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 150 LYS NZ :NH3+ -135:sc= -8.2! (180deg=-9.53!) USER MOD Set 1.2: A 153 CYS SG : rot -34:sc= -0.978 USER MOD Single : A 118 HIS : no HD1:sc= -7.54 K(o=-7.5,f=-5.7) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 ASN : amide:sc= -0.957 K(o=-0.96,f=-2.7!) USER MOD Single : A 152 THR OG1 : rot 140:sc= -1.68 USER MOD Single : A 155 SER OG : rot -120:sc= -0.694 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 81.481 24.721 3.424 1.00 10.33 N ATOM 2 CA PRO A 108 80.617 23.578 3.831 1.00 9.87 C ATOM 3 C PRO A 108 81.421 22.291 4.005 1.00 9.14 C ATOM 4 O PRO A 108 81.981 21.763 3.045 1.00 9.03 O ATOM 5 CB PRO A 108 79.551 23.400 2.752 1.00 10.34 C ATOM 6 CG PRO A 108 79.956 24.347 1.673 1.00 11.01 C ATOM 7 CD PRO A 108 80.779 25.424 2.339 1.00 10.96 C ATOM 0 HA PRO A 108 80.161 23.792 4.798 1.00 9.87 H new ATOM 0 HB2 PRO A 108 79.521 22.373 2.389 1.00 10.34 H new ATOM 0 HB3 PRO A 108 78.557 23.633 3.133 1.00 10.34 H new ATOM 0 HG2 PRO A 108 80.535 23.835 0.904 1.00 11.01 H new ATOM 0 HG3 PRO A 108 79.081 24.774 1.182 1.00 11.01 H new ATOM 0 HD2 PRO A 108 81.480 25.879 1.640 1.00 10.96 H new ATOM 0 HD3 PRO A 108 80.149 26.225 2.725 1.00 10.96 H new ATOM 17 N ARG A 109 81.471 21.793 5.236 1.00 8.91 N ATOM 18 CA ARG A 109 82.206 20.569 5.534 1.00 8.49 C ATOM 19 C ARG A 109 81.428 19.341 5.070 1.00 7.86 C ATOM 20 O ARG A 109 80.817 18.639 5.874 1.00 7.78 O ATOM 21 CB ARG A 109 82.491 20.472 7.035 1.00 8.84 C ATOM 22 CG ARG A 109 81.233 20.449 7.892 1.00 9.50 C ATOM 23 CD ARG A 109 81.090 21.724 8.710 1.00 10.20 C ATOM 24 NE ARG A 109 79.830 21.760 9.449 1.00 10.78 N ATOM 25 CZ ARG A 109 79.397 22.823 10.125 1.00 11.32 C ATOM 26 NH1 ARG A 109 80.118 23.937 10.157 1.00 11.37 N ATOM 27 NH2 ARG A 109 78.239 22.772 10.770 1.00 12.00 N ATOM 0 H ARG A 109 81.012 22.217 6.042 1.00 8.91 H new ATOM 0 HA ARG A 109 83.152 20.602 4.994 1.00 8.49 H new ATOM 0 HB2 ARG A 109 83.070 19.569 7.229 1.00 8.84 H new ATOM 0 HB3 ARG A 109 83.110 21.318 7.335 1.00 8.84 H new ATOM 0 HG2 ARG A 109 80.359 20.326 7.253 1.00 9.50 H new ATOM 0 HG3 ARG A 109 81.263 19.588 8.560 1.00 9.50 H new ATOM 0 HD2 ARG A 109 81.923 21.802 9.409 1.00 10.20 H new ATOM 0 HD3 ARG A 109 81.147 22.588 8.048 1.00 10.20 H new ATOM 0 HE ARG A 109 79.248 20.922 9.447 1.00 10.78 H new ATOM 0 HH11 ARG A 109 81.009 23.982 9.662 1.00 11.37 H new ATOM 0 HH12 ARG A 109 79.781 24.748 10.676 1.00 11.37 H new ATOM 0 HH21 ARG A 109 77.680 21.919 10.748 1.00 12.00 H new ATOM 0 HH22 ARG A 109 77.907 23.586 11.288 1.00 12.00 H new ATOM 41 N VAL A 110 81.454 19.091 3.765 1.00 7.68 N ATOM 42 CA VAL A 110 80.750 17.951 3.191 1.00 7.34 C ATOM 43 C VAL A 110 81.657 16.727 3.107 1.00 6.54 C ATOM 44 O VAL A 110 81.188 15.589 3.174 1.00 6.26 O ATOM 45 CB VAL A 110 80.212 18.272 1.785 1.00 7.82 C ATOM 46 CG1 VAL A 110 79.039 19.237 1.869 1.00 8.21 C ATOM 47 CG2 VAL A 110 81.318 18.841 0.908 1.00 8.46 C ATOM 0 H VAL A 110 81.955 19.663 3.085 1.00 7.68 H new ATOM 0 HA VAL A 110 79.912 17.734 3.853 1.00 7.34 H new ATOM 0 HB VAL A 110 79.859 17.346 1.331 1.00 7.82 H new ATOM 0 HG11 VAL A 110 78.672 19.452 0.865 1.00 8.21 H new ATOM 0 HG12 VAL A 110 78.240 18.788 2.459 1.00 8.21 H new ATOM 0 HG13 VAL A 110 79.363 20.163 2.343 1.00 8.21 H new ATOM 0 HG21 VAL A 110 80.920 19.062 -0.082 1.00 8.46 H new ATOM 0 HG22 VAL A 110 81.704 19.756 1.357 1.00 8.46 H new ATOM 0 HG23 VAL A 110 82.124 18.112 0.820 1.00 8.46 H new ATOM 57 N LEU A 111 82.956 16.966 2.959 1.00 6.49 N ATOM 58 CA LEU A 111 83.927 15.882 2.863 1.00 6.05 C ATOM 59 C LEU A 111 84.028 15.122 4.181 1.00 5.68 C ATOM 60 O LEU A 111 83.441 15.521 5.187 1.00 6.10 O ATOM 61 CB LEU A 111 85.299 16.433 2.472 1.00 6.60 C ATOM 62 CG LEU A 111 85.566 16.498 0.967 1.00 6.95 C ATOM 63 CD1 LEU A 111 86.808 17.329 0.681 1.00 7.53 C ATOM 64 CD2 LEU A 111 85.711 15.096 0.390 1.00 7.37 C ATOM 0 H LEU A 111 83.361 17.901 2.903 1.00 6.49 H new ATOM 0 HA LEU A 111 83.587 15.190 2.092 1.00 6.05 H new ATOM 0 HB2 LEU A 111 85.403 17.435 2.888 1.00 6.60 H new ATOM 0 HB3 LEU A 111 86.068 15.814 2.936 1.00 6.60 H new ATOM 0 HG LEU A 111 84.715 16.979 0.486 1.00 6.95 H new ATOM 0 HD11 LEU A 111 86.983 17.364 -0.394 1.00 7.53 H new ATOM 0 HD12 LEU A 111 86.663 18.341 1.059 1.00 7.53 H new ATOM 0 HD13 LEU A 111 87.669 16.878 1.174 1.00 7.53 H new ATOM 0 HD21 LEU A 111 85.900 15.161 -0.681 1.00 7.37 H new ATOM 0 HD22 LEU A 111 86.544 14.587 0.875 1.00 7.37 H new ATOM 0 HD23 LEU A 111 84.793 14.535 0.562 1.00 7.37 H new ATOM 76 N ALA A 112 84.779 14.025 4.168 1.00 5.15 N ATOM 77 CA ALA A 112 84.960 13.208 5.363 1.00 4.90 C ATOM 78 C ALA A 112 86.259 13.564 6.077 1.00 5.28 C ATOM 79 O ALA A 112 87.207 12.780 6.091 1.00 5.66 O ATOM 80 CB ALA A 112 84.943 11.731 4.997 1.00 4.47 C ATOM 0 H ALA A 112 85.272 13.681 3.344 1.00 5.15 H new ATOM 0 HA ALA A 112 84.134 13.412 6.044 1.00 4.90 H new ATOM 0 HB1 ALA A 112 85.079 11.132 5.897 1.00 4.47 H new ATOM 0 HB2 ALA A 112 83.987 11.481 4.536 1.00 4.47 H new ATOM 0 HB3 ALA A 112 85.750 11.521 4.296 1.00 4.47 H new ATOM 86 N GLU A 113 86.294 14.752 6.670 1.00 5.43 N ATOM 87 CA GLU A 113 87.476 15.215 7.386 1.00 5.94 C ATOM 88 C GLU A 113 87.563 14.574 8.768 1.00 6.10 C ATOM 89 O GLU A 113 