USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 118 HIS : no HE2:sc= -2.81 K(o=-2.8,f=-9.5!) USER MOD Set 1.2: A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-0.59) USER MOD Single : A 148 ASN : amide:sc= -0.761 K(o=-0.76,f=-3!) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 CYS SG : rot -6:sc= -2.38 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 93.650 15.580 -0.359 1.00 10.33 N ATOM 2 CA PRO A 108 92.434 15.315 0.456 1.00 9.87 C ATOM 3 C PRO A 108 91.188 15.161 -0.415 1.00 9.14 C ATOM 4 O PRO A 108 90.466 16.127 -0.661 1.00 9.03 O ATOM 5 CB PRO A 108 92.266 16.484 1.424 1.00 10.34 C ATOM 6 CG PRO A 108 93.307 17.465 1.002 1.00 11.01 C ATOM 7 CD PRO A 108 94.384 16.671 0.304 1.00 10.96 C ATOM 0 HA PRO A 108 92.554 14.376 0.995 1.00 9.87 H new ATOM 0 HB2 PRO A 108 91.266 16.913 1.360 1.00 10.34 H new ATOM 0 HB3 PRO A 108 92.412 16.169 2.457 1.00 10.34 H new ATOM 0 HG2 PRO A 108 92.885 18.216 0.335 1.00 11.01 H new ATOM 0 HG3 PRO A 108 93.712 17.996 1.864 1.00 11.01 H new ATOM 0 HD2 PRO A 108 94.927 17.282 -0.417 1.00 10.96 H new ATOM 0 HD3 PRO A 108 95.118 16.286 1.012 1.00 10.96 H new ATOM 17 N ARG A 109 90.946 13.939 -0.879 1.00 8.91 N ATOM 18 CA ARG A 109 89.791 13.657 -1.723 1.00 8.49 C ATOM 19 C ARG A 109 88.491 13.987 -0.999 1.00 7.86 C ATOM 20 O ARG A 109 88.389 13.833 0.219 1.00 7.78 O ATOM 21 CB ARG A 109 89.791 12.187 -2.148 1.00 8.84 C ATOM 22 CG ARG A 109 89.101 11.939 -3.479 1.00 9.50 C ATOM 23 CD ARG A 109 90.105 11.776 -4.607 1.00 10.20 C ATOM 24 NE ARG A 109 90.674 10.432 -4.646 1.00 10.78 N ATOM 25 CZ ARG A 109 91.542 10.019 -5.565 1.00 11.32 C ATOM 26 NH1 ARG A 109 91.946 10.843 -6.525 1.00 11.37 N ATOM 27 NH2 ARG A 109 92.009 8.779 -5.528 1.00 12.00 N ATOM 0 H ARG A 109 91.534 13.129 -0.685 1.00 8.91 H new ATOM 0 HA ARG A 109 89.860 14.286 -2.610 1.00 8.49 H new ATOM 0 HB2 ARG A 109 90.821 11.836 -2.211 1.00 8.84 H new ATOM 0 HB3 ARG A 109 89.299 11.594 -1.377 1.00 8.84 H new ATOM 0 HG2 ARG A 109 88.484 11.043 -3.408 1.00 9.50 H new ATOM 0 HG3 ARG A 109 88.432 12.770 -3.703 1.00 9.50 H new ATOM 0 HD2 ARG A 109 89.619 11.991 -5.558 1.00 10.20 H new ATOM 0 HD3 ARG A 109 90.906 12.505 -4.487 1.00 10.20 H new ATOM 0 HE ARG A 109 90.388 9.770 -3.925 1.00 10.78 H new ATOM 0 HH11 ARG A 109 91.590 11.798 -6.560 1.00 11.37 H new ATOM 0 HH12 ARG A 109 92.612 10.521 -7.227 1.00 11.37 H new ATOM 0 HH21 ARG A 109 91.703 8.140 -4.794 1.00 12.00 H new ATOM 0 HH22 ARG A 109 92.675 8.463 -6.233 1.00 12.00 H new ATOM 41 N VAL A 110 87.498 14.444 -1.755 1.00 7.68 N ATOM 42 CA VAL A 110 86.202 14.798 -1.186 1.00 7.34 C ATOM 43 C VAL A 110 85.201 13.656 -1.338 1.00 6.54 C ATOM 44 O VAL A 110 83.995 13.885 -1.425 1.00 6.26 O ATOM 45 CB VAL A 110 85.625 16.061 -1.849 1.00 7.82 C ATOM 46 CG1 VAL A 110 86.434 17.288 -1.456 1.00 8.21 C ATOM 47 CG2 VAL A 110 85.586 15.900 -3.361 1.00 8.46 C ATOM 0 H VAL A 110 87.566 14.578 -2.764 1.00 7.68 H new ATOM 0 HA VAL A 110 86.366 14.994 -0.126 1.00 7.34 H new ATOM 0 HB VAL A 110 84.603 16.200 -1.496 1.00 7.82 H new ATOM 0 HG11 VAL A 110 86.011 18.171 -1.934 1.00 8.21 H new ATOM 0 HG12 VAL A 110 86.404 17.412 -0.374 1.00 8.21 H new ATOM 0 HG13 VAL A 110 87.468 17.161 -1.778 1.00 8.21 H new ATOM 0 HG21 VAL A 110 85.175 16.803 -3.813 1.00 8.46 H new ATOM 0 HG22 VAL A 110 86.596 15.734 -3.735 1.00 8.46 H new ATOM 0 HG23 VAL A 110 84.959 15.047 -3.620 1.00 8.46 H new ATOM 57 N LEU A 111 85.708 12.429 -1.371 1.00 6.49 N ATOM 58 CA LEU A 111 84.853 11.254 -1.513 1.00 6.05 C ATOM 59 C LEU A 111 84.424 10.726 -0.147 1.00 5.68 C ATOM 60 O LEU A 111 83.272 10.337 0.044 1.00 6.10 O ATOM 61 CB LEU A 111 85.582 10.158 -2.295 1.00 6.60 C ATOM 62 CG LEU A 111 85.233 10.086 -3.784 1.00 6.95 C ATOM 63 CD1 LEU A 111 86.185 10.950 -4.597 1.00 7.53 C ATOM 64 CD2 LEU A 111 85.274 8.645 -4.270 1.00 7.37 C ATOM 0 H LEU A 111 86.704 12.221 -1.302 1.00 6.49 H new ATOM 0 HA LEU A 111 83.960 11.548 -2.064 1.00 6.05 H new ATOM 0 HB2 LEU A 111 86.656 10.315 -2.196 1.00 6.60 H new ATOM 0 HB3 LEU A 111 85.357 9.195 -1.837 1.00 6.60 H new ATOM 0 HG LEU A 111 84.221 10.468 -3.920 1.00 6.95 H new ATOM 0 HD11 LEU A 111 85.922 10.887 -5.653 1.00 7.53 H new ATOM 0 HD12 LEU A 111 86.109 11.986 -4.266 1.00 7.53 H new ATOM 0 HD13 LEU A 111 87.207 10.598 -4.456 1.00 7.53 H new ATOM 0 HD21 LEU A 111 85.024 8.611 -5.330 1.00 7.37 H new ATOM 0 HD22 LEU A 111 86.274 8.239 -4.120 1.00 7.37 H new ATOM 0 HD23 LEU A 111 84.553 8.051 -3.708 1.00 7.37 H new ATOM 76 N ALA A 112 85.359 10.715 0.797 1.00 5.15 N ATOM 77 CA ALA A 112 85.077 10.235 2.144 1.00 4.90 C ATOM 78 C ALA A 112 85.050 11.388 3.143 1.00 5.28 C ATOM 79 O ALA A 112 85.433 12.512 2.819 1.00 5.66 O ATOM 80 CB ALA A 112 86.108 9.198 2.561 1.00 4.47 C ATOM 0 H ALA A 112 86.318 11.033 0.654 1.00 5.15 H new ATOM 0 HA ALA A 112 84.091 9.770 2.138 1.00 4.90 H new ATOM 0 HB1 ALA A 112 85.885 8.848 3.569 1.00 4.47 H new ATOM 0 HB2 ALA A 112 86.077 8.356 1.870 1.00 4.47 H new ATOM 0 HB3 ALA A 112 87.102 9.646 2.544 1.00 4.47 H new ATOM 86 N GLU A 113 84.595 11.101 4.359 1.00 5.43 N ATOM 87 CA GLU A 113 84.520 12.114 5.404 1.00 5.94 C ATOM 88 C GLU A 113 85.911 12.459 5.929 1.00 6.10 C ATOM 89 O GLU A 113 86.912 11.910 5.470 1.00 6.17 O ATOM 90 CB GLU A 113 83.630 11.628 6.552 1.00 6.32 C ATOM 91 CG GLU A 113 82.453 12.543 6.839 1.00 6.89 C ATOM 92 CD GLU A 113 81.370 12.449 5.781 1.00 7.44 C ATOM 93 OE1 GLU A 113 81.236 11.371 5.163 1.00 7.69 O ATOM 94 OE2 GLU A 113 80.655 13.452 5.572 1.00 7.92 O ATOM 0 H GLU A 113 84.273 10.176 4.644 1.00 5.43 H new ATOM 0 HA GLU A 113 84.083 13.015 4.973 1.00 5.94 H new ATOM 0 HB2 GLU A 113 83.256 10.632 6.314 1.00 6.32 H new ATOM 0 HB3 GLU A 113 84.234 11.534 7.454 1.00 6.32 H new ATOM 0 HG2 GLU A 113 82.029 12.290 7.811 1.00 6.89 H new ATOM 0 HG3 GLU A 113 82.805 13.573 6.903 1.00 6.89 H new ATOM 101 N ARG A 114 85.965 13.373 6.892 1.00 6.45 N ATOM 102 CA ARG A 114 87.232 13.791 7.479 1.00 6.82 C ATOM 103 C ARG A 114 87.450 13.129 8.835 1.00 6.52 C ATOM 104 O ARG A 114 86.567 12.443 9.351 1.00 6.48 O ATOM 105 CB ARG A 114 87.272 15.312 7.629 1.00 7.39 C ATOM 106 CG ARG A 114 86.776 16.059 6.402 1.00 8.23 C ATOM 107 CD ARG A 114 86.834 17.566 6.602 1.00 8.84 C ATOM 108 NE ARG A 114 88.207 18.064 6.621 1.00 9.52 N ATOM 109 CZ ARG A 114 88.960 18.132 7.719 1.00 10.11 C ATOM 110 NH1 ARG A 114 88.480 17.736 8.892 1.00 10.12 N ATOM 111 NH2 ARG A 114 90.198 18.599 7.644 1.00 10.88 N ATOM 0 H ARG A 114 85.146 13.838 7.282 1.00 6.45 H new ATOM 0 HA ARG A 114 88.033 13.478 6.810 1.00 6.82 H new ATOM 0 HB2 ARG A 114 86.666 15.600 8.488 1.00 7.39 H new ATOM 0 HB3 ARG A 114 88.295 15.621 7.843 1.00 7.39 H new ATOM 0 HG2 ARG A 114 87.380 15.783 5.538 1.00 8.23 H new ATOM 0 HG3 ARG A 114 85.751 15.760 