A 131 96.667 -1.241 -7.434 1.00 4.56 C ATOM 356 O TRP A 131 96.422 -0.089 -7.076 1.00 4.36 O ATOM 357 CB TRP A 131 96.613 -0.949 -9.925 1.00 5.91 C ATOM 358 CG TRP A 131 96.387 -1.613 -11.251 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.224 -2.172 -11.699 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.347 -1.789 -12.299 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.401 -2.687 -12.960 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.697 -2.463 -13.352 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.692 -1.441 -12.451 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.347 -2.795 -14.537 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.337 -1.772 -13.628 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.664 -2.442 -14.658 1.00 8.26 C ATOM 0 H TRP A 131 94.221 -0.911 -8.705 1.00 5.60 H new ATOM 0 HA TRP A 131 96.497 -2.806 -8.856 1.00 5.39 H new ATOM 0 HB2 TRP A 131 96.102 0.014 -9.915 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.677 -0.747 -9.803 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.299 -2.204 -11.142 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.686 -3.159 -13.514 1.00 7.84 H new ATOM 0 HE3 TRP A 131 99.218 -0.923 -11.663 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.831 -3.312 -15.332 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.377 -1.510 -13.756 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.195 -2.685 -15.566 1.00 8.26 H new ATOM 377 N CYS A 132 97.402 -2.087 -6.717 1.00 4.17 N ATOM 378 CA CYS A 132 97.986 -1.711 -5.434 1.00 3.38 C ATOM 379 C CYS A 132 98.875 -0.480 -5.571 1.00 3.29 C ATOM 380 O CYS A 132 100.087 -0.595 -5.752 1.00 3.32 O ATOM 381 CB CYS A 132 98.794 -2.878 -4.870 1.00 3.20 C ATOM 382 SG CYS A 132 99.344 -2.645 -3.151 1.00 2.31 S ATOM 0 H CYS A 132 97.608 -3.043 -7.006 1.00 4.17 H new ATOM 0 HA CYS A 132 97.174 -1.466 -4.749 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.190 -3.784 -4.927 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.669 -3.038 -5.501 1.00 3.20 H new ATOM 387 N ASP A 133 98.265 0.700 -5.480 1.00 3.33 N ATOM 388 CA ASP A 133 98.999 1.958 -5.589 1.00 3.56 C ATOM 389 C ASP A 133 100.257 1.935 -4.725 1.00 3.14 C ATOM 390 O ASP A 133 101.260 2.572 -5.049 1.00 3.53 O ATOM 391 CB ASP A 133 98.103 3.126 -5.177 1.00 3.65 C ATOM 392 CG ASP A 133 96.873 3.249 -6.055 1.00 4.03 C ATOM 393 OD1 ASP A 133 97.024 3.608 -7.243 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.758 2.988 -5.555 1.00 3.89 O ATOM 0 H ASP A 133 97.262 0.811 -5.331 1.00 3.33 H new ATOM 0 HA ASP A 133 99.301 2.086 -6.628 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.794 2.995 -4.140 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.674 4.053 -5.225 1.00 3.65 H new ATOM 399 N LEU A 134 100.193 1.193 -3.626 1.00 2.45 N ATOM 400 CA LEU A 134 101.321 1.074 -2.711 1.00 2.10 C ATOM 401 C LEU A 134 102.485 0.357 -3.390 1.00 2.27 C ATOM 402 O LEU A 134 103.606 0.865 -3.428 1.00 2.50 O ATOM 403 CB LEU A 134 100.874 0.326 -1.444 1.00 1.47 C ATOM 404 CG LEU A 134 101.956 -0.476 -0.708 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.542 0.337 0.435 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.380 -1.786 -0.193 1.00 1.35 C ATOM 0 H LEU A 134 99.368 0.663 -3.346 1.00 2.45 H new ATOM 0 HA LEU A 134 101.665 2.069 -2.428 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.455 1.053 -0.748 1.00 1.47 H new ATOM 0 HB3 LEU A 134 100.069 -0.356 -1.716 1.00 1.47 H new ATOM 0 HG LEU A 134 102.759 -0.701 -1.410 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.307 -0.249 0.944 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.987 1.250 0.041 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.752 0.594 1.141 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.157 -2.346 0.327 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.561 -1.578 0.495 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.009 -2.375 -1.032 1.00 1.35 H new ATOM 418 N CYS A 135 102.210 -0.829 -3.923 1.00 2.35 N ATOM 419 CA CYS A 135 103.229 -1.624 -4.601 1.00 2.66 C ATOM 420 C CYS A 135 103.226 -1.347 -6.101 1.00 3.37 C ATOM 421 O CYS A 135 104.177 -0.783 -6.640 1.00 