88.653 14.327 9.281 1.00 6.17 O ATOM 90 CB GLU A 113 87.455 16.741 7.515 1.00 6.32 C ATOM 91 CG GLU A 113 88.495 17.437 6.652 1.00 6.89 C ATOM 92 CD GLU A 113 87.991 18.745 6.072 1.00 7.44 C ATOM 93 OE1 GLU A 113 87.987 19.757 6.806 1.00 7.92 O ATOM 94 OE2 GLU A 113 87.602 18.757 4.887 1.00 7.69 O ATOM 0 H GLU A 113 85.516 15.412 6.669 1.00 5.43 H new ATOM 0 HA GLU A 113 88.356 14.919 6.815 1.00 5.94 H new ATOM 0 HB2 GLU A 113 86.465 17.107 7.243 1.00 6.32 H new ATOM 0 HB3 GLU A 113 87.620 17.012 8.558 1.00 6.32 H new ATOM 0 HG2 GLU A 113 89.387 17.628 7.248 1.00 6.89 H new ATOM 0 HG3 GLU A 113 88.790 16.773 5.839 1.00 6.89 H new ATOM 101 N ARG A 114 86.405 14.306 9.364 1.00 6.45 N ATOM 102 CA ARG A 114 86.349 13.693 10.686 1.00 6.82 C ATOM 103 C ARG A 114 86.470 12.175 10.588 1.00 6.52 C ATOM 104 O ARG A 114 85.940 11.558 9.662 1.00 6.48 O ATOM 105 CB ARG A 114 85.044 14.069 11.391 1.00 7.39 C ATOM 106 CG ARG A 114 83.804 13.510 10.713 1.00 8.23 C ATOM 107 CD ARG A 114 82.725 14.571 10.557 1.00 8.84 C ATOM 108 NE ARG A 114 83.116 15.614 9.609 1.00 9.52 N ATOM 109 CZ ARG A 114 82.251 16.382 8.950 1.00 10.11 C ATOM 110 NH1 ARG A 114 80.943 16.232 9.132 1.00 10.12 N ATOM 111 NH2 ARG A 114 82.693 17.304 8.107 1.00 10.88 N ATOM 0 H ARG A 114 85.493 14.504 8.952 1.00 6.45 H new ATOM 0 HA ARG A 114 87.190 14.069 11.269 1.00 6.82 H new ATOM 0 HB2 ARG A 114 85.079 13.709 12.419 1.00 7.39 H new ATOM 0 HB3 ARG A 114 84.965 15.155 11.436 1.00 7.39 H new ATOM 0 HG2 ARG A 114 84.071 13.115 9.733 1.00 8.23 H new ATOM 0 HG3 ARG A 114 83.414 12.676 11.297 1.00 8.23 H new ATOM 0 HD2 ARG A 114 81.801 14.102 10.219 1.00 8.84 H new ATOM 0 HD3 ARG A 114 82.517 15.022 11.527 1.00 8.84 H new ATOM 0 HE ARG A 114 84.111 15.762 9.443 1.00 9.52 H new ATOM 0 HH11 ARG A 114 80.596 15.525 9.780 1.00 10.12 H new ATOM 0 HH12 ARG A 114 80.286 16.824 8.624 1.00 10.12 H new ATOM 0 HH21 ARG A 114 83.696 17.425 7.963 1.00 10.88 H new ATOM 0 HH22 ARG A 114 82.031 17.893 7.602 1.00 10.88 H new ATOM 125 N GLY A 115 87.165 11.579 11.550 1.00 6.59 N ATOM 126 CA GLY A 115 87.342 10.137 11.553 1.00 6.53 C ATOM 127 C GLY A 115 88.589 9.706 12.298 1.00 6.78 C ATOM 128 O GLY A 115 89.531 10.485 12.448 1.00 6.99 O ATOM 0 H GLY A 115 87.609 12.067 12.328 1.00 6.59 H new ATOM 0 HA2 GLY A 115 86.470 9.668 12.009 1.00 6.53 H new ATOM 0 HA3 GLY A 115 87.395 9.779 10.525 1.00 6.53 H new ATOM 132 N GLU A 116 88.595 8.463 12.769 1.00 6.92 N ATOM 133 CA GLU A 116 89.736 7.928 13.503 1.00 7.28 C ATOM 134 C GLU A 116 90.743 7.288 12.552 1.00 7.01 C ATOM 135 O GLU A 116 90.592 6.130 12.161 1.00 7.37 O ATOM 136 CB GLU A 116 89.269 6.901 14.537 1.00 7.73 C ATOM 137 CG GLU A 116 90.203 6.770 15.730 1.00 8.27 C ATOM 138 CD GLU A 116 90.645 5.340 15.973 1.00 8.72 C ATOM 139 OE1 GLU A 116 89.912 4.601 16.662 1.00 8.96 O ATOM 140 OE2 GLU A 116 91.724 4.960 15.473 1.00 9.05 O ATOM 0 H GLU A 116 87.822 7.807 12.655 1.00 6.92 H new ATOM 0 HA GLU A 116 90.225 8.755 14.018 1.00 7.28 H new ATOM 0 HB2 GLU A 116 88.277 7.180 14.892 1.00 7.73 H new ATOM 0 HB3 GLU A 116 89.172 5.929 14.053 1.00 7.73 H new ATOM 0 HG2 GLU A 116 91.081 7.395 15.569 1.00 8.27 H new ATOM 0 HG3 GLU A 116 89.702 7.148 16.621 1.00 8.27 H new ATOM 147 N GLY A 117 91.767 8.048 12.182 1.00 6.59 N ATOM 148 CA GLY A 117 92.781 7.538 11.279 1.00 6.40 C ATOM 149 C GLY A 117 92.221 7.196 9.913 1.00 5.64 C ATOM 150 O GLY A 117 91.152 7.677 9.534 1.00 5.49 O ATOM 0 H GLY A 117 91.913 9.009 12.492 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.572 8.280 11.169 1.00 6.40 H new ATOM 0 HA3 GLY A 117 93.237 6.649 11.714 1.00 6.40 H new ATOM 154 N HIS A 118 92.942 6.362 9.170 1.00 5.19 N ATOM 155 CA HIS A 118 92.509 5.957 7.838 1.00 4.46 C ATOM 156 C HIS A 118 91.149 5.270 7.892 1.00 4.06 C ATOM 157 O HIS A 118 90.804 4.632 8.887 1.00 4.20 O ATOM 158 CB HIS A 118 93.538 5.013 7.209 1.00 4.14 C ATOM 159 CG HIS A 118 94.813 5.688 6.814 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.337 6.720 7.553 1.00 4.82 N ATOM 161 CD2 HIS A 118 95.627 5.440 5.760 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.451 7.076 6.938 1.00 4.97 C ATOM 163 NE2 HIS A 118 96.669 6.328 5.846 1.00 4.60 N ATOM 0 H HIS A 118 93.828 5.954 9.468 1.00 5.19 H new ATOM 0 HA HIS A 118 92.422 6.855 7.226 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.764 4.214 7.915 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.098 4.545 6.329 1.00 4.14 H new ATOM 0 HD2 HIS A 118 95.483 4.688 4.998 1.00 4.24 H new ATOM 0 HE1 HIS A 118 97.104 7.869 7.272 1.00 4.97 H new ATOM 0 HE2 HIS A 118 97.458 6.405 5.204 1.00 4.60 H new ATOM 171 N ARG A 119 90.382 5.403 6.815 1.00 3.68 N ATOM 172 CA ARG A 119 89.062 4.790 6.738 1.00 3.29 C ATOM 173 C ARG A 119 89.095 3.546 5.857 1.00 2.55 C ATOM 174 O ARG A 119 88.551 2.501 6.217 1.00 2.42 O ATOM 175 CB ARG A 119 88.040 5.790 6.192 1.00 3.40 C ATOM 176 CG ARG A 119 88.321 6.231 4.766 1.00 3.29 C ATOM 177 CD ARG A 119 87.321 7.276 4.300 1.00 3.67 C ATOM 178 NE ARG A 119 85.947 6.777 4.343 1.00 3.86 N ATOM 179 CZ ARG A 119 84.873 7.563 4.327 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.008 8.882 4.267 1.00 4.64 N ATOM 181 NH2 ARG A 119 83.661 7.028 4.371 1.00 4.88 N ATOM 0 H ARG A 119 90.652 5.930 5.984 1.00 3.68 H new