6.183 1.00 8.23 H new ATOM 0 HD2 ARG A 114 86.281 18.059 5.803 1.00 8.84 H new ATOM 0 HD3 ARG A 114 86.341 17.826 7.539 1.00 8.84 H new ATOM 0 HE ARG A 114 88.614 18.379 5.741 1.00 9.52 H new ATOM 0 HH11 ARG A 114 87.528 17.376 8.958 1.00 10.12 H new ATOM 0 HH12 ARG A 114 89.063 17.792 9.727 1.00 10.12 H new ATOM 0 HH21 ARG A 114 90.574 18.906 6.747 1.00 10.88 H new ATOM 0 HH22 ARG A 114 90.775 18.651 8.483 1.00 10.88 H new ATOM 125 N GLY A 115 88.631 13.338 9.408 1.00 6.59 N ATOM 126 CA GLY A 115 88.944 12.755 10.699 1.00 6.53 C ATOM 127 C GLY A 115 90.217 11.932 10.670 1.00 6.78 C ATOM 128 O GLY A 115 90.475 11.207 9.709 1.00 6.99 O ATOM 0 H GLY A 115 89.377 13.901 9.001 1.00 6.59 H new ATOM 0 HA2 GLY A 115 89.045 13.550 11.438 1.00 6.53 H new ATOM 0 HA3 GLY A 115 88.115 12.125 11.020 1.00 6.53 H new ATOM 132 N GLU A 116 91.017 12.046 11.726 1.00 6.92 N ATOM 133 CA GLU A 116 92.273 11.309 11.818 1.00 7.28 C ATOM 134 C GLU A 116 92.024 9.804 11.762 1.00 7.01 C ATOM 135 O GLU A 116 90.930 9.333 12.072 1.00 7.37 O ATOM 136 CB GLU A 116 93.007 11.670 13.109 1.00 7.73 C ATOM 137 CG GLU A 116 94.072 12.740 12.925 1.00 8.27 C ATOM 138 CD GLU A 116 94.853 13.011 14.196 1.00 8.72 C ATOM 139 OE1 GLU A 116 94.936 12.100 15.047 1.00 9.05 O ATOM 140 OE2 GLU A 116 95.382 14.133 14.340 1.00 8.96 O ATOM 0 H GLU A 116 90.818 12.642 12.530 1.00 6.92 H new ATOM 0 HA GLU A 116 92.894 11.588 10.967 1.00 7.28 H new ATOM 0 HB2 GLU A 116 92.281 12.015 13.846 1.00 7.73 H new ATOM 0 HB3 GLU A 116 93.472 10.772 13.516 1.00 7.73 H new ATOM 0 HG2 GLU A 116 94.761 12.430 12.139 1.00 8.27 H new ATOM 0 HG3 GLU A 116 93.600 13.663 12.589 1.00 8.27 H new ATOM 147 N GLY A 117 93.048 9.055 11.364 1.00 6.59 N ATOM 148 CA GLY A 117 92.920 7.613 11.275 1.00 6.40 C ATOM 149 C GLY A 117 92.479 7.153 9.899 1.00 5.64 C ATOM 150 O GLY A 117 91.397 7.513 9.436 1.00 5.49 O ATOM 0 H GLY A 117 93.963 9.421 11.102 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.876 7.151 11.520 1.00 6.40 H new ATOM 0 HA3 GLY A 117 92.200 7.269 12.018 1.00 6.40 H new ATOM 154 N HIS A 118 93.318 6.356 9.245 1.00 5.19 N ATOM 155 CA HIS A 118 93.010 5.846 7.914 1.00 4.46 C ATOM 156 C HIS A 118 91.692 5.078 7.911 1.00 4.06 C ATOM 157 O HIS A 118 91.437 4.261 8.798 1.00 4.20 O ATOM 158 CB HIS A 118 94.136 4.940 7.415 1.00 4.14 C ATOM 159 CG HIS A 118 95.430 5.659 7.185 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.507 7.030 7.229 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.658 5.155 6.916 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.771 7.328 6.987 1.00 4.97 C ATOM 163 NE2 HIS A 118 97.507 6.223 6.791 1.00 4.60 N ATOM 0 H HIS A 118 94.217 6.049 9.616 1.00 5.19 H new ATOM 0 HA HIS A 118 92.914 6.701 7.245 1.00 4.46 H new ATOM 0 HB2 HIS A 118 94.297 4.143 8.141 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.824 4.466 6.485 1.00 4.14 H new ATOM 0 HD1 HIS A 118 94.745 7.683 7.411 1.00 4.82 H new ATOM 0 HD2 HIS A 118 96.918 4.111 6.819 1.00 4.24 H new ATOM 0 HE1 HIS A 118 97.163 8.334 6.951 1.00 4.97 H new ATOM 171 N ARG A 119 90.862 5.341 6.909 1.00 3.68 N ATOM 172 CA ARG A 119 89.574 4.670 6.789 1.00 3.29 C ATOM 173 C ARG A 119 89.674 3.472 5.851 1.00 2.55 C ATOM 174 O ARG A 119 89.144 2.399 6.139 1.00 2.42 O ATOM 175 CB ARG A 119 88.509 5.644 6.279 1.00 3.40 C ATOM 176 CG ARG A 119 88.845 6.263 4.932 1.00 3.29 C ATOM 177 CD ARG A 119 87.748 7.205 4.460 1.00 3.67 C ATOM 178 NE ARG A 119 87.535 8.312 5.390 1.00 3.86 N ATOM 179 CZ ARG A 119 86.694 8.269 6.423 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.983 7.175 6.667 1.00 4.64 N ATOM 181 NH2 ARG A 119 86.565 9.325 7.213 1.00 4.88 N ATOM 0 H ARG A 119 91.058 6.014 6.168 1.00 3.68 H new ATOM 0 HA ARG A 119 89.284 4.315 7.778 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.557 5.120 6.201 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.376 6.440 7.012 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.786 6.808 5.006 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.990 5.474 4.194 1.00 3.29 H new ATOM 0 HD2 ARG A 119 88.009 7.602 3.479 1.00 3.67 H new ATOM 0 HD3 ARG A 119 86.819 6.648 4.342 1.00 3.67 H new ATOM 0 HE ARG A 119 88.063 9.171 5.239 1.00 3.86 H new ATOM 0 HH11 ARG A 119 86.078 6.359 6.062 1.00 4.64 H new ATOM 0 HH12 ARG A 119 85.341 7.150 7.460 1.00 4.64 H new ATOM 0 HH21 ARG A 119 87.109 10.168 7.030 1.00 4.88 H new ATOM 0 HH22 ARG A 119 85.922 9.295 8.004 1.00 4.88 H new ATOM 195 N PHE A 120 90.359 3.663 4.727 1.00 2.20 N ATOM 196 CA PHE A 120 90.532 2.597 3.744 1.00 1.52 C ATOM 197 C PHE A 120 89.184 2.003 3.343 1.00 1.27 C ATOM 198 O PHE A 120 88.712 1.046 3.955 1.00 1.46 O ATOM 199 CB PHE A 120 91.434 1.499 4.306 1.00 1.60 C ATOM 200 CG PHE A 120 92.896 1.846 4.297 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.619 1.818 3.116 1.00 1.32 C ATOM 202 CD2 PHE A 120 93.546 2.196 5.469 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.966 2.135 3.104 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.891 2.514 5.463 1.00 2.70 C ATOM 205 CZ PHE A 120 95.602 2.483 4.280 1.00 2.25 C ATOM 0 H PHE A 120 90.803 4.546 4.474 1.00 2.20 H new ATOM 0 HA PHE A 120 91.000 3.027 2.858 1.00 1.52 H new ATOM 0 HB2 PHE A 120 91.129 1.281 5.329 1.00 1.60 H new ATOM 0 HB3 PHE A 120 91.284 0.588 3.727 1.00 1.60 H new ATOM 0 HD1 PHE A 120 93.126 1.546 2.194 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.996 2.221 6.398 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.519 2.110 2.177 1.00 1.56 H new ATOM 0 HE2 PHE A 120 95.386 2.787 6.384 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.653 2.730 4.274 1.00 2.25 H new ATOM 215 N VAL A 121 88.568 2.577 2.315 1.00 1.28 N ATOM 216 CA VAL A 121 87.273 2.099 1.841 1.00 1.47 C ATOM 217 C VAL A 121 87.434 0.967 0.830 1.00 1.73 C ATOM 218 O VAL A 121 87.877 1.184 -0.297 1.00 2.05 O ATOM 219 CB VAL A 121 86.446 3.232 1.202 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.892 4.159 2.272 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.281 4.010 0.196 1.00 2.59 C ATOM 0 H VAL A 121 88.942 3.371 1.795 1.00 1.28 H new ATOM 0 HA VAL A 121 86.742 1.726 2.717 1.00 1.47 H new ATOM 0 HB VAL A 121 85.607 2.783 0.670 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.311 4.952 1.801 1.00 2.26 H new ATOM 0 HG12 VAL A 121 85.251 3.593 2.948 1.00 2.26 H new ATOM 0 HG13 VAL A 121 86.716 4.598 2.835 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.676 4.804 -0.242 1.00 2.59 H new ATOM 0 HG22 VAL A 121 88.144 4.446 0.699 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.622 3.338 -0.591 1.00 2.59 H new ATOM 231 N GLU A 122 87.068 -0.243 1.243 1.00 1.96 N ATOM 232 CA GLU A 122 87.167 -1.412 0.377 1.00 2.61 C ATOM 233 C GLU A 122 86.403 -1.192 -0.928 1.00 3.15 C ATOM 234 O GLU A 122 85.263 -0.730 -0.920 1.00 3.31 O ATOM 235 CB GLU A 122 86.625 -2.650 1.095 1.00 3.09 C ATOM 236 CG GLU A 122 87.467 -3.896 0.884 1.00 3.41 C ATOM 237 CD GLU A 122 86.975 -5.077 1.699 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.753 -5.332 1.695 1.00 4.00 O ATOM 239 OE2 GLU A 122 87.812 -5.743 2.343 1.00 4.17 O ATOM 0 H GLU A 122 86.700 -0.439 2.174 1.00 1.96 H new ATOM 0 HA GLU A 122 88.219 -1.568 0.138 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.562 -2.441 2.163 1.00 3.09 H new ATOM 0 HB3 GLU A 122 85.610 -2.845 0.748 1.00 3.09 H new ATOM 0 HG2 GLU A 122 87.459 -4.160 -0.173 1.00 3.41 H new ATOM 0 HG3 GLU A 122 88.502 -3.681 1.151 1.00 3.41 H new ATOM 246 N LEU A 123 87.041 -1.528 -2.044 1.00 3.56 N ATOM 247 CA LEU A 123 86.419 -1.367 -3.354 1.00 4.25 C ATOM 248 C LEU A 123 85.235 -2.317 -3.512 1.00 4.92 C ATOM 249 O LEU A 123 85.327 -3.500 -3.182 1.00 5.12 O ATOM 250 CB LEU A 123 87.444 -1.619 -4.464 1.00 4.48 C ATOM 251 CG LEU A 123 88.136 -0.368 -5.002 1.00 4.92 C ATOM 252 CD1 LEU A 123 88.902 0.337 -3.895 1.00 5.51 C ATOM 253 CD2 LEU A 123 89.064 -0.728 -6.152 1.00 5.24 C ATOM 0 H LEU A 123 87.986 -1.912 -2.068 1.00 3.56 H new ATOM 0 HA LEU A 123 86.054 -0.343 -3.433 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.205 -2.302 -4.087 1.00 4.48 H new ATOM 0 HB3 LEU A 123 86.944 -2.123 -5.291 1.00 4.48 H new ATOM 0 HG LEU A 123 87.373 0.315 -5.376 1.00 4.92 H new ATOM 0 HD11 LEU A 123 89.388 1.226 -4.298 1.00 5.51 H new ATOM 0 HD12 LEU A 123 88.212 0.628 -3.103 1.00 5.51 H new ATOM 0 HD13 LEU A 123 89.657 -0.337 -3.489 1.00 5.51 H new ATOM 0 HD21 LEU A 123 89.549 0.174 -6.524 1.00 5.24 H new ATOM 0 HD22 LEU A 123 89.821 -1.430 -5.802 1.00 5.24 H new ATOM 0 HD23 LEU A 123 88.487 -1.187 -6.955 1.00 5.24 H new ATOM 265 N ALA A 124 84.123 -1.790 -4.012 1.00 5.38 N ATOM 266 CA ALA A 124 82.920 -2.590 -4.209 1.00 6.08 C ATOM 267 C ALA A 124 82.874 -3.201 -5.607 1.00 6.69 C ATOM 268 O ALA A 124 81.801 -3.544 -6.106 1.00 7.13 O ATOM 269 CB ALA A 124 81.680 -1.740 -3.966 1.00 6.38 C ATOM 0 H ALA A 124 84.030 -0.813 -4.288 1.00 5.38 H new ATOM 0 HA ALA A 124 82.942 -3.408 -3.489 1.00 6.08 H new ATOM 0 HB1 ALA A 124 80.787 -2.347 -4.116 1.00 6.38 H new ATOM 0 HB2 ALA A 124 81.693 -1.361 -2.944 1.00 6.38 H new ATOM 0 HB3 ALA A 124 81.670 -0.903 -4.664 1.00 6.38 H new ATOM 275 N LEU A 125 84.037 -3.335 -6.238 1.00 6.81 N ATOM 276 CA LEU A 125 84.117 -3.904 -7.578 1.00 7.42 C ATOM 277 C LEU A 125 83.651 -5.359 -7.582 1.00 8.16 C ATOM 278 O LEU A 125 83.347 -5.926 -6.533 1.00 8.46 O ATOM 279 CB LEU A 125 85.549 -3.800 -8.118 1.00 7.36 C ATOM 280 CG LEU A 125 86.557 -4.812 -7.552 1.00 6.97 C ATOM 281 CD1 LEU A 125 86.386 -4.972 -6.048 1.00 6.96 C ATOM 282 CD2 LEU A 125 86.418 -6.155 -8.254 1.00 7.07 C ATOM 0 H LEU A 125 84.935 -3.057 -5.843 1.00 6.81 H new ATOM 0 HA LEU A 125 83.455 -3.334 -8.229 1.00 7.42 H new ATOM 0 HB2 LEU A 125 85.517 -3.916 -9.201 1.00 7.36 H new ATOM 0 HB3 LEU A 125 85.920 -2.795 -7.916 1.00 7.36 H new ATOM 0 HG LEU A 125 87.560 -4.428 -7.737 1.00 6.97 H new ATOM 0 HD11 LEU A 125 87.112 -5.694 -5.674 1.00 6.96 H new ATOM 0 HD12 LEU A 125 86.545 -4.011 -5.559 1.00 6.96 H new ATOM 0 HD13 LEU A 125 85.378 -5.326 -5.832 1.00 6.96 H new ATOM 0 HD21 LEU A 125 87.140 -6.859 -7.840 1.00 7.07 H new ATOM 0 HD22 LEU A 125 85.409 -6.541 -8.105 1.00 7.07 H new ATOM 0 HD23 LEU A 125 86.605 -6.029 -9.320 1.00 7.07 H new ATOM 294 N ARG A 126 83.598 -5.953 -8.769 1.00 8.60 N ATOM 295 CA ARG A 126 83.171 -7.340 -8.909 1.00 9.37 C ATOM 296 C ARG A 126 83.660 -7.925 -10.230 1.00 9.91 C ATOM 297 O ARG A 126 84.187 -9.037 -10.271 1.00 10.39 O ATOM 298 CB ARG A 126 81.646 -7.437 -8.825 1.00 9.55 C ATOM 299 CG ARG A 126 81.157 -8.629 -8.019 1.00 9.90 C ATOM 300 CD ARG A 126 79.651 -8.800 -8.139 1.00 10.24 C ATOM 301 NE ARG A 126 79.194 -10.056 -7.548 1.00 10.60 N ATOM 302 CZ ARG A 126 78.000 -10.596 -7.786 1.00 11.07 C ATOM 303 NH1 ARG A 126 77.141 -9.993 -8.599 1.00 11.25 N ATOM 304 NH2 ARG A 126 77.665 -11.741 -7.208 1.00 11.57 N ATOM 0 H ARG A 126 83.845 -5.496 -9.647 1.00 8.60 H new ATOM 0 HA ARG A 126 83.608 -7.916 -8.093 1.00 9.37 H new ATOM 0 HB2 ARG A 126 81.256 -6.522 -8.379 1.00 9.55 H new ATOM 0 HB3 ARG A 126 81.238 -7.499 -9.834 1.00 9.55 H new ATOM 0 HG2 ARG A 126 81.656 -9.534 -8.366 1.00 9.90 H new ATOM 0 HG3 ARG A 126 81.427 -8.497 -6.971 1.00 9.90 H new ATOM 0 HD2 ARG A 126 79.151 -7.965 -7.648 1.00 10.24 H new ATOM 0 HD3 ARG A 126 79.365 -8.769 -9.190 1.00 10.24 H new ATOM 0 HE ARG A 126 79.826 -10.548 -6.916 1.00 10.60 H new ATOM 0 HH11 ARG A 126 77.394 -9.111 -9.045 1.00 11.25 H new ATOM 0 HH12 ARG A 126 76.228 -10.411 -8.777 1.00 11.25 H new ATOM 0 HH21 ARG A 126 78.321 -12.207 -6.582 1.00 11.57 H new ATOM 0 HH22 ARG A 126 76.751 -12.156 -7.389 1.00 11.57 H new ATOM 318 N GLY A 127 83.479 -7.168 -11.307 1.00 9.94 N ATOM 319 CA GLY A 127 83.908 -7.626 -12.616 1.00 10.50 C ATOM 320 C GLY A 127 85.081 -6.830 -13.152 1.00 10.13 C ATOM 321 O GLY A 127 85.282 -6.747 -14.363 1.00 10.47 O ATOM 0 H GLY A 127 83.043 -6.246 -11.297 1.00 9.94 H new ATOM 0 HA2 GLY A 127 84.184 -8.679 -12.557 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.074 -7.554 -13.314 1.00 10.50 H new ATOM 325 N GLY A 128 85.857 -6.240 -12.247 1.00 9.48 N ATOM 326 CA GLY A 128 87.006 -5.454 -12.656 1.00 9.18 C ATOM 327 C GLY A 128 88.208 -5.670 -11.753 1.00 8.58 C ATOM 328 O GLY A 128 88.052 -5.890 -10.553 1.00 8.03 O ATOM 0 H GLY A 128 85.710 -6.293 -11.239 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.274 -5.713 -13.680 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.739 -4.397 -12.654 1.00 9.18 H new ATOM 332 N PRO A 129 89.432 -5.615 -12.308 1.00 8.71 N ATOM 333 CA PRO A 129 90.659 -5.810 -11.532 1.00 8.20 C ATOM 334 C PRO A 129 90.980 -4.619 -10.634 1.00 7.43 C ATOM 335 O PRO A 129 90.332 -3.575 -10.714 1.00 7.36 O ATOM 336 CB PRO A 129 91.736 -5.963 -12.608 1.00 8.64 C ATOM 337 CG PRO A 129 91.209 -5.209 -13.778 1.00 9.37 C ATOM 338 CD PRO A 129 89.713 -5.359 -13.734 1.00 9.42 C ATOM 0 HA PRO A 129 90.579 -6.662 -10.857 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.691 -5.558 -12.273 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.903 -7.011 -12.855 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.497 -4.159 -13.726 1.00 9.37 H new ATOM 0 HG3 PRO A 129 91.613 -5.604 -14.710 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.209 -4.459 -14.087 1.00 9.42 H new ATOM 0 HD3 PRO A 129 89.374 -6.182 -14.364 1.00 9.42 H new ATOM 346 N GLY A 130 91.995 -4.782 -9.793 1.00 6.90 N ATOM 347 CA GLY A 130 92.407 -3.719 -8.904 1.00 6.16 C ATOM 348 C GLY A 130 93.913 -3.615 -8.860 1.00 5.90 C ATOM 349 O GLY A 130 94.603 -4.629 -8.835 1.00 6.04 O ATOM 0 H GLY A 130 92.542 -5.639 -9.713 1.00 6.90 H new ATOM 0 HA2 GLY A 130 91.982 -2.773 -9.238 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.021 -3.906 -7.902 1.00 6.16 H new ATOM 353 N TRP A 131 94.433 -2.400 -8.884 1.00 5.60 N ATOM 354 CA TRP A 131 95.873 -2.206 -8.875 1.00 5.39 C ATOM 355 C TRP A 131 96.334 -1.509 -7.599 1.00 4.56 C ATOM 356 O TRP A 131 95.996 -0.351 -7.352 1.00 4.36 O ATOM 357 CB TRP A 131 96.292 -1.407 -10.107 1.00 5.91 C ATOM 358 CG TRP A 131 96.241 -2.213 -11.369 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.209 -3.000 -11.796 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.264 -2.315 -12.366 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.529 -3.588 -12.997 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.784 -3.182 -13.368 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.538 -1.760 -12.510 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.535 -3.503 -14.496 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.282 -2.079 -13.630 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.778 -2.943 -14.611 1.00 8.26 C ATOM 0 H TRP A 131 93.886 -1.540 -8.910 1.00 5.60 H new ATOM 0 HA TRP A 131 96.352 -3.185 -8.902 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.641 -0.539 -10.210 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.305 -1.031 -9.963 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.278 -3.140 -11.267 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.930 -4.223 -13.525 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.935 -1.093 -11.759 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 97.150 -4.170 -15.253 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.268 -1.655 -13.751 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.383 -3.172 -15.476 1.00 8.26 H new ATOM 377 N CYS A 132 97.110 -2.227 -6.792 1.00 4.17 N ATOM 378 CA CYS A 132 97.624 -1.691 -5.538 1.00 3.38 C ATOM 379 C CYS A 132 98.428 -0.418 -5.779 1.00 3.29 C ATOM 380 O CYS A 132 99.633 -0.469 -6.029 1.00 3.32 O ATOM 381 CB CYS A 132 98.487 -2.737 -4.834 1.00 3.20 C ATOM 382 SG CYS A 132 99.221 -2.164 -3.269 1.00 2.31 S ATOM 0 H CYS A 132 97.397 -3.186 -6.987 1.00 4.17 H new ATOM 0 HA CYS A 132 96.777 -1.442 -4.899 1.00 3.38 H new ATOM 0 HB2 CYS A 132 97.880 -3.620 -4.636 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.287 -3.045 -5.507 1.00 3.20 H new ATOM 387 N ASP A 133 97.746 0.720 -5.698 1.00 3.33 N ATOM 388 CA ASP A 133 98.376 2.023 -5.909 1.00 3.56 C ATOM 389 C ASP A 133 99.718 2.120 -5.191 1.00 3.14 C ATOM 390 O ASP A 133 100.647 2.767 -5.673 1.00 3.53 O ATOM 391 CB ASP A 133 97.447 3.140 -5.429 1.00 3.65 C ATOM 392 CG ASP A 133 96.282 3.368 -6.374 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.498 3.324 -7.603 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.154 3.594 -5.885 1.00 3.89 O ATOM 0 H ASP A 133 96.749 0.768 -5.486 1.00 3.33 H new ATOM 0 HA ASP A 133 98.558 2.135 -6.978 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.065 2.891 -4.439 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.016 4.064 -5.328 1.00 3.65 H new ATOM 399 N LEU A 134 99.812 1.470 -4.037 1.00 2.45 N ATOM 400 CA LEU A 134 101.039 1.479 -3.252 1.00 2.10 C ATOM 401 C LEU A 134 102.181 0.833 -4.034 1.00 2.27 C ATOM 402 O LEU A 134 103.229 1.443 -4.245 1.00 2.50 O ATOM 403 CB LEU A 134 100.801 0.755 -1.915 1.00 1.47 C ATOM 404 CG LEU A 134 101.968 -0.084 -1.375 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.880 0.765 -0.504 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.437 -1.274 -0.594 1.00 1.35 C ATOM 0 H LEU A 134 99.052 0.930 -3.624 1.00 2.45 H new ATOM 0 HA LEU A 134 101.325 2.510 -3.043 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.541 1.501 -1.164 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.935 0.102 -2.029 1.00 1.47 H new ATOM 0 HG LEU A 134 102.552 -0.453 -2.218 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.701 0.152 -0.131 1.00 1.61 H new ATOM 0 HD12 LEU A 134 103.281 1.590 -1.093 1.00 1.61 H new ATOM 0 HD13 LEU A 134 102.313 1.163 0.337 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.272 -1.863 -0.215 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.834 -0.921 0.242 1.00 1.35 H new ATOM 0 HD23 LEU A 134 100.823 -1.894 -1.248 1.00 1.35 H new ATOM 418 N CYS A 135 101.969 -0.410 -4.456 1.00 2.35 N ATOM 419 CA CYS A 135 102.977 -1.148 -5.208 1.00 2.66 C ATOM 420 C CYS A 135 102.807 -0.926 -6.707 1.00 3.37 C ATOM 421 O CYS A 135 103.656 -0.316 -7.355 1.00 3.63 O ATOM 422 CB CYS A 135 102.893 -2.647 -4.894 1.00 2.75 C ATOM 423 SG CYS A 135 102.456 -3.035 -3.167 1.00 2.27 S ATOM 0 H CYS A 135 101.106 -0.928 -4.289 1.00 2.35 H new ATOM 0 HA CYS A 135 103.957 -0.776 -4.908 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.154 -3.102 -5.553 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.853 -3.108 -5.125 1.00 2.75 H new ATOM 428 N GLY A 136 101.704 -1.430 -7.251 1.00 3.77 N ATOM 429 CA GLY A 136 101.440 -1.281 -8.670 1.00 4.51 C ATOM 430 C GLY A 136 100.982 -2.575 -9.319 1.00 5.01 C ATOM 431 O GLY A 136 100.528 -2.575 -10.463 1.00 5.65 O ATOM 0 H GLY A 136 100.988 -1.939 -6.734 1.00 3.77 H new ATOM 0 HA2 GLY A 136 100.677 -0.516 -8.815 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.343 -0.929 -9.169 1.00 4.51 H new ATOM 435 N ARG A 137 101.102 -3.682 -8.590 1.00 4.84 N ATOM 436 CA ARG A 137 100.696 -4.985 -9.104 1.00 5.43 C ATOM 437 C ARG A 137 99.177 -5.127 -9.085 1.00 5.63 C ATOM 438 O ARG A 137 98.462 -4.202 -8.703 1.00 5.30 O ATOM 439 CB ARG A 137 101.334 -6.103 -8.278 1.00 5.35 C ATOM 440 CG ARG A 137 102.826 -6.261 -8.522 1.00 5.18 C ATOM 441 CD ARG A 137 103.566 -6.612 -7.241 1.00 5.55 C ATOM 442 NE ARG A 137 104.877 -5.972 -7.174 1.00 5.46 N ATOM 443 CZ ARG A 137 105.956 -6.420 -7.812 1.00 5.99 C ATOM 444 NH1 ARG A 137 105.884 -7.508 -8.568 1.00 6.61 N ATOM 445 NH2 ARG A 137 107.109 -5.777 -7.695 1.00 6.15 N ATOM 0 H ARG A 137 101.477 -3.701 -7.642 1.00 4.84 H new ATOM 0 HA ARG A 137 101.038 -5.064 -10.136 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.166 -5.903 -7.220 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.835 -7.044 -8.508 1.00 5.35 H new ATOM 0 HG2 ARG A 137 102.994 -7.040 -9.265 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.228 -5.336 -8.934 1.00 5.18 H new ATOM 0 HD2 ARG A 137 102.969 -6.306 -6.382 1.00 5.55 H new ATOM 0 HD3 ARG A 137 103.687 -7.693 -7.177 1.00 5.55 H new ATOM 0 HE ARG A 137 104.972 -5.131 -6.604 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.999 -8.006 -8.663 1.00 6.61 H new ATOM 0 HH12 ARG A 137 106.714 -7.847 -9.055 1.00 6.61 H new ATOM 0 HH21 ARG A 137 107.169 -4.939 -7.116 1.00 6.15 H new ATOM 0 HH22 ARG A 137 107.936 -6.120 -8.184 1.00 6.15 H new ATOM 459 N GLU A 138 98.693 -6.291 -9.502 1.00 6.20 N ATOM 