3.63 O ATOM 422 CB CYS A 135 102.997 -3.117 -4.348 1.00 2.75 C ATOM 423 SG CYS A 135 102.543 -3.527 -2.631 1.00 2.27 S ATOM 0 H CYS A 135 101.287 -1.262 -3.899 1.00 2.35 H new ATOM 0 HA CYS A 135 104.201 -1.341 -4.197 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.208 -3.468 -5.013 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.903 -3.663 -4.612 1.00 2.75 H new ATOM 428 N GLY A 136 102.149 -1.750 -6.770 1.00 3.77 N ATOM 429 CA GLY A 136 102.041 -1.536 -8.201 1.00 4.51 C ATOM 430 C GLY A 136 101.434 -2.723 -8.929 1.00 5.01 C ATOM 431 O GLY A 136 101.060 -2.614 -10.097 1.00 5.65 O ATOM 0 H GLY A 136 101.350 -2.221 -6.346 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.432 -0.651 -8.387 1.00 4.51 H new ATOM 0 HA3 GLY A 136 103.031 -1.333 -8.609 1.00 4.51 H new ATOM 435 N ARG A 137 101.334 -3.858 -8.241 1.00 4.84 N ATOM 436 CA ARG A 137 100.769 -5.064 -8.838 1.00 5.43 C ATOM 437 C ARG A 137 99.245 -4.994 -8.867 1.00 5.63 C ATOM 438 O ARG A 137 98.654 -3.968 -8.531 1.00 5.30 O ATOM 439 CB ARG A 137 101.217 -6.301 -8.057 1.00 5.35 C ATOM 440 CG ARG A 137 102.721 -6.390 -7.869 1.00 5.18 C ATOM 441 CD ARG A 137 103.428 -6.724 -9.172 1.00 5.55 C ATOM 442 NE ARG A 137 103.605 -5.544 -10.016 1.00 5.46 N ATOM 443 CZ ARG A 137 104.383 -5.514 -11.095 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.058 -6.595 -11.466 1.00 6.61 N ATOM 445 NH2 ARG A 137 104.487 -4.400 -11.808 1.00 6.15 N ATOM 0 H ARG A 137 101.636 -3.967 -7.273 1.00 4.84 H new ATOM 0 HA ARG A 137 101.132 -5.137 -9.863 1.00 5.43 H new ATOM 0 HB2 ARG A 137 100.737 -6.296 -7.079 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.871 -7.194 -8.578 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.097 -5.443 -7.483 1.00 5.18 H new ATOM 0 HG3 ARG A 137 102.951 -7.152 -7.124 1.00 5.18 H new ATOM 0 HD2 ARG A 137 104.401 -7.163 -8.954 1.00 5.55 H new ATOM 0 HD3 ARG A 137 102.853 -7.475 -9.714 1.00 5.55 H new ATOM 0 HE ARG A 137 103.102 -4.693 -9.763 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.982 -7.455 -10.923 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.653 -6.566 -12.294 1.00 6.61 H new ATOM 0 HH21 ARG A 137 103.970 -3.566 -11.529 1.00 6.15 H new ATOM 0 HH22 ARG A 137 105.084 -4.378 -12.635 1.00 6.15 H new ATOM 459 N GLU A 138 98.617 -6.092 -9.272 1.00 6.20 N ATOM 460 CA GLU A 138 97.163 -6.159 -9.344 1.00 6.47 C ATOM 461 C GLU A 138 96.578 -6.681 -8.036 1.00 6.14 C ATOM 462 O GLU A 138 97.086 -7.642 -7.459 1.00 6.19 O ATOM 463 CB GLU A 138 96.728 -7.056 -10.505 1.00 7.34 C ATOM 464 CG GLU A 138 97.304 -8.460 -10.437 1.00 8.03 C ATOM 465 CD GLU A 138 98.565 -8.612 -11.266 1.00 8.64 C ATOM 466 OE1 GLU A 138 98.451 -8.747 -12.502 1.00 9.02 O ATOM 467 OE2 GLU A 138 99.667 -8.599 -10.678 1.00 8.93 O ATOM 0 H GLU A 138 99.093 -6.948 -9.556 1.00 6.20 H new ATOM 0 HA GLU A 138 96.786 -5.150 -9.514 1.00 6.47 H new ATOM 0 HB2 GLU A 138 95.640 -7.119 -10.517 1.00 7.34 H new ATOM 0 HB3 GLU A 138 97.031 -6.593 -11.444 1.00 7.34 H new ATOM 0 HG2 GLU A 138 97.524 -8.709 -9.399 1.00 8.03 H new ATOM 0 HG3 GLU A 138 96.556 -9.173 -10.785 1.00 8.03 H new ATOM 474 N VAL A 139 95.510 -6.040 -7.576 1.00 5.87 N ATOM 475 CA VAL A 139 94.857 -6.437 -6.335 1.00 5.60 C ATOM 476 C VAL A 139 93.645 -7.324 -6.608 1.00 6.26 C ATOM 477 O VAL A 139 92.695 -6.911 -7.271 1.00 6.56 O ATOM 478 CB VAL A 139 94.429 -5.205 -5.509 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.606 -4.261 -5.314 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.265 -4.482 -6.173 1.00 5.14 C ATOM 0 H VAL A 139 95.078 -5.243 -8.044 1.00 5.87 H new ATOM 0 HA VAL A 139 95.584 -7.008 -5.757 1.00 5.60 H new ATOM 0 HB VAL A 139 94.096 -5.550 -4.530 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.287 -3.398 -4.730 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.406 -4.781 -4.787 1.00 4.29 H new ATOM 0 HG13 VAL A 139 95.970 -3.927 -6.286 1.00 4.29 H new ATOM 0 HG21 VAL A 139 92.983 -3.618 -5.571 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.563 -4.150 -7.168 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.415 -5.160 -6.256 1.00 5.14 H new ATOM 490 N LEU A 140 93.692 -8.550 -6.094 1.00 6.55 N ATOM 491 CA LEU A 