ATOM 0 HA ARG A 119 88.766 4.495 7.745 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.047 5.342 6.236 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.023 6.668 6.838 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.330 6.637 4.702 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.282 5.367 4.102 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.404 8.163 4.928 1.00 3.67 H new ATOM 0 HD3 ARG A 119 87.564 7.582 3.282 1.00 3.67 H new ATOM 0 HE ARG A 119 85.803 5.768 4.388 1.00 3.86 H new ATOM 0 HH11 ARG A 119 85.939 9.298 4.233 1.00 4.64 H new ATOM 0 HH12 ARG A 119 84.181 9.479 4.255 1.00 4.64 H new ATOM 0 HH21 ARG A 119 83.552 6.015 4.417 1.00 4.88 H new ATOM 0 HH22 ARG A 119 82.837 7.629 4.359 1.00 4.88 H new ATOM 195 N PHE A 120 89.743 3.667 4.702 1.00 2.20 N ATOM 196 CA PHE A 120 89.856 2.555 3.766 1.00 1.52 C ATOM 197 C PHE A 120 88.486 2.100 3.277 1.00 1.27 C ATOM 198 O PHE A 120 87.639 1.685 4.068 1.00 1.46 O ATOM 199 CB PHE A 120 90.577 1.376 4.417 1.00 1.60 C ATOM 200 CG PHE A 120 92.010 1.658 4.772 1.00 1.77 C ATOM 201 CD1 PHE A 120 92.986 1.700 3.791 1.00 1.32 C ATOM 202 CD2 PHE A 120 92.379 1.878 6.089 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.305 1.953 4.116 1.00 1.56 C ATOM 204 CE2 PHE A 120 93.696 2.133 6.421 1.00 2.70 C ATOM 205 CZ PHE A 120 94.660 2.172 5.433 1.00 2.25 C ATOM 0 H PHE A 120 90.198 4.526 4.392 1.00 2.20 H new ATOM 0 HA PHE A 120 90.433 2.907 2.911 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.039 1.088 5.320 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.542 0.523 3.740 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.713 1.533 2.759 1.00 1.32 H new ATOM 0 HD2 PHE A 120 91.629 1.850 6.865 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.057 1.979 3.342 1.00 1.56 H new ATOM 0 HE2 PHE A 120 93.971 2.302 7.452 1.00 2.70 H new ATOM 0 HZ PHE A 120 95.690 2.373 5.689 1.00 2.25 H new ATOM 215 N VAL A 121 88.281 2.165 1.967 1.00 1.28 N ATOM 216 CA VAL A 121 87.020 1.744 1.372 1.00 1.47 C ATOM 217 C VAL A 121 87.232 0.527 0.477 1.00 1.73 C ATOM 218 O VAL A 121 87.773 0.639 -0.623 1.00 2.05 O ATOM 219 CB VAL A 121 86.372 2.874 0.548 1.00 2.05 C ATOM 220 CG1 VAL A 121 85.967 4.030 1.450 1.00 2.26 C ATOM 221 CG2 VAL A 121 87.315 3.345 -0.548 1.00 2.59 C ATOM 0 H VAL A 121 88.971 2.505 1.298 1.00 1.28 H new ATOM 0 HA VAL A 121 86.349 1.486 2.191 1.00 1.47 H new ATOM 0 HB VAL A 121 85.471 2.483 0.075 1.00 2.05 H new ATOM 0 HG11 VAL A 121 85.512 4.818 0.850 1.00 2.26 H new ATOM 0 HG12 VAL A 121 85.250 3.679 2.192 1.00 2.26 H new ATOM 0 HG13 VAL A 121 86.849 4.423 1.956 1.00 2.26 H new ATOM 0 HG21 VAL A 121 86.840 4.143 -1.119 1.00 2.59 H new ATOM 0 HG22 VAL A 121 88.236 3.718 -0.100 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.546 2.512 -1.212 1.00 2.59 H new ATOM 231 N GLU A 122 86.810 -0.638 0.961 1.00 1.96 N ATOM 232 CA GLU A 122 86.961 -1.878 0.209 1.00 2.61 C ATOM 233 C GLU A 122 86.147 -1.838 -1.079 1.00 3.15 C ATOM 234 O GLU A 122 84.940 -1.596 -1.055 1.00 3.31 O ATOM 235 CB GLU A 122 86.530 -3.072 1.062 1.00 3.09 C ATOM 236 CG GLU A 122 85.105 -2.964 1.580 1.00 3.41 C ATOM 237 CD GLU A 122 85.040 -2.794 3.084 1.00 3.75 C ATOM 238 OE1 GLU A 122 85.726 -3.555 3.799 1.00 4.00 O ATOM 239 OE2 GLU A 122 84.304 -1.899 3.549 1.00 4.17 O ATOM 0 H GLU A 122 86.361 -0.748 1.870 1.00 1.96 H new ATOM 0 HA GLU A 122 88.013 -1.988 -0.053 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.626 -3.983 0.472 1.00 3.09 H new ATOM 0 HB3 GLU A 122 87.210 -3.168 1.909 1.00 3.09 H new ATOM 0 HG2 GLU A 122 84.612 -2.118 1.101 1.00 3.41 H new ATOM 0 HG3 GLU A 122 84.551 -3.858 1.295 1.00 3.41 H new ATOM 246 N LEU A 123 86.815 -2.077 -2.202 1.00 3.56 N ATOM 247 CA LEU A 123 86.152 -2.069 -3.501 1.00 4.25 C ATOM 248 C LEU A 123 85.997 -3.487 -4.043 1.00 4.92 C ATOM 249 O LEU A 123 86.901 -4.313 -3.919 1.00 5.12 O ATOM 250 CB LEU A 123 86.937 -1.208 -4.495 1.00 4.48 C ATOM 251 CG LEU A 123 88.184 -1.869 -5.093 1.00 4.92 C ATOM 252 CD1 LEU A 123 87.940 -2.263 -6.541 1.00 5.51 C ATOM 253 CD2 LEU A 123 89.386 -0.943 -4.985 1.00 5.24 C ATOM 0 H LEU A 123 87.814 -2.279 -2.239 1.00 3.56 H new ATOM 0 HA LEU A 123 85.158 -1.641 -3.371 1.00 4.25 H new ATOM 0 HB2 LEU A 123 86.271 -0.924 -5.310 1.00 4.48 H new ATOM 0 HB3 LEU A 123 87.239 -0.288 -3.994 1.00 4.48 H new ATOM 0 HG LEU A 123 88.397 -2.774 -4.524 1.00 4.92 H new ATOM 0 HD11 LEU A 123 88.837 -2.730 -6.947 1.00 5.51 H new ATOM 0 HD12 LEU A 123 87.109 -2.967 -6.591 1.00 5.51 H new ATOM 0 HD13 LEU A 123 87.698 -1.374 -7.124 1.00 5.51 H new ATOM 0 HD21 LEU A 123 90.261 -1.431 -5.415 1.00 5.24 H new ATOM 0 HD22 LEU A 123 89.183 -0.019 -5.526 1.00 5.24 H new ATOM 0 HD23 LEU A 123 89.577 -0.715 -3.936 1.00 5.24 H new ATOM 265 N ALA A 124 84.843 -3.762 -4.641 1.00 5.38 N ATOM 266 CA ALA A 124 84.570 -5.080 -5.202 1.00 6.08 C ATOM 267 C ALA A 124 85.004 -5.156 -6.662 1.00 6.69 C ATOM 268 O ALA A 124 84.658 -4.294 -7.469 1.00 7.13 O ATOM 269 CB ALA A 124 83.091 -5.412 -5.071 1.00 6.38 C ATOM 0 H ALA A 124 84.083 -3.091 -4.750 1.00 5.38 H new ATOM 0 HA ALA A 124 85.148 -5.814 -4.640 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.901 -6.399 -5.494 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.809 -5.408 -4.018 