460 CA GLU A 138 97.260 -6.555 -9.533 1.00 6.47 C ATOM 461 C GLU A 138 96.779 -7.105 -8.193 1.00 6.14 C ATOM 462 O GLU A 138 97.370 -8.034 -7.642 1.00 6.19 O ATOM 463 CB GLU A 138 96.925 -7.541 -10.655 1.00 7.34 C ATOM 464 CG GLU A 138 95.678 -7.167 -11.441 1.00 8.03 C ATOM 465 CD GLU A 138 94.484 -8.033 -11.086 1.00 8.64 C ATOM 466 OE1 GLU A 138 94.437 -9.194 -11.541 1.00 9.02 O ATOM 467 OE2 GLU A 138 93.596 -7.548 -10.354 1.00 8.93 O ATOM 0 H GLU A 138 99.272 -7.067 -9.823 1.00 6.20 H new ATOM 0 HA GLU A 138 96.746 -5.613 -9.723 1.00 6.47 H new ATOM 0 HB2 GLU A 138 97.771 -7.601 -11.339 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.790 -8.534 -10.227 1.00 7.34 H new ATOM 0 HG2 GLU A 138 95.433 -6.122 -11.252 1.00 8.03 H new ATOM 0 HG3 GLU A 138 95.884 -7.258 -12.507 1.00 8.03 H new ATOM 474 N VAL A 139 95.702 -6.523 -7.676 1.00 5.87 N ATOM 475 CA VAL A 139 95.138 -6.951 -6.403 1.00 5.60 C ATOM 476 C VAL A 139 94.015 -7.965 -6.608 1.00 6.26 C ATOM 477 O VAL A 139 93.041 -7.696 -7.309 1.00 6.56 O ATOM 478 CB VAL A 139 94.605 -5.747 -5.592 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.683 -4.683 -5.442 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.356 -5.163 -6.239 1.00 5.14 C ATOM 0 H VAL A 139 95.202 -5.753 -8.120 1.00 5.87 H new ATOM 0 HA VAL A 139 95.943 -7.425 -5.841 1.00 5.60 H new ATOM 0 HB VAL A 139 94.333 -6.102 -4.598 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.289 -3.844 -4.869 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.542 -5.106 -4.922 1.00 4.29 H new ATOM 0 HG13 VAL A 139 95.991 -4.336 -6.428 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.002 -4.318 -5.649 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.592 -4.827 -7.249 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.579 -5.926 -6.283 1.00 5.14 H new ATOM 490 N LEU A 140 94.164 -9.134 -5.991 1.00 6.55 N ATOM 491 CA LEU A 140 93.166 -10.188 -6.105 1.00 7.22 C ATOM 492 C LEU A 140 92.003 -9.937 -5.147 1.00 6.99 C ATOM 493 O LEU A 140 90.869 -9.722 -5.575 1.00 7.24 O ATOM 494 CB LEU A 140 93.808 -11.549 -5.819 1.00 7.76 C ATOM 495 CG LEU A 140 92.828 -12.686 -5.530 1.00 8.26 C ATOM 496 CD1 LEU A 140 91.899 -12.906 -6.713 1.00 8.62 C ATOM 497 CD2 LEU A 140 93.580 -13.967 -5.196 1.00 8.78 C ATOM 0 H LEU A 140 94.966 -9.373 -5.408 1.00 6.55 H new ATOM 0 HA LEU A 140 92.775 -10.188 -7.122 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.422 -11.830 -6.675 1.00 7.76 H new ATOM 0 HB3 LEU A 140 94.479 -11.444 -4.966 1.00 7.76 H new ATOM 0 HG LEU A 140 92.224 -12.406 -4.667 1.00 8.26 H new ATOM 0 HD11 LEU A 140 91.209 -13.719 -6.488 1.00 8.62 H new ATOM 0 HD12 LEU A 140 91.334 -11.994 -6.906 1.00 8.62 H new ATOM 0 HD13 LEU A 140 92.487 -13.163 -7.594 1.00 8.62 H new ATOM 0 HD21 LEU A 140 92.866 -14.766 -4.993 1.00 8.78 H new ATOM 0 HD22 LEU A 140 94.210 -14.249 -6.039 1.00 8.78 H new ATOM 0 HD23 LEU A 140 94.203 -13.805 -4.316 1.00 8.78 H new ATOM 509 N ARG A 141 92.295 -9.963 -3.851 1.00 6.56 N ATOM 510 CA ARG A 141 91.275 -9.737 -2.835 1.00 6.36 C ATOM 511 C ARG A 141 90.729 -8.314 -2.921 1.00 5.74 C ATOM 512 O ARG A 141 91.157 -7.525 -3.763 1.00 5.48 O ATOM 513 CB ARG A 141 91.847 -9.994 -1.439 1.00 6.20 C ATOM 514 CG ARG A 141 91.475 -11.354 -0.871 1.00 6.87 C ATOM 515 CD ARG A 141 90.231 -11.272 0.000 1.00 7.11 C ATOM 516 NE ARG A 141 89.548 -12.559 0.104 1.00 7.57 N ATOM 517 CZ ARG A 141 89.942 -13.546 0.906 1.00 8.00 C ATOM 518 NH1 ARG A 141 91.014 -13.398 1.674 1.00 8.08 N ATOM 519 NH2 ARG A 141 89.261 -14.684 0.940 1.00 8.60 N ATOM 0 H ARG A 141 93.229 -10.138 -3.480 1.00 6.56 H new ATOM 0 HA ARG A 141 90.456 -10.433 -3.016 1.00 6.36 H new ATOM 0 HB2 ARG A 141 92.933 -9.911 -1.479 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.493 -9.217 -0.761 1.00 6.20 H new ATOM 0 HG2 ARG A 141 91.304 -12.056 -1.687 1.00 6.87 H new ATOM 0 HG3 ARG A 141 92.306 -11.744 -0.284 1.00 6.87 H new ATOM 0 HD2 ARG A 141 90.508 -10.928 0.996 1.00 7.11 H new ATOM 0 HD3 ARG A 141 89.547 -10.531 -0.414 1.00 7.11 H new ATOM 0 HE ARG A 141 88.720 -12.711 -0.472 1.00 7.57 H new ATOM 0 HH11 ARG A 141 91.541 -12.525 1.652 1.00 8.08 H new ATOM 0 HH12 ARG A 141 91.311 -14.157 2.287 1.00 8.08 H new ATOM 0 HH21 ARG A 141 88.436 -14.802 0.352 1.00 8.60 H new ATOM 0 HH22 ARG A 141 89.562 -15.441 1.554 1.00 8.60 H new ATOM 533 N GLN A 142 89.786 -7.994 -2.043 1.00 5.55 N ATOM 534 CA GLN A 142 89.184 -6.665 -2.017 1.00 4.97 C ATOM 535 C GLN A 142 90.156 -5.642 -1.439 1.00 4.20 C ATOM 536 O GLN A 142 90.360 -5.582 -0.227 1.00 3.88 O ATOM 537 CB GLN A 142 87.891 -6.686 -1.199 1.00 4.98 C ATOM 538 CG GLN A 142 86.688 -6.135 -1.948 1.00 5.49 C ATOM 539 CD GLN A 142 85.397 -6.834 -1.569 1.00 6.00 C ATOM 540 OE1 GLN A 142 85.268 -7.371 -0.468 1.00 6.30 O ATOM 541 NE2 GLN A 142 84.434 -6.833 -2.482 1.00 6.42 N ATOM 0 H GLN A 142 89.421 -8.636 -1.339 1.00 5.55 H new ATOM 0 HA GLN A 142 88.950 -6.375 -3.041 1.00 4.97 H new ATOM 0 HB2 GLN A 142 87.680 -7.711 -0.894 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.038 -6.106 -0.288 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.594 -5.069 -1.743 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.853 -6.240 -3.020 1.00 5.49 H new ATOM 0 HE21 GLN A 142 84.584 -6.376 -3.381 1.00 6.42 H new ATOM 0 HE22 GLN A 142 83.543 -7.289 -2.284 1.00 6.42 H new ATOM 550 N ALA A 143 90.751 -4.839 -2.314 1.00 4.01 N ATOM 551 CA ALA A 143 91.702 -3.819 -1.889 1.00 3.31 C ATOM 552 C ALA A 143 90.999 -2.701 -1.123 1.00 2.66 C ATOM 553 O ALA A 143 89.845 -2.376 -1.401 1.00 2.78 O ATOM 554 CB ALA A 143 92.438 -3.253 -3.094 1.00 3.47 C ATOM 0 H ALA A 143 90.592 -4.875 -3.321 1.00 4.01 H new ATOM 0 HA ALA A 143 92.425 -4.285 -1.220 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.145 -2.492 -2.764 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.977 -4.054 -3.601 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.720 -2.807 -3.782 1.00 3.47 H new ATOM 560 N LEU A 144 91.704 -2.116 -0.161 1.00 2.03 N ATOM 561 CA LEU A 144 91.147 -1.033 0.642 1.00 1.43 C ATOM 562 C LEU A 144 91.734 0.308 0.211 1.00 1.04 C ATOM 563 O LEU A 144 92.953 0.472 0.147 1.00 0.81 O ATOM 564 CB LEU A 144 91.409 -1.280 2.127 1.00 1.45 C ATOM 565 CG LEU A 144 91.247 -2.732 2.582 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.366 -3.124 3.537 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.890 -2.936 3.239 1.00 2.25 C ATOM 0 H LEU A 144 92.661 -2.373 0.082 1.00 2.03 H new ATOM 0 HA LEU A 144 90.069 -1.004 0.482 1.00 1.43 H new ATOM 0 HB2 LEU A 144 92.422 -0.953 2.360 1.00 1.45 H new ATOM 0 HB3 LEU A 144 90.731 -0.655 2.708 1.00 1.45 H new ATOM 0 HG LEU A 144 91.306 -3.375 1.704 1.00 2.18 H new ATOM 0 HD11 LEU A 144 92.232 -4.160 3.849 1.00 2.76 H new ATOM 0 HD12 LEU A 144 