140 92.601 -9.500 -6.283 1.00 7.22 C ATOM 492 C LEU A 140 91.580 -9.393 -5.156 1.00 6.99 C ATOM 493 O LEU A 140 90.398 -9.149 -5.398 1.00 7.24 O ATOM 494 CB LEU A 140 93.149 -10.928 -6.355 1.00 7.76 C ATOM 495 CG LEU A 140 94.422 -11.093 -7.187 1.00 8.26 C ATOM 496 CD1 LEU A 140 95.261 -12.244 -6.654 1.00 8.62 C ATOM 497 CD2 LEU A 140 94.074 -11.320 -8.652 1.00 8.78 C ATOM 0 H LEU A 140 94.473 -8.908 -5.544 1.00 6.55 H new ATOM 0 HA LEU A 140 92.103 -9.259 -7.222 1.00 7.22 H new ATOM 0 HB2 LEU A 140 93.348 -11.276 -5.341 1.00 7.76 H new ATOM 0 HB3 LEU A 140 92.377 -11.577 -6.768 1.00 7.76 H new ATOM 0 HG LEU A 140 95.007 -10.176 -7.109 1.00 8.26 H new ATOM 0 HD11 LEU A 140 96.163 -12.347 -7.258 1.00 8.62 H new ATOM 0 HD12 LEU A 140 95.538 -12.043 -5.619 1.00 8.62 H new ATOM 0 HD13 LEU A 140 94.684 -13.168 -6.703 1.00 8.62 H new ATOM 0 HD21 LEU A 140 94.991 -11.435 -9.230 1.00 8.78 H new ATOM 0 HD22 LEU A 140 93.469 -12.222 -8.747 1.00 8.78 H new ATOM 0 HD23 LEU A 140 93.512 -10.465 -9.029 1.00 8.78 H new ATOM 509 N ARG A 141 92.042 -9.581 -3.924 1.00 6.56 N ATOM 510 CA ARG A 141 91.169 -9.508 -2.759 1.00 6.36 C ATOM 511 C ARG A 141 90.492 -8.143 -2.669 1.00 5.74 C ATOM 512 O ARG A 141 90.655 -7.299 -3.550 1.00 5.48 O ATOM 513 CB ARG A 141 91.962 -9.784 -1.480 1.00 6.20 C ATOM 514 CG ARG A 141 91.279 -10.764 -0.541 1.00 6.87 C ATOM 515 CD ARG A 141 91.509 -10.395 0.918 1.00 7.11 C ATOM 516 NE ARG A 141 92.369 -11.362 1.596 1.00 7.57 N ATOM 517 CZ ARG A 141 92.035 -12.634 1.807 1.00 8.00 C ATOM 518 NH1 ARG A 141 90.860 -13.094 1.396 1.00 8.08 N ATOM 519 NH2 ARG A 141 92.876 -13.445 2.430 1.00 8.60 N ATOM 0 H ARG A 141 93.017 -9.785 -3.707 1.00 6.56 H new ATOM 0 HA ARG A 141 90.397 -10.269 -2.869 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.944 -10.175 -1.748 1.00 6.20 H new ATOM 0 HB3 ARG A 141 92.126 -8.844 -0.954 1.00 6.20 H new ATOM 0 HG2 ARG A 141 90.209 -10.782 -0.748 1.00 6.87 H new ATOM 0 HG3 ARG A 141 91.656 -11.770 -0.726 1.00 6.87 H new ATOM 0 HD2 ARG A 141 91.961 -9.405 0.975 1.00 7.11 H new ATOM 0 HD3 ARG A 141 90.550 -10.338 1.433 1.00 7.11 H new ATOM 0 HE ARG A 141 93.280 -11.044 1.928 1.00 7.57 H new ATOM 0 HH11 ARG A 141 90.209 -12.473 0.916 1.00 8.08 H new ATOM 0 HH12 ARG A 141 90.608 -14.069 1.560 1.00 8.08 H new ATOM 0 HH21 ARG A 141 93.780 -13.096 2.748 1.00 8.60 H new ATOM 0 HH22 ARG A 141 92.620 -14.419 2.591 1.00 8.60 H new ATOM 533 N GLN A 142 89.731 -7.935 -1.600 1.00 5.55 N ATOM 534 CA GLN A 142 89.029 -6.674 -1.394 1.00 4.97 C ATOM 535 C GLN A 142 90.010 -5.551 -1.072 1.00 4.20 C ATOM 536 O GLN A 142 90.324 -5.301 0.091 1.00 3.88 O ATOM 537 CB GLN A 142 88.004 -6.815 -0.266 1.00 4.98 C ATOM 538 CG GLN A 142 86.564 -6.850 -0.754 1.00 5.49 C ATOM 539 CD GLN A 142 85.660 -7.656 0.158 1.00 6.00 C ATOM 540 OE1 GLN A 142 84.684 -7.136 0.699 1.00 6.30 O ATOM 541 NE2 GLN A 142 85.980 -8.933 0.332 1.00 6.42 N ATOM 0 H GLN A 142 89.585 -8.624 -0.862 1.00 5.55 H new ATOM 0 HA GLN A 142 88.508 -6.421 -2.318 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.212 -7.728 0.291 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.124 -5.984 0.429 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.184 -5.831 -0.828 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.534 -7.275 -1.757 1.00 5.49 H new ATOM 0 HE21 GLN A 142 86.798 -9.322 -0.136 1.00 6.42 H new ATOM 0 HE22 GLN A 142 85.408 -9.525 0.934 1.00 6.42 H new ATOM 550 N ALA A 143 90.490 -4.876 -2.112 1.00 4.01 N ATOM 551 CA ALA A 143 91.434 -3.776 -1.943 1.00 3.31 C ATOM 552 C ALA A 143 90.842 -2.680 -1.064 1.00 2.66 C ATOM 553 O ALA A 143 89.644 -2.408 -1.115 1.00 2.78 O ATOM 554 CB ALA A 143 91.829 -3.212 -3.298 1.00 3.47 C ATOM 0 H ALA A 143 90.241 -5.072 -3.082 1.00 4.01 H new ATOM 0 HA ALA A 143 92.325 -4.162 -1.448 1.00 3.31 H new ATOM 0 HB1 ALA A 143 92.534 -2.392 -3.159 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.296 -3.995 -3.896 1.00 3.47 H new ATOM 0 HB3 ALA A 143 90.941 -2.844 -3.812 1.00 3.47 H new ATOM 560 N LEU A 144 91.692 -2.053 -0.259 1.00 2.03 N ATOM 561 CA LEU A 144 91.254 -0.984 0.631 1.00 1.43 C ATOM 562 C LEU A 144 91.701 0.374 0.098 1.00 1.04 C ATOM 563 O LEU