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.502 -4.668 -5.607 1.00 6.38 H new ATOM 275 N LEU A 125 85.767 -6.192 -6.993 1.00 6.81 N ATOM 276 CA LEU A 125 86.250 -6.379 -8.357 1.00 7.42 C ATOM 277 C LEU A 125 85.085 -6.583 -9.322 1.00 8.16 C ATOM 278 O LEU A 125 84.700 -5.661 -10.041 1.00 8.46 O ATOM 279 CB LEU A 125 87.203 -7.575 -8.423 1.00 7.36 C ATOM 280 CG LEU A 125 88.681 -7.236 -8.221 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.985 -7.018 -6.748 1.00 6.96 C ATOM 282 CD2 LEU A 125 89.561 -8.338 -8.792 1.00 7.07 C ATOM 0 H LEU A 125 86.064 -6.914 -6.337 1.00 6.81 H new ATOM 0 HA LEU A 125 86.789 -5.479 -8.654 1.00 7.42 H new ATOM 0 HB2 LEU A 125 86.905 -8.300 -7.665 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.086 -8.060 -9.392 1.00 7.36 H new ATOM 0 HG LEU A 125 88.898 -6.310 -8.754 1.00 6.97 H new ATOM 0 HD11 LEU A 125 90.041 -6.778 -6.626 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.380 -6.194 -6.370 1.00 6.96 H new ATOM 0 HD13 LEU A 125 88.752 -7.925 -6.190 1.00 6.96 H new ATOM 0 HD21 LEU A 125 90.610 -8.082 -8.640 1.00 7.07 H new ATOM 0 HD22 LEU A 125 89.341 -9.278 -8.287 1.00 7.07 H new ATOM 0 HD23 LEU A 125 89.364 -8.445 -9.859 1.00 7.07 H new ATOM 294 N ARG A 126 84.534 -7.798 -9.331 1.00 8.60 N ATOM 295 CA ARG A 126 83.409 -8.150 -10.203 1.00 9.37 C ATOM 296 C ARG A 126 83.523 -7.486 -11.577 1.00 9.91 C ATOM 297 O ARG A 126 82.622 -6.766 -12.010 1.00 10.39 O ATOM 298 CB ARG A 126 82.078 -7.772 -9.538 1.00 9.55 C ATOM 299 CG ARG A 126 81.828 -6.273 -9.452 1.00 9.90 C ATOM 300 CD ARG A 126 80.448 -5.906 -9.979 1.00 10.24 C ATOM 301 NE ARG A 126 79.811 -4.868 -9.171 1.00 10.60 N ATOM 302 CZ ARG A 126 79.161 -5.106 -8.034 1.00 11.07 C ATOM 303 NH1 ARG A 126 79.065 -6.342 -7.563 1.00 11.25 N ATOM 304 NH2 ARG A 126 78.607 -4.103 -7.367 1.00 11.57 N ATOM 0 H ARG A 126 84.852 -8.564 -8.737 1.00 8.60 H new ATOM 0 HA ARG A 126 83.439 -9.229 -10.355 1.00 9.37 H new ATOM 0 HB2 ARG A 126 81.262 -8.234 -10.095 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.055 -8.191 -8.532 1.00 9.55 H new ATOM 0 HG2 ARG A 126 81.922 -5.946 -8.416 1.00 9.90 H new ATOM 0 HG3 ARG A 126 82.590 -5.743 -10.024 1.00 9.90 H new ATOM 0 HD2 ARG A 126 80.533 -5.562 -11.010 1.00 10.24 H new ATOM 0 HD3 ARG A 126 79.817 -6.794 -9.991 1.00 10.24 H new ATOM 0 HE ARG A 126 79.868 -3.903 -9.498 1.00 10.60 H new ATOM 0 HH11 ARG A 126 79.491 -7.116 -8.073 1.00 11.25 H new ATOM 0 HH12 ARG A 126 78.566 -6.518 -6.691 1.00 11.25 H new ATOM 0 HH21 ARG A 126 78.679 -3.151 -7.725 1.00 11.57 H new ATOM 0 HH22 ARG A 126 78.109 -4.284 -6.496 1.00 11.57 H new ATOM 318 N GLY A 127 84.634 -7.740 -12.261 1.00 9.94 N ATOM 319 CA GLY A 127 84.843 -7.164 -13.575 1.00 10.50 C ATOM 320 C GLY A 127 85.769 -5.964 -13.543 1.00 10.13 C ATOM 321 O GLY A 127 86.391 -5.622 -14.549 1.00 10.47 O ATOM 0 H GLY A 127 85.393 -8.335 -11.928 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.259 -7.922 -14.238 1.00 10.50 H new ATOM 0 HA3 GLY A 127 83.882 -6.866 -13.994 1.00 10.50 H new ATOM 325 N GLY A 128 85.864 -5.323 -12.381 1.00 9.48 N ATOM 326 CA GLY A 128 86.724 -4.163 -12.240 1.00 9.18 C ATOM 327 C GLY A 128 87.900 -4.425 -11.319 1.00 8.58 C ATOM 328 O GLY A 128 87.825 -4.149 -10.122 1.00 8.03 O ATOM 0 H GLY A 128 85.360 -5.587 -11.535 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.094 -3.866 -13.222 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.142 -3.327 -11.853 1.00 9.18 H new ATOM 332 N PRO A 129 89.012 -4.961 -11.853 1.00 8.71 N ATOM 333 CA PRO A 129 90.208 -5.257 -11.056 1.00 8.20 C ATOM 334 C PRO A 129 90.658 -4.069 -10.217 1.00 7.43 C ATOM 335 O PRO A 129 90.033 -3.010 -10.229 1.00 7.36 O ATOM 336 CB PRO A 129 91.265 -5.585 -12.113 1.00 8.64 C ATOM 337 CG PRO A 129 90.490 -6.076 -13.287 1.00 9.37 C ATOM 338 CD PRO A 129 89.189 -5.322 -13.273 1.00 9.42 C ATOM 0 HA PRO A 129 90.029 -6.060 -10.342 1.00 8.20 H new ATOM 0 HB2 PRO A 129 91.855 -4.705 -12.369 1.00 8.64 H new ATOM 0 HB3 PRO A 129 91.962 -6.343 -11.754 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.034 -5.898 -14.215 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.319 -7.150 -13.219 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.231 -4.438 -13.909 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.365 -5.937 -13.636 1.00 9.42 H new ATOM 346 N GLY A 130 91.757 -4.257 -9.497 1.00 6.90 N ATOM 347 CA GLY A 130 92.299 -3.204 -8.669 1.00 6.16 C ATOM 348 C GLY A 130 93.806 -3.212 -8.714 1.00 5.90 C ATOM 349 O GLY A 130 94.419 -4.273 -8.778 1.00 6.04 O ATOM 0 H GLY A 130 92.285 -5.130 -9.474 1.00 6.90 H new ATOM 0 HA2 GLY A 130 91.925 -2.238 -9.009 1.00 6.16 H new ATOM 0 HA3 GLY A 130 91.960 -3.332 -7.641 1.00 6.16 H new ATOM 353 N TRP A 131 94.413 -2.038 -8.710 1.00 5.60 N ATOM 354 CA TRP A 131 95.861 -1.947 -8.777 1.00 5.39 C ATOM 355 C TRP A 131 96.439 -1.350 -7.500 1.00 4.56 C ATOM 356 O TRP A 131 96.182 -0.193 -7.170 1.00 4.36 O ATOM 357 CB TRP A 131 96.267 -1.116 -9.990 1.00 5.91 C ATOM 358 CG TRP A 131 96.158 -1.868 -11.282 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.102 -2.626 -11.700 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.140 -1.938 -12.321 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.367 -3.163 -12.937 