93.327 -3.018 3.034 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.341 -2.476 4.413 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.792 -3.974 3.556 1.00 2.25 H new ATOM 0 HD22 LEU A 144 89.804 -2.282 4.106 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.101 -2.699 2.525 1.00 2.25 H new ATOM 579 N ARG A 145 90.858 1.252 -0.117 1.00 1.33 N ATOM 580 CA ARG A 145 91.287 2.569 -0.581 1.00 1.75 C ATOM 581 C ARG A 145 91.077 3.652 0.470 1.00 1.84 C ATOM 582 O ARG A 145 89.950 4.082 0.714 1.00 2.07 O ATOM 583 CB ARG A 145 90.523 2.942 -1.852 1.00 2.50 C ATOM 584 CG ARG A 145 90.965 4.260 -2.468 1.00 3.14 C ATOM 585 CD ARG A 145 90.089 4.642 -3.648 1.00 3.82 C ATOM 586 NE ARG A 145 88.667 4.612 -3.307 1.00 4.39 N ATOM 587 CZ ARG A 145 87.691 4.516 -4.206 1.00 4.96 C ATOM 588 NH1 ARG A 145 87.973 4.445 -5.501 1.00 5.14 N ATOM 589 NH2 ARG A 145 86.425 4.491 -3.810 1.00 5.67 N ATOM 0 H ARG A 145 89.846 1.131 -0.071 1.00 1.33 H new ATOM 0 HA ARG A 145 92.356 2.508 -0.783 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.649 2.147 -2.587 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.459 2.998 -1.622 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.926 5.047 -1.714 1.00 3.14 H new ATOM 0 HG3 ARG A 145 92.002 4.181 -2.793 1.00 3.14 H new ATOM 0 HD2 ARG A 145 90.359 5.641 -3.991 1.00 3.82 H new ATOM 0 HD3 ARG A 145 90.278 3.959 -4.476 1.00 3.82 H new ATOM 0 HE ARG A 145 88.408 4.668 -2.322 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.944 4.464 -5.813 1.00 5.14 H new ATOM 0 HH12 ARG A 145 87.219 4.372 -6.184 1.00 5.14 H new ATOM 0 HH21 ARG A 145 86.200 4.545 -2.817 1.00 5.67 H new ATOM 0 HH22 ARG A 145 85.676 4.417 -4.499 1.00 5.67 H new ATOM 603 N CYS A 146 92.168 4.105 1.076 1.00 1.92 N ATOM 604 CA CYS A 146 92.092 5.158 2.081 1.00 2.46 C ATOM 605 C CYS A 146 92.013 6.519 1.399 1.00 3.20 C ATOM 606 O CYS A 146 93.013 7.230 1.287 1.00 3.63 O ATOM 607 CB CYS A 146 93.306 5.099 3.016 1.00 2.60 C ATOM 608 SG CYS A 146 93.449 6.513 4.161 1.00 3.57 S ATOM 0 H CYS A 146 93.111 3.762 0.891 1.00 1.92 H new ATOM 0 HA CYS A 146 91.193 5.008 2.679 1.00 2.46 H new ATOM 0 HB2 CYS A 146 93.255 4.179 3.599 1.00 2.60 H new ATOM 0 HB3 CYS A 146 94.212 5.044 2.412 1.00 2.60 H new ATOM 613 N ALA A 147 90.819 6.872 0.938 1.00 3.42 N ATOM 614 CA ALA A 147 90.598 8.142 0.254 1.00 4.19 C ATOM 615 C ALA A 147 90.966 9.340 1.129 1.00 4.75 C ATOM 616 O ALA A 147 90.993 10.476 0.655 1.00 5.41 O ATOM 617 CB ALA A 147 89.148 8.249 -0.196 1.00 4.35 C ATOM 0 H ALA A 147 89.984 6.293 1.026 1.00 3.42 H new ATOM 0 HA ALA A 147 91.253 8.161 -0.617 1.00 4.19 H new ATOM 0 HB1 ALA A 147 88.994 9.200 -0.705 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.917 7.431 -0.878 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.492 8.192 0.673 1.00 4.35 H new ATOM 623 N ASN A 148 91.250 9.091 2.405 1.00 4.58 N ATOM 624 CA ASN A 148 91.613 10.161 3.324 1.00 5.23 C ATOM 625 C ASN A 148 92.977 10.755 2.976 1.00 5.62 C ATOM 626 O ASN A 148 93.266 11.899 3.327 1.00 6.29 O ATOM 627 CB ASN A 148 91.616 9.650 4.766 1.00 5.11 C ATOM 628 CG ASN A 148 90.357 10.032 5.518 1.00 5.34 C ATOM 629 OD1 ASN A 148 89.605 10.908 5.089 1.00 5.63 O ATOM 630 ND2 ASN A 148 90.119 9.376 6.648 1.00 5.41 N ATOM 0 H ASN A 148 91.235 8.161 2.823 1.00 4.58 H new ATOM 0 HA ASN A 148 90.866 10.948 3.227 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.719 8.565 4.764 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.484 10.052 5.289 1.00 5.11 H new ATOM 0 HD21 ASN A 148 89.287 9.591 7.197 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.769 8.657 6.967 1.00 5.41 H new ATOM 637 N CYS A 149 93.817 9.983 2.289 1.00 5.21 N ATOM 638 CA CYS A 149 95.142 10.467 1.914 1.00 5.54 C ATOM 639 C CYS A 149 95.884 9.454 1.049 1.00 5.02 C ATOM 640 O CYS A 149 96.450 9.804 0.014 1.00 5.26 O ATOM 641 CB CYS A 149 95.963 10.779 3.165 1.00 5.86 C ATOM 642 SG CYS A 149 95.855 9.503 4.464 1.00 5.35 S ATOM 0 H CYS A 149 93.607 9.032 1.985 1.00 5.21 H new ATOM 0 HA CYS A 149 95.009 11.378 1.330 1.00 5.54 H new ATOM 0 HB2 CYS A 149 97.007 10.904 2.879 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.629 11.731 3.577 1.00 5.86 H new ATOM 647 N LYS A 150 95.887 8.200 1.484 1.00 4.33 N ATOM 648 CA LYS A 150 96.572 7.142 0.751 1.00 3.79 C ATOM 649 C LYS A 150 95.791 6.747 -0.508 1.00 3.60 C ATOM 650 O LYS A 150 95.219 7.604 -1.181 1.00 4.14 O ATOM 651 CB LYS A 150 96.792 5.926 1.661 1.00 3.18 C ATOM 652 CG LYS A 150 97.190 6.290 3.082 1.00 3.63 C ATOM 653 CD LYS A 150 98.182 5.288 3.655 1.00 3.46 C ATOM 654 CE LYS A 150 99.606 5.610 3.232 1.00 3.65 C ATOM 655 NZ LYS A 150 100.371 6.283 4.317 1.00 3.87 N ATOM 0 H LYS A 150 95.424 7.891 2.339 1.00 4.33 H new ATOM 0 HA LYS A 150 97.544 7.519 0.432 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.877 5.335 1.690 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.567 5.294 1.227 1.00 3.18 H new ATOM 0 HG2 LYS A 150 97.630 7.287 3.094 1.00 3.63 H new ATOM 0 HG3 LYS A 150 96.302 6.326 3.712 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.115 5.290 4.743 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.920 4.284 3.321 1.00 3.46 H new ATOM 0 HE2 LYS A 150 100.116 4.690 2.946 1.00 3.65 H new ATOM 0 HE3 LYS A 150 99.586 6.251 2.351 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 101.336 6.485 3.987 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 99.899 7.174 4.573 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 100.413 5.661 5.150 1.00 3.87 H new ATOM 669 N PHE A 151 95.781 5.454 -0.830 1.00 2.95 N ATOM 670 CA PHE A 151 95.083 4.960 -2.013 1.00 2.98 C ATOM 671 C PHE A 151 94.629 3.512 -1.810 1.00 2.28 C ATOM 672 O PHE A 151 94.627 3.009 -0.686 1.00 1.66 O ATOM 673 CB PHE A 151 95.991 5.065 -3.246 1.00 3.44 C ATOM 674 CG PHE A 151 97.460 4.996 -2.932 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.948 4.062 -2.032 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.352 5.868 -3.536 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.297 3.997 -1.742 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.703 5.806 -3.250 1.00 3.41 C ATOM 679 CZ PHE A 151 100.176 4.870 -2.352 1.00 3.10 C ATOM 0 H PHE A 151 96.250 4.730 -0.286 1.00 2.95 H new ATOM 0 HA PHE A 151 94.198 5.577 -2.173 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.740 4.262 -3.939 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.783 6.004 -3.758 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.265 3.377 -1.552 1.00 3.36 H new ATOM 0 HD2 PHE A 151 97.988 6.604 -4.238 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.664 3.264 -1.039 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.388 6.490 -3.729 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.231 4.821 -2.127 1.00 3.10 