A 144 92.897 0.659 0.027 1.00 0.81 O ATOM 564 CB LEU A 144 91.810 -1.209 2.038 1.00 1.45 C ATOM 565 CG LEU A 144 91.161 -2.362 2.809 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.214 -3.162 3.564 1.00 2.76 C ATOM 567 CD2 LEU A 144 90.102 -1.838 3.766 1.00 2.25 C ATOM 0 H LEU A 144 92.688 -2.266 -0.204 1.00 2.03 H new ATOM 0 HA LEU A 144 90.165 -0.995 0.676 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.881 -1.397 1.964 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.687 -0.291 2.613 1.00 1.45 H new ATOM 0 HG LEU A 144 90.677 -3.023 2.090 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.733 -3.977 4.105 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.935 -3.572 2.857 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.728 -2.511 4.271 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.653 -2.673 4.304 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.562 -1.153 4.478 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.331 -1.312 3.203 1.00 2.25 H new ATOM 579 N ARG A 145 90.736 1.204 -0.288 1.00 1.33 N ATOM 580 CA ARG A 145 91.037 2.524 -0.831 1.00 1.75 C ATOM 581 C ARG A 145 90.758 3.619 0.189 1.00 1.84 C ATOM 582 O ARG A 145 89.613 4.037 0.368 1.00 2.07 O ATOM 583 CB ARG A 145 90.215 2.781 -2.098 1.00 2.50 C ATOM 584 CG ARG A 145 89.810 1.518 -2.842 1.00 3.14 C ATOM 585 CD ARG A 145 89.123 1.844 -4.158 1.00 3.82 C ATOM 586 NE ARG A 145 87.745 2.287 -3.957 1.00 4.39 N ATOM 587 CZ ARG A 145 87.043 2.963 -4.866 1.00 4.96 C ATOM 588 NH1 ARG A 145 87.586 3.272 -6.037 1.00 5.14 N ATOM 589 NH2 ARG A 145 85.796 3.326 -4.603 1.00 5.67 N ATOM 0 H ARG A 145 89.741 0.986 -0.235 1.00 1.33 H new ATOM 0 HA ARG A 145 92.099 2.544 -1.078 1.00 1.75 H new ATOM 0 HB2 ARG A 145 89.316 3.335 -1.829 1.00 2.50 H new ATOM 0 HB3 ARG A 145 90.792 3.416 -2.770 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.693 0.908 -3.032 1.00 3.14 H new ATOM 0 HG3 ARG A 145 89.141 0.925 -2.218 1.00 3.14 H new ATOM 0 HD2 ARG A 145 89.683 2.622 -4.677 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.131 0.963 -4.800 1.00 3.82 H new ATOM 0 HE ARG A 145 87.294 2.066 -3.069 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.545 2.992 -6.244 1.00 5.14 H new ATOM 0 HH12 ARG A 145 87.045 3.790 -6.729 1.00 5.14 H new ATOM 0 HH21 ARG A 145 85.374 3.088 -3.705 1.00 5.67 H new ATOM 0 HH22 ARG A 145 85.258 3.843 -5.298 1.00 5.67 H new ATOM 603 N CYS A 146 91.808 4.090 0.850 1.00 1.92 N ATOM 604 CA CYS A 146 91.667 5.144 1.842 1.00 2.46 C ATOM 605 C CYS A 146 91.632 6.508 1.158 1.00 3.20 C ATOM 606 O CYS A 146 92.657 7.176 1.030 1.00 3.63 O ATOM 607 CB CYS A 146 92.818 5.075 2.851 1.00 2.60 C ATOM 608 SG CYS A 146 93.041 6.575 3.865 1.00 3.57 S ATOM 0 H CYS A 146 92.763 3.759 0.716 1.00 1.92 H new ATOM 0 HA CYS A 146 90.729 5.003 2.378 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.650 4.227 3.515 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.744 4.878 2.311 1.00 2.60 H new ATOM 613 N ALA A 147 90.445 6.908 0.717 1.00 3.42 N ATOM 614 CA ALA A 147 90.270 8.188 0.040 1.00 4.19 C ATOM 615 C ALA A 147 90.595 9.367 0.959 1.00 4.75 C ATOM 616 O ALA A 147 90.637 10.514 0.513 1.00 5.41 O ATOM 617 CB ALA A 147 88.850 8.308 -0.494 1.00 4.35 C ATOM 0 H ALA A 147 89.588 6.364 0.816 1.00 3.42 H new ATOM 0 HA ALA A 147 90.971 8.221 -0.794 1.00 4.19 H new ATOM 0 HB1 ALA A 147 88.730 9.267 -0.997 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.658 7.501 -1.201 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.143 8.242 0.333 1.00 4.35 H new ATOM 623 N ASN A 148 90.823 9.086 2.240 1.00 4.58 N ATOM 624 CA ASN A 148 91.141 10.132 3.202 1.00 5.23 C ATOM 625 C ASN A 148 92.519 10.733 2.935 1.00 5.62 C ATOM 626 O ASN A 148 92.774 11.887 3.279 1.00 6.29 O ATOM 627 CB ASN A 148 91.079 9.582 4.628 1.00 5.11 C ATOM 628 CG ASN A 148 89.675 9.621 5.201 1.00 5.34 C ATOM 629 OD1 ASN A 148 88.708 9.891 4.489 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.557 9.351 6.496 1.00 5.41 N ATOM 0 H ASN A 148 90.793 8.145 2.632 1.00 4.58 H new ATOM 0 HA ASN A 148 90.398 10.922 3.090 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.443 8.555 4.635 1.00 5.11 H new ATOM 0 HB3 