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.613 -2.755 -13.340 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.413 -1.387 -12.491 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.315 -3.034 -14.509 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.110 -1.665 -13.652 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.560 -2.482 -14.648 1.00 8.26 C ATOM 0 H TRP A 131 93.930 -1.141 -8.661 1.00 5.60 H new ATOM 0 HA TRP A 131 96.266 -2.954 -8.880 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.639 -0.227 -10.040 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.294 -0.774 -9.861 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.191 -2.781 -11.140 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.740 -3.766 -13.469 1.00 7.84 H new ATOM 0 HE3 TRP A 131 98.845 -0.755 -11.729 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 96.893 -3.663 -15.279 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.095 -1.245 -13.793 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.130 -2.680 -15.544 1.00 8.26 H new ATOM 377 N CYS A 132 97.219 -2.155 -6.785 1.00 4.17 N ATOM 378 CA CYS A 132 97.841 -1.724 -5.540 1.00 3.38 C ATOM 379 C CYS A 132 98.674 -0.464 -5.750 1.00 3.29 C ATOM 380 O CYS A 132 99.876 -0.536 -6.010 1.00 3.32 O ATOM 381 CB CYS A 132 98.717 -2.844 -4.982 1.00 3.20 C ATOM 382 SG CYS A 132 99.344 -2.533 -3.302 1.00 2.31 S ATOM 0 H CYS A 132 97.436 -3.116 -7.050 1.00 4.17 H new ATOM 0 HA CYS A 132 97.051 -1.493 -4.825 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.144 -3.771 -4.978 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.564 -2.996 -5.652 1.00 3.20 H new ATOM 387 N ASP A 133 98.025 0.692 -5.632 1.00 3.33 N ATOM 388 CA ASP A 133 98.696 1.977 -5.808 1.00 3.56 C ATOM 389 C ASP A 133 100.009 2.021 -5.029 1.00 3.14 C ATOM 390 O ASP A 133 100.960 2.694 -5.429 1.00 3.53 O ATOM 391 CB ASP A 133 97.783 3.115 -5.352 1.00 3.65 C ATOM 392 CG ASP A 133 96.563 3.270 -6.241 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.737 3.560 -7.442 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.435 3.101 -5.732 1.00 3.89 O ATOM 0 H ASP A 133 97.031 0.765 -5.414 1.00 3.33 H new ATOM 0 HA ASP A 133 98.921 2.099 -6.868 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.461 2.930 -4.327 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.346 4.048 -5.346 1.00 3.65 H new ATOM 399 N LEU A 134 100.050 1.294 -3.920 1.00 2.45 N ATOM 400 CA LEU A 134 101.238 1.238 -3.080 1.00 2.10 C ATOM 401 C LEU A 134 102.379 0.536 -3.815 1.00 2.27 C ATOM 402 O LEU A 134 103.480 1.075 -3.931 1.00 2.50 O ATOM 403 CB LEU A 134 100.903 0.516 -1.765 1.00 1.47 C ATOM 404 CG LEU A 134 102.054 -0.241 -1.090 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.696 0.615 -0.010 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.549 -1.550 -0.505 1.00 1.35 C ATOM 0 H LEU A 134 99.269 0.732 -3.580 1.00 2.45 H new ATOM 0 HA LEU A 134 101.565 2.252 -2.850 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.518 1.252 -1.059 1.00 1.47 H new ATOM 0 HB3 LEU A 134 100.097 -0.191 -1.959 1.00 1.47 H new ATOM 0 HG LEU A 134 102.811 -0.465 -1.841 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.510 0.061 0.457 1.00 1.61 H new ATOM 0 HD12 LEU A 134 103.088 1.529 -0.456 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.951 0.869 0.744 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.375 -2.078 -0.029 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.776 -1.344 0.235 1.00 1.35 H new ATOM 0 HD23 LEU A 134 101.134 -2.168 -1.301 1.00 1.35 H new ATOM 418 N CYS A 135 102.107 -0.668 -4.305 1.00 2.35 N ATOM 419 CA CYS A 135 103.107 -1.448 -5.025 1.00 2.66 C ATOM 420 C CYS A 135 103.037 -1.172 -6.524 1.00 3.37 C ATOM 421 O CYS A 135 103.957 -0.590 -7.101 1.00 3.63 O ATOM 422 CB CYS A 135 102.907 -2.944 -4.762 1.00 2.75 C ATOM 423 SG CYS A 135 102.575 -3.360 -3.020 1.00 2.27 S ATOM 0 H CYS A 135 101.200 -1.126 -4.217 1.00 2.35 H new ATOM 0 HA CYS A 135 104.091 -1.150 -4.663 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.078 -3.301 -5.373 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.798 -3.481 -5.088 1.00 2.75 H new ATOM 428 N GLY A 136 101.943 -1.591 -7.150 1.00 3.77 N ATOM 429 CA GLY A 136 101.776 -1.379 -8.575 1.00 4.51 C ATOM 430 C GLY A 136 101.196 -2.588 -9.288 1.00 5.01 C ATOM 431 O GLY A 136 100.794 -2.495 -10.447 1.00 5.65 O ATOM 0 H GLY A 136 101.168 -2.074 -6.695 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.123 -0.521 -8.736 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.742 -1.132 -9.016 1.00 4.51 H new ATOM 435 N ARG A 137 101.155 -3.725 -8.599 1.00 4.84 N ATOM 436 CA ARG A 137 100.621 -4.950 -9.182 1.00 5.43 C ATOM 437 C ARG A 137 99.099 -4.979 -9.088 1.00 5.63 C ATOM 438 O ARG A 137 98.474 -4.010 -8.658 1.00 5.30 O ATOM 439 CB ARG A 137 101.210 -6.173 -8.478 1.00 5.35 C ATOM 440 CG ARG A 137 102.730 -6.215 -8.501 1.00 5.18 C ATOM 441 CD ARG A 137 103.267 -6.293 -9.922 1.00 5.55 C ATOM 442 NE ARG A 137 104.239 -5.239 -10.199 1.00 5.46 N ATOM 443 CZ ARG A 137 105.034 -5.224 -11.267 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.975 -6.204 -12.159 1.00 6.61 N ATOM 445 NH2 ARG A 137 105.888 -4.225 -11.444 1.00 6.15 N ATOM 0 H ARG A 137 101.485 -3.823 -7.639 