H new ATOM 689 N THR A 152 94.237 2.847 -2.898 1.00 2.56 N ATOM 690 CA THR A 152 93.777 1.462 -2.819 1.00 2.30 C ATOM 691 C THR A 152 94.952 0.490 -2.782 1.00 2.04 C ATOM 692 O THR A 152 95.539 0.166 -3.815 1.00 2.50 O ATOM 693 CB THR A 152 92.867 1.135 -4.005 1.00 3.04 C ATOM 694 OG1 THR A 152 92.376 -0.190 -3.909 1.00 3.69 O ATOM 695 CG2 THR A 152 93.554 1.275 -5.346 1.00 3.48 C ATOM 0 H THR A 152 94.229 3.243 -3.838 1.00 2.56 H new ATOM 0 HA THR A 152 93.213 1.351 -1.893 1.00 2.30 H new ATOM 0 HB THR A 152 92.056 1.862 -3.955 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.795 -0.380 -4.675 1.00 3.69 H new ATOM 0 HG21 THR A 152 92.852 1.028 -6.142 1.00 3.48 H new ATOM 0 HG22 THR A 152 93.900 2.301 -5.472 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.406 0.597 -5.391 1.00 3.48 H new ATOM 703 N CYS A 153 95.291 0.031 -1.582 1.00 1.38 N ATOM 704 CA CYS A 153 96.396 -0.901 -1.401 1.00 1.29 C ATOM 705 C CYS A 153 95.889 -2.326 -1.216 1.00 1.85 C ATOM 706 O CYS A 153 94.701 -2.545 -0.975 1.00 2.08 O ATOM 707 CB CYS A 153 97.231 -0.495 -0.185 1.00 0.64 C ATOM 708 SG CYS A 153 98.036 1.117 -0.344 1.00 1.36 S ATOM 0 H CYS A 153 94.814 0.291 -0.718 1.00 1.38 H new ATOM 0 HA CYS A 153 97.014 -0.867 -2.298 1.00 1.29 H new ATOM 0 HB2 CYS A 153 96.588 -0.483 0.695 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.994 -1.254 -0.012 1.00 0.64 H new ATOM 0 HG CYS A 153 97.845 1.581 -1.543 1.00 1.36 H new ATOM 714 N HIS A 154 96.798 -3.291 -1.314 1.00 2.20 N ATOM 715 CA HIS A 154 96.442 -4.694 -1.140 1.00 2.94 C ATOM 716 C HIS A 154 95.905 -4.927 0.267 1.00 3.04 C ATOM 717 O HIS A 154 96.222 -4.179 1.193 1.00 2.70 O ATOM 718 CB HIS A 154 97.658 -5.595 -1.382 1.00 3.32 C ATOM 719 CG HIS A 154 97.968 -5.834 -2.827 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.095 -5.311 -3.411 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.286 -6.558 -3.747 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.077 -5.726 -4.666 1.00 4.13 C ATOM 723 NE2 HIS A 154 97.999 -6.485 -4.916 1.00 4.64 N ATOM 0 H HIS A 154 97.785 -3.127 -1.513 1.00 2.20 H new ATOM 0 HA HIS A 154 95.670 -4.944 -1.868 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.529 -5.146 -0.905 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.487 -6.555 -0.895 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.359 -7.090 -3.590 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.834 -5.485 -5.397 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.757 -6.923 -5.805 1.00 4.64 H new ATOM 731 N SER A 155 95.094 -5.966 0.427 1.00 3.67 N ATOM 732 CA SER A 155 94.517 -6.289 1.727 1.00 3.98 C ATOM 733 C SER A 155 95.594 -6.349 2.808 1.00 4.20 C ATOM 734 O SER A 155 95.630 -5.513 3.711 1.00 4.08 O ATOM 735 CB SER A 155 93.771 -7.624 1.658 1.00 4.76 C ATOM 736 OG SER A 155 92.562 -7.571 2.396 1.00 5.02 O ATOM 0 H SER A 155 94.821 -6.598 -0.325 1.00 3.67 H new ATOM 0 HA SER A 155 93.814 -5.498 1.989 1.00 3.98 H new ATOM 0 HB2 SER A 155 93.556 -7.871 0.618 1.00 4.76 H new ATOM 0 HB3 SER A 155 94.405 -8.419 2.049 1.00 4.76 H new ATOM 0 HG SER A 155 92.103 -8.435 2.335 1.00 5.02 H new ATOM 742 N GLU A 156 96.467 -7.344 2.711 1.00 4.69 N ATOM 743 CA GLU A 156 97.542 -7.518 3.683 1.00 5.06 C ATOM 744 C GLU A 156 98.518 -6.342 3.671 1.00 4.46 C ATOM 745 O GLU A 156 99.319 -6.187 4.592 1.00 4.76 O ATOM 746 CB GLU A 156 98.297 -8.820 3.405 1.00 5.69 C ATOM 747 CG GLU A 156 97.441 -10.065 3.563 1.00 6.28 C ATOM 748 CD GLU A 156 98.251 -11.345 3.466 1.00 6.92 C ATOM 749 OE1 GLU A 156 99.133 -11.422 2.585 1.00 7.29 O ATOM 750 OE2 GLU A 156 98.004 -12.266 4.272 1.00 7.31 O ATOM 0 H GLU A 156 96.453 -8.044 1.969 1.00 4.69 H new ATOM 0 HA GLU A 156 97.085 -7.562 4.672 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.696 -8.790 2.391 1.00 5.69 H new ATOM 0 HB3 GLU A 156 99.150 -8.887 4.081 1.00 5.69 H new ATOM 0 HG2 GLU A 156 96.933 -10.033 4.527 1.00 6.28 H new ATOM 0 HG3 GLU A 156 96.667 -10.070 2.795 1.00 6.28 H new ATOM 757 N CYS A 157 98.459 -5.519 2.627 1.00 3.72 N ATOM 758 CA CYS A 157 99.354 -4.370 2.519 1.00 3.15 C ATOM 759 C CYS A 157 98.969 -3.274 3.506 1.00 3.01 C ATOM 760 O CYS A 157 99.832 -2.573 4.034 1.00 3.02 O ATOM 761 CB CYS A 157 99.348 -3.816 1.093 1.00 2.51 C ATOM 762 SG CYS A 157 100.795 -4.311 0.099 1.00 2.62 S ATOM 0 H CYS A 157 97.807 -5.625 1.850 1.00 3.72 H new ATOM 0 HA CYS A 157 100.360 -4.711 2.763 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.442 -4.150 0.588 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.305 -2.728 1.137 1.00 2.51 H new ATOM 767 N ARG A 158 97.670 -3.126 3.755 1.00 3.04 N ATOM 768 CA ARG A 158 97.189 -2.106 4.682 1.00 3.06 C ATOM 769 C ARG A 158 97.777 -2.314 6.075 1.00 3.76 C ATOM 770 O ARG A 158 97.972 -1.357 6.826 1.00 3.88 O ATOM 771 CB ARG A 158 95.658 -2.113 4.744 1.00 3.18 C ATOM 772 CG ARG A 158 95.071 -3.352 5.407 1.00 3.57 C ATOM 773 CD ARG A 158 94.144 -2.991 6.560 1.00 4.14 C ATOM 774 NE ARG A 158 94.504 -3.689 7.793 1.00 4.64 N ATOM 775 CZ ARG A 158 95.423 -3.254 8.651 1.00 5.27 C ATOM 776 NH1 ARG A 158 96.085 -2.127 8.417 1.00 5.53 N ATOM 777 NH2 ARG A 158 95.683 -3.949 9.751 1.00 5.95 N ATOM 0 H ARG A 158 96.937 -3.695 3.331 1.00 3.04 H new ATOM 0 HA ARG A 158 97.518 -1.134 4.314 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.322 -1.229 5.287 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.263 -2.034 3.731 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.521 -3.934 4.667 1.00 3.57 H new ATOM 0 HG3 ARG A 158 95.879 -3.985 5.775 1.00 3.57 H new ATOM 0 HD2 ARG A 158 94.179 -1.915 6.730 1.00 4.14 H new ATOM 0 HD3 ARG A 158 93.117 -3.238 6.290 1.00 4.14 H new ATOM 0 HE ARG A 158 94.022 -4.562 8.008 1.00 4.64 H new ATOM 0 HH11 ARG A 158 95.891 -1.587 7.574 1.00 5.53 H new ATOM 0 HH12 ARG A 158 96.788 -1.801 9.081 1.00 5.53 H new ATOM 0 HH21 ARG A 158 95.179 -4.816 9.938 1.00 5.95 H new ATOM 0 HH22 ARG A 158 96.387 -3.617 10.410 1.00 5.95 H new ATOM 791 N SER A 159 98.063 -3.568 6.411 1.00 4.35 N ATOM 792 CA SER A 159 98.631 -3.901 7.713 1.00 5.07 C ATOM 793 C SER A 159 100.072 -3.412 7.827 1.00 5.04 C ATOM 794 O SER A 159 100.564 -3.154 8.925 1.00 5.56 O ATOM 795 CB SER A 159 98.576 -5.412 7.942 1.00 5.71 C ATOM 796 OG SER A 159 98.346 -5.711 9.308 1.00 6.02 O ATOM 0 H SER A 159 97.911 -4.370 5.800 1.00 4.35 H new ATOM 0 HA SER A 159 98.037 -3.399 8.477 1.00 5.07 H new ATOM 0 HB2 SER A 159 97.784 -5.847 7.333 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.513 -5.867 7.619 1.00 5.71 H new ATOM 0 HG SER A 159 98.313 -6.683 9.429 1.00 6.02 H new ATOM 802 N LEU A 160 100.747 -3.290 6.687 1.00 4.50 N ATOM 803 CA LEU A 160 102.133 -2.836 6.666 1.00 4.49 C ATOM 804 C LEU A 160 102.226 -1.314 6.556 1.00 4.25 C ATOM 805 O LEU A 160 103.304 -0.772 