ASN A 148 91.746 10.161 5.267 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.638 9.362 6.938 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.386 9.132 7.049 1.00 5.41 H new ATOM 637 N CYS A 149 93.408 9.954 2.320 1.00 5.21 N ATOM 638 CA CYS A 149 94.750 10.441 2.021 1.00 5.54 C ATOM 639 C CYS A 149 95.549 9.419 1.217 1.00 5.02 C ATOM 640 O CYS A 149 96.178 9.761 0.215 1.00 5.26 O ATOM 641 CB CYS A 149 95.491 10.776 3.316 1.00 5.86 C ATOM 642 SG CYS A 149 95.330 9.509 4.617 1.00 5.35 S ATOM 0 H CYS A 149 93.225 8.995 2.023 1.00 5.21 H new ATOM 0 HA CYS A 149 94.649 11.343 1.417 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.548 10.917 3.091 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.117 11.725 3.700 1.00 5.86 H new ATOM 647 N LYS A 150 95.529 8.168 1.664 1.00 4.33 N ATOM 648 CA LYS A 150 96.264 7.107 0.985 1.00 3.79 C ATOM 649 C LYS A 150 95.594 6.734 -0.344 1.00 3.60 C ATOM 650 O LYS A 150 95.110 7.607 -1.064 1.00 4.14 O ATOM 651 CB LYS A 150 96.388 5.885 1.901 1.00 3.18 C ATOM 652 CG LYS A 150 96.770 6.230 3.331 1.00 3.63 C ATOM 653 CD LYS A 150 97.788 5.247 3.890 1.00 3.46 C ATOM 654 CE LYS A 150 99.202 5.605 3.462 1.00 3.65 C ATOM 655 NZ LYS A 150 99.431 5.332 2.017 1.00 3.87 N ATOM 0 H LYS A 150 95.014 7.864 2.490 1.00 4.33 H new ATOM 0 HA LYS A 150 97.265 7.472 0.755 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.439 5.349 1.907 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.135 5.207 1.488 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.180 7.239 3.365 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.878 6.227 3.958 1.00 3.63 H new ATOM 0 HD2 LYS A 150 97.727 5.238 4.978 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.548 4.240 3.549 1.00 3.46 H new ATOM 0 HE2 LYS A 150 99.387 6.660 3.666 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.916 5.036 4.057 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.453 5.276 1.832 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 98.983 4.430 1.759 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.018 6.099 1.449 1.00 3.87 H new ATOM 669 N PHE A 151 95.579 5.443 -0.671 1.00 2.95 N ATOM 670 CA PHE A 151 94.983 4.975 -1.921 1.00 2.98 C ATOM 671 C PHE A 151 94.531 3.517 -1.797 1.00 2.28 C ATOM 672 O PHE A 151 94.441 2.983 -0.690 1.00 1.66 O ATOM 673 CB PHE A 151 95.992 5.127 -3.068 1.00 3.44 C ATOM 674 CG PHE A 151 97.420 4.898 -2.650 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.747 3.863 -1.790 1.00 3.47 C ATOM 676 CD2 PHE A 151 98.432 5.720 -3.120 1.00 3.36 C ATOM 677 CE1 PHE A 151 99.057 3.651 -1.405 1.00 3.41 C ATOM 678 CE2 PHE A 151 99.745 5.513 -2.739 1.00 3.26 C ATOM 679 CZ PHE A 151 100.057 4.477 -1.879 1.00 3.10 C ATOM 0 H PHE A 151 95.972 4.703 -0.089 1.00 2.95 H new ATOM 0 HA PHE A 151 94.104 5.583 -2.137 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.737 4.423 -3.860 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.902 6.128 -3.490 1.00 3.44 H new ATOM 0 HD1 PHE A 151 96.969 3.214 -1.416 1.00 3.47 H new ATOM 0 HD2 PHE A 151 98.192 6.531 -3.791 1.00 3.36 H new ATOM 0 HE1 PHE A 151 99.299 2.840 -0.734 1.00 3.41 H new ATOM 0 HE2 PHE A 151 100.525 6.160 -3.113 1.00 3.26 H new ATOM 0 HZ PHE A 151 101.081 4.314 -1.578 1.00 3.10 H new ATOM 689 N THR A 152 94.244 2.879 -2.934 1.00 2.56 N ATOM 690 CA THR A 152 93.801 1.487 -2.936 1.00 2.30 C ATOM 691 C THR A 152 94.986 0.538 -2.771 1.00 2.04 C ATOM 692 O THR A 152 95.705 0.253 -3.728 1.00 2.50 O ATOM 693 CB THR A 152 93.063 1.171 -4.238 1.00 3.04 C ATOM 694 OG1 THR A 152 91.992 2.074 -4.440 1.00 3.69 O ATOM 695 CG2 THR A 152 92.497 -0.232 -4.280 1.00 3.48 C ATOM 0 H THR A 152 94.311 3.303 -3.859 1.00 2.56 H new ATOM 0 HA THR A 152 93.124 1.345 -2.094 1.00 2.30 H new ATOM 0 HB THR A 152 93.812 1.266 -5.024 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.636 1.961 -5.346 1.00 3.69 H new ATOM 0 HG21 THR A 152 91.987 -0.390 -5.230 1.00 3.48 H new ATOM 0 HG22 THR A 152 93.307 -0.954 -4.179 1.00 3.48 H new ATOM 0 HG23 THR A 152 91.789 -0.363 -3.462 1.00 3.48 H new ATOM 703 N CYS A 153 95.187 0.066 -1.546 1.00 1.38 N ATOM 704 CA CYS A 153 96.294 -0.837 -1.243 1.00 1.29 C ATOM 705 C CYS