1.00 4.84 H new ATOM 0 HA ARG A 137 100.902 -4.974 -10.235 1.00 5.43 H new ATOM 0 HB2 ARG A 137 100.870 -6.184 -7.442 1.00 5.35 H new ATOM 0 HB3 ARG A 137 100.823 -7.076 -8.951 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.126 -5.326 -8.010 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.079 -7.076 -7.932 1.00 5.18 H new ATOM 0 HD2 ARG A 137 103.732 -7.266 -10.081 1.00 5.55 H new ATOM 0 HD3 ARG A 137 102.439 -6.217 -10.627 1.00 5.55 H new ATOM 0 HE ARG A 137 104.313 -4.468 -9.535 1.00 5.46 H new ATOM 0 HH11 ARG A 137 104.318 -6.974 -12.028 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.586 -6.188 -12.975 1.00 6.61 H new ATOM 0 HH21 ARG A 137 105.936 -3.468 -10.762 1.00 6.15 H new ATOM 0 HH22 ARG A 137 106.497 -4.214 -12.262 1.00 6.15 H new ATOM 459 N GLU A 138 98.507 -6.097 -9.497 1.00 6.20 N ATOM 460 CA GLU A 138 97.057 -6.253 -9.460 1.00 6.47 C ATOM 461 C GLU A 138 96.597 -6.766 -8.101 1.00 6.14 C ATOM 462 O GLU A 138 97.226 -7.648 -7.513 1.00 6.19 O ATOM 463 CB GLU A 138 96.597 -7.210 -10.561 1.00 7.34 C ATOM 464 CG GLU A 138 97.359 -8.525 -10.579 1.00 8.03 C ATOM 465 CD GLU A 138 98.238 -8.675 -11.805 1.00 8.64 C ATOM 466 OE1 GLU A 138 98.677 -7.640 -12.351 1.00 8.93 O ATOM 467 OE2 GLU A 138 98.488 -9.827 -12.221 1.00 9.02 O ATOM 0 H GLU A 138 99.009 -6.908 -9.858 1.00 6.20 H new ATOM 0 HA GLU A 138 96.609 -5.274 -9.628 1.00 6.47 H new ATOM 0 HB2 GLU A 138 95.535 -7.417 -10.431 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.711 -6.720 -11.528 1.00 7.34 H new ATOM 0 HG2 GLU A 138 97.977 -8.595 -9.684 1.00 8.03 H new ATOM 0 HG3 GLU A 138 96.650 -9.352 -10.542 1.00 8.03 H new ATOM 474 N VAL A 139 95.498 -6.209 -7.605 1.00 5.87 N ATOM 475 CA VAL A 139 94.952 -6.609 -6.313 1.00 5.60 C ATOM 476 C VAL A 139 93.745 -7.530 -6.483 1.00 6.26 C ATOM 477 O VAL A 139 92.745 -7.155 -7.094 1.00 6.56 O ATOM 478 CB VAL A 139 94.553 -5.379 -5.468 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.717 -4.406 -5.360 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.326 -4.691 -6.052 1.00 5.14 C ATOM 0 H VAL A 139 94.967 -5.478 -8.079 1.00 5.87 H new ATOM 0 HA VAL A 139 95.737 -7.154 -5.789 1.00 5.60 H new ATOM 0 HB VAL A 139 94.299 -5.723 -4.466 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.418 -3.546 -4.761 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.563 -4.902 -4.885 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.006 -4.072 -6.357 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.066 -3.828 -5.438 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.543 -4.361 -7.068 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.490 -5.390 -6.068 1.00 5.14 H new ATOM 490 N LEU A 140 93.849 -8.738 -5.938 1.00 6.55 N ATOM 491 CA LEU A 140 92.768 -9.713 -6.029 1.00 7.22 C ATOM 492 C LEU A 140 91.720 -9.468 -4.948 1.00 6.99 C ATOM 493 O LEU A 140 90.561 -9.185 -5.248 1.00 7.24 O ATOM 494 CB LEU A 140 93.323 -11.133 -5.903 1.00 7.76 C ATOM 495 CG LEU A 140 94.017 -11.674 -7.154 1.00 8.26 C ATOM 496 CD1 LEU A 140 95.513 -11.404 -7.092 1.00 8.62 C ATOM 497 CD2 LEU A 140 93.749 -13.163 -7.311 1.00 8.78 C ATOM 0 H LEU A 140 94.670 -9.065 -5.429 1.00 6.55 H new ATOM 0 HA LEU A 140 92.292 -9.600 -7.003 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.031 -11.157 -5.075 1.00 7.76 H new ATOM 0 HB3 LEU A 140 92.505 -11.804 -5.642 1.00 7.76 H new ATOM 0 HG LEU A 140 93.610 -11.158 -8.024 1.00 8.26 H new ATOM 0 HD11 LEU A 140 95.991 -11.796 -7.990 1.00 8.62 H new ATOM 0 HD12 LEU A 140 95.686 -10.330 -7.028 1.00 8.62 H new ATOM 0 HD13 LEU A 140 95.935 -11.893 -6.214 1.00 8.62 H new ATOM 0 HD21 LEU A 140 94.251 -13.531 -8.206 1.00 8.78 H new ATOM 0 HD22 LEU A 140 94.128 -13.695 -6.438 1.00 8.78 H new ATOM 0 HD23 LEU A 140 92.676 -13.332 -7.401 1.00 8.78 H new ATOM 509 N ARG A 141 92.137 -9.582 -3.691 1.00 6.56 N ATOM 510 CA ARG A 141 91.234 -9.376 -2.564 1.00 6.36 C ATOM 511 C ARG A 141 90.644 -7.968 -2.589 1.00 5.74 C ATOM 512 O ARG A 141 91.033 -7.134 -3.406 1.00 5.48 O ATOM 513 CB ARG A 141 91.970 -9.610 -1.244 1.00 6.20 C ATOM 514 CG ARG A 141 91.833 -11.030 -0.714 1.00 6.87 C ATOM 515 CD ARG A 141 92.712 -12.001 -1.483 1.00 7.11 C ATOM 516 NE ARG A 141 93.416 -12.924 -0.596 1.00 7.57 N ATOM 517 CZ ARG A 141 93.958 -14.072 -0.999 1.00 8.00 C ATOM 518 NH1 ARG A 141 93.880 -14.441 -2.270 1.00 8.08 N ATOM 519 NH2 ARG A 141 94.581 -14.853 -0.125 1.00 8.60 N ATOM 0 H ARG A 141 93.094 -9.816 -3.427 1.00 6.56 H new ATOM 0 HA ARG A 141 90.418 -10.094 -2.649 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.027 -9.383 -1.382 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.589 -8.914 -0.497 1.00 6.20 H new ATOM 0 HG2 ARG A 141 92.102 -11.052 0.342 1.00 6.87 H new ATOM 0 HG3 ARG A 141 90.792 -11.346 -0.784 1.00 6.87 H new ATOM 0 HD2 ARG A 141 92.099 -12.568 -2.183 1.00 7.11 H new ATOM 0 HD3 ARG A 141 93.438 -11.443 -2.074 1.00 7.11 H new ATOM 0 HE ARG A 141 93.497 -12.675 0.390 1.00 7.57 H new ATOM 0 HH11 ARG A 141 93.403 -13.844 -2.946 1.00 8.08 H new ATOM 0 HH12 ARG A 141 94.297 -15.321 -2.572 1.00 8.08 H new ATOM 0 HH21 ARG A 141 94.644 -14.574 0.854 1.00 8.60 H new ATOM 0 HH22 ARG A 141 94.996 -15.732 -0.432 1.00 8.60 H new ATOM 533 N GLN A 142 89.707 -7.711 -1.683 1.00 5.55 N ATOM 534 CA GLN A 