6.314 1.00 4.39 O ATOM 806 CB LEU A 160 102.883 -3.487 5.503 1.00 4.13 C ATOM 807 CG LEU A 160 102.610 -4.981 5.311 1.00 4.38 C ATOM 808 CD1 LEU A 160 102.508 -5.320 3.833 1.00 4.84 C ATOM 809 CD2 LEU A 160 103.698 -5.810 5.978 1.00 4.59 C ATOM 0 H LEU A 160 100.357 -3.499 5.768 1.00 4.50 H new ATOM 0 HA LEU A 160 102.593 -3.134 7.608 1.00 4.49 H new ATOM 0 HB2 LEU A 160 102.621 -2.964 4.583 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.953 -3.345 5.656 1.00 4.13 H new ATOM 0 HG LEU A 160 101.657 -5.221 5.783 1.00 4.38 H new ATOM 0 HD11 LEU A 160 102.314 -6.386 3.717 1.00 4.84 H new ATOM 0 HD12 LEU A 160 101.693 -4.752 3.385 1.00 4.84 H new ATOM 0 HD13 LEU A 160 103.444 -5.065 3.336 1.00 4.84 H new ATOM 0 HD21 LEU A 160 103.489 -6.870 5.832 1.00 4.59 H new ATOM 0 HD22 LEU A 160 104.664 -5.566 5.535 1.00 4.59 H new ATOM 0 HD23 LEU A 160 103.722 -5.588 7.045 1.00 4.59 H new ATOM 821 N ILE A 161 101.100 -0.628 6.735 1.00 4.04 N ATOM 822 CA ILE A 161 101.079 0.828 6.653 1.00 4.02 C ATOM 823 C ILE A 161 100.800 1.451 8.017 1.00 4.66 C ATOM 824 O ILE A 161 99.651 1.524 8.454 1.00 4.65 O ATOM 825 CB ILE A 161 100.020 1.321 5.648 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.176 0.594 4.311 1.00 2.89 C ATOM 827 CG2 ILE A 161 100.132 2.827 5.454 1.00 3.55 C ATOM 828 CD1 ILE A 161 98.963 0.712 3.415 1.00 2.37 C ATOM 0 H ILE A 161 100.196 -1.055 6.937 1.00 4.04 H new ATOM 0 HA ILE A 161 102.065 1.139 6.309 1.00 4.02 H new ATOM 0 HB ILE A 161 99.031 1.099 6.048 1.00 3.40 H new ATOM 0 HG12 ILE A 161 101.045 0.994 3.788 1.00 2.89 H new ATOM 0 HG13 ILE A 161 100.376 -0.460 4.501 1.00 2.89 H new ATOM 0 HG21 ILE A 161 99.377 3.159 4.741 1.00 3.55 H new ATOM 0 HG22 ILE A 161 99.976 3.329 6.409 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.123 3.072 5.073 1.00 3.55 H new ATOM 0 HD11 ILE A 161 99.144 0.173 2.485 1.00 2.37 H new ATOM 0 HD12 ILE A 161 98.096 0.285 3.919 1.00 2.37 H new ATOM 0 HD13 ILE A 161 98.774 1.763 3.195 1.00 2.37 H new ATOM 840 N GLN A 162 101.859 1.896 8.685 1.00 5.30 N ATOM 841 CA GLN A 162 101.731 2.510 10.001 1.00 6.01 C ATOM 842 C GLN A 162 101.881 4.027 9.910 1.00 6.16 C ATOM 843 O GLN A 162 102.980 4.560 10.057 1.00 6.76 O ATOM 844 CB GLN A 162 102.781 1.936 10.957 1.00 6.80 C ATOM 845 CG GLN A 162 102.183 1.168 12.124 1.00 6.97 C ATOM 846 CD GLN A 162 102.480 1.815 13.463 1.00 7.56 C ATOM 847 OE1 GLN A 162 103.576 1.675 14.004 1.00 8.05 O ATOM 848 NE2 GLN A 162 101.500 2.529 14.006 1.00 7.77 N ATOM 0 H GLN A 162 102.816 1.843 8.336 1.00 5.30 H new ATOM 0 HA GLN A 162 100.737 2.285 10.387 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.445 1.275 10.400 1.00 6.80 H new ATOM 0 HB3 GLN A 162 103.393 2.751 11.344 1.00 6.80 H new ATOM 0 HG2 GLN A 162 101.104 1.096 11.991 1.00 6.97 H new ATOM 0 HG3 GLN A 162 102.573 0.150 12.122 1.00 6.97 H new ATOM 0 HE21 GLN A 162 100.606 2.619 13.523 1.00 7.77 H new ATOM 0 HE22 GLN A 162 101.641 2.987 14.906 1.00 7.77 H new ATOM 857 N LEU A 163 100.771 4.715 9.667 1.00 5.80 N ATOM 858 CA LEU A 163 100.784 6.169 9.558 1.00 6.11 C ATOM 859 C LEU A 163 99.379 6.742 9.704 1.00 6.27 C ATOM 860 O LEU A 163 98.394 6.098 9.345 1.00 6.00 O ATOM 861 CB LEU A 163 101.382 6.594 8.215 1.00 5.81 C ATOM 862 CG LEU A 163 101.739 8.077 8.107 1.00 6.22 C ATOM 863 CD1 LEU A 163 103.167 8.316 8.575 1.00 6.32 C ATOM 864 CD2 LEU A 163 101.554 8.566 6.678 1.00 6.57 C ATOM 0 H LEU A 163 99.852 4.290 9.542 1.00 5.80 H new ATOM 0 HA LEU A 163 101.401 6.562 10.366 1.00 6.11 H new ATOM 0 HB2 LEU A 163 102.281 6.005 8.032 1.00 5.81 H new ATOM 0 HB3 LEU A 163 100.673 6.348 7.424 1.00 5.81 H new ATOM 0 HG LEU A 163 101.067 8.643 8.753 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.405 9.377 8.491 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.267 8.003 9.614 1.00 6.32 H new ATOM 0 HD13 LEU A 163 103.854 7.740 7.955 1.00 6.32 H new ATOM 0 HD21 LEU A 163 101.812 9.623 6.619 1.00 6.57 H new ATOM 0 HD22 LEU A 163 102.202 7.996 6.012 1.00 6.57 H new ATOM 0 HD23 LEU A 163 100.515 8.429 6.378 1.00 6.57 H new ATOM 876 N ASP A 164 99.296 7.959 10.233 1.00 6.82 N ATOM 877 CA ASP A 164 98.012 8.622 10.427 1.00 7.11 C ATOM 878 C ASP A 164 97.606 9.391 9.173 1.00 6.85 C ATOM 879 O ASP A 164 98.425 9.631 8.288 1.00 6.80 O ATOM 880 CB ASP A 164 98.081 9.569 11.626 1.00 7.92 C ATOM 881 CG ASP A 164 96.959 9.329 12.618 1.00 8.46 C ATOM 882 OD1 ASP A 164 96.541 8.161 12.768 1.00 8.71 O ATOM 883 OD2 ASP A 164 96.499 10.306 13.244 1.00 8.87 O ATOM 0 H ASP A 164 100.103 8.505 10.535 1.00 6.82 H new ATOM 0 HA ASP A 164 97.259 7.859 10.622 1.00 7.11 H new ATOM 0 HB2 ASP A 164 99.040 9.444 12.129 1.00 7.92 H new ATOM 0 HB3 ASP A 164 98.037 10.600 11.274 1.00 7.92 H new ATOM 888 N CYS A 165 96.334 9.771 9.104 1.00 6.77 N ATOM 889 CA CYS A 165 95.819 10.511 7.957 1.00 6.61 C ATOM 890 C CYS A 165 96.531 11.851 7.809 1.00 7.27 C ATOM 891 O CYS A 165 96.297 12.779 8.582 1.00 7.79 O ATOM 892 CB CYS A 165 94.314 10.732 8.096 1.00 6.46 C ATOM 893 SG CYS A 165 93.306 9.271 7.684 1.00 5.92 S ATOM 0 H CYS A 165 95.642 9.579 9.828 1.00 6.77 H new ATOM 0 HA CYS A 165 96.009 9.919 7.062 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.095 11.034 9.120 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.018 11.558 7.450 1.00 6.46 H new ATOM 898 N ARG A 166 97.401 11.943 6.809 1.00 7.27 N ATOM 899 CA ARG A 166 98.149 13.168 6.555 1.00 7.93 C ATOM 900 C ARG A 166 97.277 14.202 5.850 1.00 8.10 C ATOM 901 O ARG A 166 97.210 15.353 6.276 1.00 0.00 O ATOM 902 CB ARG A 166 99.387 12.868 5.707 1.00 7.96 C ATOM 903 CG ARG A 166 99.075 12.115 4.422 1.00 7.80 C ATOM 904 CD ARG A 166 100.230 12.194 3.437 1.00 8.18 C ATOM 905 NE ARG A 166 99.974 13.155 2.368 1.00 8.38 N ATOM 906 CZ ARG A 166 100.924 13.673 1.593 1.00 8.69 C ATOM 907 NH1 ARG A 166 102.193 13.324 1.765 1.00 8.85 N ATOM 908 NH2 ARG A 166 100.605 14.541 0.644 1.00 9.07 N ATOM 0 H ARG A 166 97.605 11.183 6.161 1.00 7.27 H new ATOM 0 HA ARG A 166 98.464 13.577 7.515 1.00 7.93 H new ATOM 0 HB2 ARG A 166 99.883 13.806 5.458 1.00 7.96 H new ATOM 0 HB3 ARG A 166 100.091 12.283 6.300 1.00 7.96 H new ATOM 0 HG2 ARG A 166 98.863 11.071 4.653 1.00 7.80 H new ATOM 0 HG3 ARG A 166 98.176 12.529 3.965 1.00 7.80 H new ATOM 0 HD2 ARG A 166 101.140 12.476 3.967 1.00 8.18 H new ATOM 0 HD3 ARG A 166 100.405 11.209 3.004 1.00 8.18 H new ATOM 0 HE ARG A 166 99.010 13.447 2.206 1.00 8.38 H new ATOM 0 HH11 ARG A 166 102.444 12.656 2.494 1.00 8.85 H new ATOM 0 HH12 ARG A 166 102.917 13.724 1.168 1.00 8.85 H new ATOM 0 HH21 ARG A 166 99.631 14.812 0.507 1.00 9.07 H new ATOM 0 HH22 ARG A 166 101.333 14.938 0.050 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.360 -4.000 -2.142 1.00 2.57 ZN HETATM 924 ZN ZN A 2 94.228 8.203 5.863 1.00 4.87 ZN