A 153 95.819 -2.281 -1.106 1.00 1.85 C ATOM 706 O CYS A 153 94.623 -2.542 -0.964 1.00 2.08 O ATOM 707 CB CYS A 153 96.978 -0.399 0.053 1.00 0.64 C ATOM 708 SG CYS A 153 95.929 -0.520 1.520 1.00 1.36 S ATOM 0 H CYS A 153 94.598 0.293 -0.745 1.00 1.38 H new ATOM 0 HA CYS A 153 97.001 -0.790 -2.072 1.00 1.29 H new ATOM 0 HB2 CYS A 153 97.868 -1.009 0.205 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.313 0.632 -0.057 1.00 0.64 H new ATOM 0 HG CYS A 153 95.416 0.645 1.784 1.00 1.36 H new ATOM 714 N HIS A 154 96.767 -3.211 -1.132 1.00 2.20 N ATOM 715 CA HIS A 154 96.460 -4.630 -0.990 1.00 2.94 C ATOM 716 C HIS A 154 95.944 -4.917 0.416 1.00 3.04 C ATOM 717 O HIS A 154 96.391 -4.306 1.387 1.00 2.70 O ATOM 718 CB HIS A 154 97.710 -5.469 -1.260 1.00 3.32 C ATOM 719 CG HIS A 154 97.842 -5.941 -2.672 1.00 3.70 C ATOM 720 ND1 HIS A 154 98.921 -5.587 -3.440 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.023 -6.739 -3.398 1.00 4.36 C ATOM 722 CE1 HIS A 154 98.741 -6.170 -4.609 1.00 4.13 C ATOM 723 NE2 HIS A 154 97.603 -6.882 -4.633 1.00 4.64 N ATOM 0 H HIS A 154 97.759 -3.007 -1.251 1.00 2.20 H new ATOM 0 HA HIS A 154 95.689 -4.894 -1.714 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.591 -4.881 -1.002 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.701 -6.336 -0.599 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.093 -7.178 -3.068 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.423 -6.085 -5.442 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.240 -7.424 -5.417 1.00 4.64 H new ATOM 731 N SER A 155 95.003 -5.847 0.523 1.00 3.67 N ATOM 732 CA SER A 155 94.427 -6.206 1.814 1.00 3.98 C ATOM 733 C SER A 155 95.510 -6.520 2.846 1.00 4.20 C ATOM 734 O SER A 155 95.665 -5.804 3.836 1.00 4.08 O ATOM 735 CB SER A 155 93.498 -7.412 1.659 1.00 4.76 C ATOM 736 OG SER A 155 93.939 -8.264 0.615 1.00 5.02 O ATOM 0 H SER A 155 94.622 -6.366 -0.268 1.00 3.67 H new ATOM 0 HA SER A 155 93.857 -5.348 2.171 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.460 -7.969 2.595 1.00 4.76 H new ATOM 0 HB3 SER A 155 92.484 -7.070 1.450 1.00 4.76 H new ATOM 0 HG SER A 155 94.132 -9.154 0.978 1.00 5.02 H new ATOM 742 N GLU A 156 96.249 -7.599 2.612 1.00 4.69 N ATOM 743 CA GLU A 156 97.308 -8.022 3.525 1.00 5.06 C ATOM 744 C GLU A 156 98.454 -7.011 3.591 1.00 4.46 C ATOM 745 O GLU A 156 99.298 -7.085 4.483 1.00 4.76 O ATOM 746 CB GLU A 156 97.849 -9.388 3.103 1.00 5.69 C ATOM 747 CG GLU A 156 98.495 -10.165 4.238 1.00 6.28 C ATOM 748 CD GLU A 156 98.899 -11.568 3.829 1.00 6.92 C ATOM 749 OE1 GLU A 156 99.231 -11.766 2.642 1.00 7.29 O ATOM 750 OE2 GLU A 156 98.885 -12.466 4.696 1.00 7.31 O ATOM 0 H GLU A 156 96.135 -8.199 1.795 1.00 4.69 H new ATOM 0 HA GLU A 156 96.869 -8.088 4.521 1.00 5.06 H new ATOM 0 HB2 GLU A 156 97.033 -9.980 2.687 1.00 5.69 H new ATOM 0 HB3 GLU A 156 98.580 -9.249 2.307 1.00 5.69 H new ATOM 0 HG2 GLU A 156 99.375 -9.625 4.588 1.00 6.28 H new ATOM 0 HG3 GLU A 156 97.801 -10.221 5.076 1.00 6.28 H new ATOM 757 N CYS A 157 98.489 -6.073 2.648 1.00 3.72 N ATOM 758 CA CYS A 157 99.549 -5.069 2.624 1.00 3.15 C ATOM 759 C CYS A 157 99.296 -3.975 3.657 1.00 3.01 C ATOM 760 O CYS A 157 100.234 -3.378 4.179 1.00 3.02 O ATOM 761 CB CYS A 157 99.666 -4.444 1.234 1.00 2.51 C ATOM 762 SG CYS A 157 100.844 -5.293 0.129 1.00 2.62 S ATOM 0 H CYS A 157 97.803 -5.987 1.898 1.00 3.72 H new ATOM 0 HA CYS A 157 100.484 -5.572 2.872 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.682 -4.442 0.765 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.971 -3.403 1.340 1.00 2.51 H new ATOM 767 N ARG A 158 98.023 -3.716 3.945 1.00 3.04 N ATOM 768 CA ARG A 158 97.644 -2.687 4.912 1.00 3.06 C ATOM 769 C ARG A 158 98.479 -2.771 6.190 1.00 3.76 C ATOM 770 O ARG A 158 98.672 -1.771 6.882 1.00 3.88 O ATOM 771 CB ARG A 158 96.158 -2.813 5.256 1.00 3.18 C ATOM 772 CG ARG A 158 95.496 -1.487 5.590 1.00 3.57 C ATOM 773 CD ARG A 158 94.232 -1.690 6.408 1.00 4.14 C ATOM 774 NE ARG A 158 94.533 -2.075 7.787 1.00 4.64 N ATOM 775 CZ ARG A 158 93.840 -2.978 8.480 1.00 5.27 C ATOM 776 NH1 ARG A 158 92.794 -3.590 7.938 1.00 5.53 N ATOM 777 NH2 ARG A 158 94.194 -3.267 9.724 1.00 5.95 N