142 89.063 -6.405 -1.599 1.00 4.97 C ATOM 535 C GLN A 142 90.071 -5.334 -1.195 1.00 4.20 C ATOM 536 O GLN A 142 90.311 -5.106 -0.010 1.00 3.88 O ATOM 537 CB GLN A 142 87.910 -6.445 -0.593 1.00 4.98 C ATOM 538 CG GLN A 142 86.550 -6.663 -1.239 1.00 5.49 C ATOM 539 CD GLN A 142 85.834 -7.885 -0.696 1.00 6.00 C ATOM 540 OE1 GLN A 142 84.972 -7.778 0.176 1.00 6.30 O ATOM 541 NE2 GLN A 142 86.191 -9.057 -1.209 1.00 6.42 N ATOM 0 H GLN A 142 89.376 -8.389 -0.997 1.00 5.55 H new ATOM 0 HA GLN A 142 88.666 -6.155 -2.583 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.094 -7.242 0.127 1.00 4.98 H new ATOM 0 HB3 GLN A 142 87.893 -5.509 -0.035 1.00 4.98 H new ATOM 0 HG2 GLN A 142 85.930 -5.781 -1.077 1.00 5.49 H new ATOM 0 HG3 GLN A 142 86.677 -6.770 -2.316 1.00 5.49 H new ATOM 0 HE21 GLN A 142 86.911 -9.100 -1.931 1.00 6.42 H new ATOM 0 HE22 GLN A 142 85.746 -9.914 -0.881 1.00 6.42 H new ATOM 550 N ALA A 143 90.657 -4.680 -2.192 1.00 4.01 N ATOM 551 CA ALA A 143 91.640 -3.633 -1.945 1.00 3.31 C ATOM 552 C ALA A 143 91.061 -2.527 -1.072 1.00 2.66 C ATOM 553 O ALA A 143 89.893 -2.162 -1.206 1.00 2.78 O ATOM 554 CB ALA A 143 92.137 -3.060 -3.263 1.00 3.47 C ATOM 0 H ALA A 143 90.468 -4.857 -3.179 1.00 4.01 H new ATOM 0 HA ALA A 143 92.480 -4.077 -1.410 1.00 3.31 H new ATOM 0 HB1 ALA A 143 92.871 -2.279 -3.066 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.599 -3.852 -3.853 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.298 -2.638 -3.816 1.00 3.47 H new ATOM 560 N LEU A 144 91.889 -2.000 -0.177 1.00 2.03 N ATOM 561 CA LEU A 144 91.468 -0.933 0.725 1.00 1.43 C ATOM 562 C LEU A 144 91.927 0.423 0.201 1.00 1.04 C ATOM 563 O LEU A 144 93.121 0.721 0.190 1.00 0.81 O ATOM 564 CB LEU A 144 92.038 -1.174 2.124 1.00 1.45 C ATOM 565 CG LEU A 144 91.409 -2.339 2.888 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.389 -2.897 3.908 1.00 2.76 C ATOM 567 CD2 LEU A 144 90.122 -1.897 3.569 1.00 2.25 C ATOM 0 H LEU A 144 92.858 -2.295 -0.056 1.00 2.03 H new ATOM 0 HA LEU A 144 90.379 -0.934 0.779 1.00 1.43 H new ATOM 0 HB2 LEU A 144 93.110 -1.353 2.037 1.00 1.45 H new ATOM 0 HB3 LEU A 144 91.913 -0.265 2.712 1.00 1.45 H new ATOM 0 HG LEU A 144 91.167 -3.128 2.176 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.925 -3.726 4.443 1.00 2.76 H new ATOM 0 HD12 LEU A 144 93.284 -3.251 3.397 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.661 -2.115 4.617 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.688 -2.739 4.108 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.339 -1.091 4.270 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.415 -1.544 2.818 1.00 2.25 H new ATOM 579 N ARG A 145 90.975 1.241 -0.241 1.00 1.33 N ATOM 580 CA ARG A 145 91.299 2.561 -0.773 1.00 1.75 C ATOM 581 C ARG A 145 90.983 3.656 0.230 1.00 1.84 C ATOM 582 O ARG A 145 89.837 4.082 0.365 1.00 2.07 O ATOM 583 CB ARG A 145 90.537 2.812 -2.075 1.00 2.50 C ATOM 584 CG ARG A 145 90.844 4.156 -2.712 1.00 3.14 C ATOM 585 CD ARG A 145 89.917 4.441 -3.883 1.00 3.82 C ATOM 586 NE ARG A 145 90.047 3.437 -4.937 1.00 4.39 N ATOM 587 CZ ARG A 145 89.650 3.626 -6.194 1.00 4.96 C ATOM 588 NH1 ARG A 145 89.092 4.774 -6.558 1.00 5.14 N ATOM 589 NH2 ARG A 145 89.814 2.663 -7.091 1.00 5.67 N ATOM 0 H ARG A 145 89.980 1.015 -0.241 1.00 1.33 H new ATOM 0 HA ARG A 145 92.370 2.583 -0.974 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.777 2.020 -2.785 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.467 2.749 -1.877 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.744 4.945 -1.966 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.879 4.170 -3.054 1.00 3.14 H new ATOM 0 HD2 ARG A 145 88.886 4.467 -3.532 1.00 3.82 H new ATOM 0 HD3 ARG A 145 90.140 5.427 -4.291 1.00 3.82 H new ATOM 0 HE ARG A 145 90.466 2.539 -4.696 1.00 4.39 H new ATOM 0 HH11 ARG A 145 88.965 5.519 -5.873 1.00 5.14 H new ATOM 0 HH12 ARG A 145 88.791 4.911 -7.523 1.00 5.14 H new ATOM 0 HH21 ARG A 145 90.244 1.779 -6.818 1.00 5.67 H new ATOM 0 HH22 ARG A 145 89.510 2.806 -8.054 1.00 5.67 H new ATOM 603 N CYS A 146 92.011 4.106 0.938 1.00 1.92 N ATOM 604 CA CYS A 146 91.841 5.149 1.933 1.00 2.46 C ATOM 605 C CYS A 146 91.920 6.518 1.267 1.00 3.20 C ATOM 606 O CYS A 146 92.947 7.194 1.329 1.00 3.63 O ATOM 607 CB CYS A 146 92.906 5.005 3.025 1.00 2.60 C ATOM 608 SG CYS A 146 93.088 6.455 4.117 1.00 3.57 S ATOM 0 H CYS A 146 92.967 3.764 0.840 1.00 1.92 H new ATOM 0 HA CYS A 146 90.860 5.052 2.398 1.00 2.46 H new ATOM 0 HB2 CYS A 146 92.663 4.136 3.637 1.00 2.60 H new ATOM 0 HB3 CYS A 146 93.866 4.803 2.551 1.00 2.60 H new ATOM 613 N ALA A 147 90.830 6.915 0.622 1.00 3.42 N ATOM 614 CA ALA A 147 90.771 8.201 -0.068 1.00 4.19 C ATOM 615 C ALA A 147 91.026 9.369 0.883 1.00 4.75 C ATOM 616 O ALA A 147 91.122 10.517 0.450 1.00 5.41 O ATOM 617 CB ALA A 147 89.422 8.367 -0.752 1.00 4.35 C ATOM 0 H ALA A 147 89.973 6.365 0.561 1.00 3.42 H new ATOM 0 HA ALA A 147 91.561 8.209 -0.819 1.00 4.19 H new ATOM 0 HB1 ALA A 147 89.389 9.329 -1.263 1.00 4.35 H new ATOM 0 HB2 ALA A 147 89.281 7.566 -1.477 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.628 8.325 -0.006 1.00 4.35 H new ATOM 623 N ASN A 148 91.133 9.079 2.179 1.00 4.58 N ATOM 624 CA ASN A 148 91.372 10.114 3.171 1.00 5.23 C ATOM 625 