ATOM 0 H ARG A 158 97.234 -4.205 3.522 1.00 3.04 H new ATOM 0 HA ARG A 158 97.835 -1.718 4.452 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.636 -3.268 4.414 1.00 3.18 H new ATOM 0 HB3 ARG A 158 96.046 -3.489 6.104 1.00 3.18 H new ATOM 0 HG2 ARG A 158 96.194 -0.860 6.145 1.00 3.57 H new ATOM 0 HG3 ARG A 158 95.254 -0.957 4.669 1.00 3.57 H new ATOM 0 HD2 ARG A 158 93.647 -0.770 6.407 1.00 4.14 H new ATOM 0 HD3 ARG A 158 93.617 -2.460 5.942 1.00 4.14 H new ATOM 0 HE ARG A 158 95.323 -1.624 8.247 1.00 4.64 H new ATOM 0 HH11 ARG A 158 92.514 -3.371 6.982 1.00 5.53 H new ATOM 0 HH12 ARG A 158 92.271 -4.280 8.477 1.00 5.53 H new ATOM 0 HH21 ARG A 158 94.995 -2.799 10.148 1.00 5.95 H new ATOM 0 HH22 ARG A 158 93.666 -3.958 10.257 1.00 5.95 H new ATOM 791 N SER A 159 98.966 -3.968 6.503 1.00 4.35 N ATOM 792 CA SER A 159 99.770 -4.178 7.703 1.00 5.07 C ATOM 793 C SER A 159 101.084 -3.396 7.650 1.00 5.04 C ATOM 794 O SER A 159 101.751 -3.231 8.672 1.00 5.56 O ATOM 795 CB SER A 159 100.062 -5.668 7.887 1.00 5.71 C ATOM 796 OG SER A 159 98.863 -6.413 8.011 1.00 6.02 O ATOM 0 H SER A 159 98.818 -4.807 5.943 1.00 4.35 H new ATOM 0 HA SER A 159 99.195 -3.810 8.552 1.00 5.07 H new ATOM 0 HB2 SER A 159 100.636 -6.037 7.037 1.00 5.71 H new ATOM 0 HB3 SER A 159 100.678 -5.814 8.775 1.00 5.71 H new ATOM 0 HG SER A 159 99.078 -7.362 8.126 1.00 6.02 H new ATOM 802 N LEU A 160 101.461 -2.925 6.464 1.00 4.50 N ATOM 803 CA LEU A 160 102.704 -2.173 6.308 1.00 4.49 C ATOM 804 C LEU A 160 102.474 -0.666 6.452 1.00 4.25 C ATOM 805 O LEU A 160 103.424 0.101 6.607 1.00 4.39 O ATOM 806 CB LEU A 160 103.364 -2.514 4.956 1.00 4.13 C ATOM 807 CG LEU A 160 103.156 -1.516 3.804 1.00 4.38 C ATOM 808 CD1 LEU A 160 101.691 -1.127 3.666 1.00 4.84 C ATOM 809 CD2 LEU A 160 104.027 -0.282 3.999 1.00 4.59 C ATOM 0 H LEU A 160 100.929 -3.049 5.603 1.00 4.50 H new ATOM 0 HA LEU A 160 103.383 -2.467 7.108 1.00 4.49 H new ATOM 0 HB2 LEU A 160 104.436 -2.622 5.121 1.00 4.13 H new ATOM 0 HB3 LEU A 160 102.991 -3.486 4.633 1.00 4.13 H new ATOM 0 HG LEU A 160 103.457 -2.007 2.878 1.00 4.38 H new ATOM 0 HD11 LEU A 160 101.578 -0.421 2.843 1.00 4.84 H new ATOM 0 HD12 LEU A 160 101.096 -2.017 3.464 1.00 4.84 H new ATOM 0 HD13 LEU A 160 101.349 -0.664 4.591 1.00 4.84 H new ATOM 0 HD21 LEU A 160 103.865 0.412 3.174 1.00 4.59 H new ATOM 0 HD22 LEU A 160 103.764 0.204 4.938 1.00 4.59 H new ATOM 0 HD23 LEU A 160 105.076 -0.577 4.024 1.00 4.59 H new ATOM 821 N ILE A 161 101.211 -0.247 6.401 1.00 4.04 N ATOM 822 CA ILE A 161 100.872 1.166 6.524 1.00 4.02 C ATOM 823 C ILE A 161 100.950 1.629 7.976 1.00 4.66 C ATOM 824 O ILE A 161 100.059 1.348 8.777 1.00 4.65 O ATOM 825 CB ILE A 161 99.461 1.454 5.978 1.00 3.40 C ATOM 826 CG1 ILE A 161 99.296 0.838 4.586 1.00 2.89 C ATOM 827 CG2 ILE A 161 99.203 2.952 5.935 1.00 3.55 C ATOM 828 CD1 ILE A 161 97.883 0.916 4.052 1.00 2.37 C ATOM 0 H ILE A 161 100.409 -0.865 6.276 1.00 4.04 H new ATOM 0 HA ILE A 161 101.602 1.718 5.932 1.00 4.02 H new ATOM 0 HB ILE A 161 98.729 1.000 6.646 1.00 3.40 H new ATOM 0 HG12 ILE A 161 99.966 1.345 3.892 1.00 2.89 H new ATOM 0 HG13 ILE A 161 99.605 -0.207 4.621 1.00 2.89 H new ATOM 0 HG21 ILE A 161 98.202 3.138 5.547 1.00 3.55 H new ATOM 0 HG22 ILE A 161 99.284 3.364 6.941 1.00 3.55 H new ATOM 0 HG23 ILE A 161 99.938 3.429 5.287 1.00 3.55 H new ATOM 0 HD11 ILE A 161 97.842 0.460 3.063 1.00 2.37 H new ATOM 0 HD12 ILE A 161 97.210 0.384 4.724 1.00 2.37 H new ATOM 0 HD13 ILE A 161 97.577 1.960 3.984 1.00 2.37 H new ATOM 840 N GLN A 162 102.021 2.342 8.304 1.00 5.30 N ATOM 841 CA GLN A 162 102.221 2.849 9.656 1.00 6.01 C ATOM 842 C GLN A 162 101.907 4.340 9.732 1.00 6.16 C ATOM 843 O GLN A 162 101.545 4.856 10.789 1.00 6.76 O ATOM 844 CB GLN A 162 103.661 2.596 10.109 1.00 6.80 C ATOM 845 CG GLN A 162 104.700 2.983 9.071 1.00 6.97 C ATOM 846 CD GLN A 162 106.047 3.307 9.686 1.00 7.56 C ATOM 847 OE1 GLN A 162 106.469 2.673 10.654 1.00 8.05 O ATOM 848 NE2 GLN A 162 106.731 4.299 9.128 1.00 7.77 N ATOM 0 H GLN A 162 102.766 2.583 7.650 1.00 5.30 H new ATOM 0 HA GLN A 162 101.538 2.319 10.320 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.849 3.156 11.025 1.00 6.80 H new ATOM 0 HB3 GLN A 162 103.777 1.540 10.351 1.00 6.80 H new ATOM 0 HG2 GLN A 162 104.817 2.167 8.358 1.00 6.97 H new ATOM 0 HG3 GLN A 162 104.344 3.847 8.510 1.00 6.97 H new ATOM 0 HE21 GLN A 162 106.344 4.798 8.327 1.00 7.77 H new ATOM 0 HE22 GLN A 162 107.643 4.562 9.500 1.00 7.77 H new ATOM 857 N LEU A 163 102.053 5.030 8.603 1.00 5.80 N ATOM 858 CA LEU A 163 101.788 6.464 8.540 1.00 6.11 C ATOM 859 C LEU A 163 100.383 6.787 9.041 1.00 6.27 C ATOM 860 O LEU A 163 99.457 5.991 8.880 1.00 6.00 O ATOM 861 CB LEU A 163 101.957 6.971 7.105 1.00 5.81 C ATOM 862 CG LEU A 163 103.406 7.111 6.637 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.460 7.332 5.134 1.00 6.32 C ATOM 864 CD2 LEU A 163 104.091 8.255 7.370 1.00 6.57 C ATOM 0 H LEU A 163 102.354 4.618 7.719 1.00 5.80 H new ATOM 0 HA LEU A 163 102.507 6.967 9.187 1.00 6.11 H new ATOM 0 HB2 LEU A 163 101.437 6.290 6.431 1.00 5.81 H new ATOM 0 HB3 LEU A 163 101.467 7.941 7.018 1.00 5.81 H new ATOM 0 HG LEU A 163 103.936 6.187 6.868 1.00 6.22 H new ATOM 0 HD11 LEU A 163 104.499 7.430 4.818 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.004 6.483 4.625 1.00 6.32 H new ATOM 0 HD13 LEU A 163 102.916 8.242 4.880 1.00 6.32 H new ATOM 0 HD21 LEU A 163 105.122 8.342 7.026 1.00 6.57 H new ATOM 0 HD22 LEU A 163 103.561 9.186 7.168 1.00 6.57 H new ATOM 0 HD23 LEU A 163 104.082 8.058 8.442 1.00 6.57 H new ATOM 876 N ASP A 164 100.234 7.957 9.652 1.00 6.82 N ATOM 877 CA ASP A 164 98.944 8.387 10.180 1.00 7.11 C ATOM 878 C ASP A 164 98.132 9.108 9.111 1.00 6.85 C ATOM 879 O ASP A 164 98.688 9.700 8.187 1.00 6.80 O ATOM 880 CB ASP A 164 99.143 9.298 11.391 1.00 7.92 C ATOM 881 CG ASP A 164 100.122 8.721 12.395 1.00 8.46 C ATOM 882 OD1 ASP A 164 100.015 7.516 12.703 1.00 8.87 O ATOM 883 OD2 ASP A 164 100.996 9.475 12.873 1.00 8.71 O ATOM 0 H ASP A 164 100.991 8.625 9.794 1.00 6.82 H new ATOM 0 HA ASP A 164 98.392 7.500 10.491 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.502 10.271 11.055 1.00 7.92 H new ATOM 0 HB3 ASP A 164 98.182 9.464 11.879 1.00 7.92 H new ATOM 888 N CYS A 165 96.811 9.053 9.245 1.00 6.77 N ATOM 889 CA CYS A 165 95.918 9.701 8.291 1.00 6.61 C ATOM 890 C CYS A 165 96.213 11.193 8.192 1.00 7.27 C ATOM 891 O CYS A 165 95.911 11.960 9.105 1.00 7.79 O ATOM 892 CB CYS A 165 94.460 9.482 8.694 1.00 6.46 C ATOM 893 SG CYS A 165 93.298 9.452 7.293 1.00 5.92 S ATOM 0 H CYS A 165 96.335 8.566 10.005 1.00 6.77 H new ATOM 0 HA CYS A 165 96.088 9.252 7.312 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.382 8.540 9.237 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.162 10.273 9.383 1.00 6.46 H new ATOM 898 N ARG A 166 96.804 11.590 7.074 1.00 7.27 N ATOM 899 CA ARG A 166 97.146 12.990 6.844 1.00 7.93 C ATOM 900 C ARG A 166 95.953 13.755 6.278 1.00 8.10 C ATOM 901 O ARG A 166 95.601 14.819 6.783 1.00 0.00 O ATOM 902 CB ARG A 166 98.333 13.095 5.885 1.00 7.96 C ATOM 903 CG ARG A 166 99.677 12.848 6.552 1.00 7.80 C ATOM 904 CD ARG A 166 100.409 14.151 6.831 1.00 8.18 C ATOM 905 NE ARG A 166 101.326 14.032 7.962 1.00 8.38 N ATOM 906 CZ ARG A 166 102.526 13.461 7.887 1.00 8.69 C ATOM 907 NH1 ARG A 166 102.958 12.958 6.737 1.00 8.85 N ATOM 908 NH2 ARG A 166 103.297 13.395 8.963 1.00 9.07 N ATOM 0 H ARG A 166 97.058 10.963 6.310 1.00 7.27 H new ATOM 0 HA ARG A 166 97.420 13.434 7.801 1.00 7.93 H new ATOM 0 HB2 ARG A 166 98.201 12.377 5.076 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.338 14.087 5.433 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.527 12.307 7.486 1.00 7.80 H new ATOM 0 HG3 ARG A 166 100.291 12.214 5.912 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.965 14.452 5.943 1.00 8.18 H new ATOM 0 HD3 ARG A 166 99.683 14.938 7.034 1.00 8.18 H new ATOM 0 HE ARG A 166 101.029 14.409 8.862 1.00 8.38 H new ATOM 0 HH11 ARG A 166 102.370 13.008 5.905 1.00 8.85 H new ATOM 0 HH12 ARG A 166 103.878 12.522 6.685 1.00 8.85 H new ATOM 0 HH21 ARG A 166 102.971 13.782 9.849 1.00 9.07 H new ATOM 0 HH22 ARG A 166 104.217 12.957 8.905 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.370 -4.650 -2.032 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.975 7.800 5.842 1.00 4.87 ZN