C ASN A 148 92.774 10.706 3.043 1.00 5.62 C ATOM 626 O ASN A 148 93.018 11.820 3.505 1.00 6.29 O ATOM 627 CB ASN A 148 91.165 9.558 4.582 1.00 5.11 C ATOM 628 CG ASN A 148 89.706 9.561 4.996 1.00 5.34 C ATOM 629 OD1 ASN A 148 88.849 10.092 4.291 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.418 8.963 6.147 1.00 5.41 N ATOM 0 H ASN A 148 91.057 8.136 2.561 1.00 4.58 H new ATOM 0 HA ASN A 148 90.653 10.913 2.990 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.551 8.540 4.629 1.00 5.11 H new ATOM 0 HB3 ASN A 148 91.742 10.151 5.292 1.00 5.11 H new ATOM 0 HD21 ASN A 148 88.454 8.931 6.478 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.161 8.535 6.700 1.00 5.41 H new ATOM 637 N CYS A 149 93.698 9.973 2.423 1.00 5.21 N ATOM 638 CA CYS A 149 95.058 10.478 2.267 1.00 5.54 C ATOM 639 C CYS A 149 95.886 9.616 1.318 1.00 5.02 C ATOM 640 O CYS A 149 96.573 10.138 0.439 1.00 5.26 O ATOM 641 CB CYS A 149 95.749 10.558 3.629 1.00 5.86 C ATOM 642 SG CYS A 149 95.507 9.085 4.673 1.00 5.35 S ATOM 0 H CYS A 149 93.534 9.047 2.029 1.00 5.21 H new ATOM 0 HA CYS A 149 94.986 11.474 1.831 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.817 10.709 3.474 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.377 11.433 4.162 1.00 5.86 H new ATOM 647 N LYS A 150 95.833 8.304 1.504 1.00 4.33 N ATOM 648 CA LYS A 150 96.601 7.395 0.661 1.00 3.79 C ATOM 649 C LYS A 150 95.774 6.914 -0.541 1.00 3.60 C ATOM 650 O LYS A 150 95.115 7.718 -1.198 1.00 4.14 O ATOM 651 CB LYS A 150 97.131 6.221 1.491 1.00 3.18 C ATOM 652 CG LYS A 150 96.047 5.294 2.005 1.00 3.63 C ATOM 653 CD LYS A 150 96.490 3.840 1.959 1.00 3.46 C ATOM 654 CE LYS A 150 97.302 3.465 3.189 1.00 3.65 C ATOM 655 NZ LYS A 150 98.761 3.407 2.899 1.00 3.87 N ATOM 0 H LYS A 150 95.272 7.848 2.224 1.00 4.33 H new ATOM 0 HA LYS A 150 97.457 7.938 0.260 1.00 3.79 H new ATOM 0 HB2 LYS A 150 97.830 5.646 0.884 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.693 6.613 2.339 1.00 3.18 H new ATOM 0 HG2 LYS A 150 95.790 5.565 3.029 1.00 3.63 H new ATOM 0 HG3 LYS A 150 95.145 5.420 1.406 1.00 3.63 H new ATOM 0 HD2 LYS A 150 95.615 3.194 1.889 1.00 3.46 H new ATOM 0 HD3 LYS A 150 97.086 3.668 1.062 1.00 3.46 H new ATOM 0 HE2 LYS A 150 97.118 4.192 3.980 1.00 3.65 H new ATOM 0 HE3 LYS A 150 96.968 2.497 3.562 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 99.166 2.549 3.326 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 98.910 3.385 1.870 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.228 4.246 3.299 1.00 3.87 H new ATOM 669 N PHE A 151 95.826 5.615 -0.847 1.00 2.95 N ATOM 670 CA PHE A 151 95.096 5.073 -1.991 1.00 2.98 C ATOM 671 C PHE A 151 94.682 3.613 -1.759 1.00 2.28 C ATOM 672 O PHE A 151 94.675 3.135 -0.623 1.00 1.66 O ATOM 673 CB PHE A 151 95.968 5.193 -3.246 1.00 3.44 C ATOM 674 CG PHE A 151 97.435 4.977 -2.989 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.863 3.965 -2.142 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.384 5.785 -3.594 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.209 3.764 -1.905 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.733 5.587 -3.359 1.00 3.41 C ATOM 679 CZ PHE A 151 100.145 4.576 -2.513 1.00 3.10 C ATOM 0 H PHE A 151 96.363 4.925 -0.321 1.00 2.95 H new ATOM 0 HA PHE A 151 94.180 5.649 -2.123 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.627 4.467 -3.985 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.827 6.182 -3.682 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.135 3.327 -1.662 1.00 3.36 H new ATOM 0 HD2 PHE A 151 98.067 6.578 -4.256 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.529 2.972 -1.244 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.464 6.223 -3.837 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.198 4.421 -2.328 1.00 3.10 H new ATOM 689 N THR A 152 94.325 2.916 -2.844 1.00 2.56 N ATOM 690 CA THR A 152 93.900 1.519 -2.769 1.00 2.30 C ATOM 691 C THR A 152 95.091 0.571 -2.686 1.00 2.04 C ATOM 692 O THR A 152 95.717 0.253 -3.699 1.00 2.50 O ATOM 693 CB THR A 152 93.046 1.166 -3.984 1.00 3.04 C ATOM 694 OG1 THR A 152 92.299 2.288 -4.415 1.00 3.69 O ATOM 695 CG2 THR A 152 92.073 0.037 -3.723 1.00 3.48 C ATOM 0 H THR A 152 94.323 3.302 -3.788 1.00 2.56 H new ATOM 0 HA THR A 152 93.312 1.402 -1.859 1.00 2.30 H new ATOM 0 HB THR A 152 93.752 0.845 -4.750 1.00 3.04 H new ATOM 0 HG1 THR A 152 92.291 2.319 -5.394 1.00 3.69 H new ATOM 0 HG21 THR A 152 91.497 -0.163 -4.627 1.00 3.48 H new ATOM 0 HG22 THR A 152 92.624 -0.859 -3.437 1.00 3.48 H new ATOM 0 HG23 THR A 152 91.396 0.319 -2.917 1.00 3.48 H new ATOM 703 N CYS A 153 95.394 0.121 -1.474 1.00 1.38 N ATOM 704 CA CYS A 153 96.508 -0.795 -1.255 1.00 1.29 C ATOM 705 C CYS A 153 96.014 -2.230 -1.104 1.00 1.85 C ATOM 706 O CYS A 153 94.820 -2.471 -0.921 1.00 2.08 O ATOM 707 CB CYS A 153 97.285 -0.389 -0.002 1.00 0.64 C ATOM 708 SG CYS A 153 97.824 1.336 0.007 1.00 1.36 S ATOM 0 H CYS A 153 94.884 0.375 -0.628 1.00 1.38 H new ATOM 0 HA CYS A 153 97.164 -0.741 -2.124 1.00 1.29 H new ATOM 0 HB2 CYS A 153 96.660 -0.568 0.873 1.00 0.64 H new ATOM 0 HB3 CYS A 153 98.160 -1.032 0.094 1.00 0.64 H new ATOM 0 HG CYS A 153 98.105 1.709 -1.206 1.00 1.36 H new ATOM 714 N HIS A 154 96.943 -3.177 -1.166 1.00 2.20 N ATOM 715 CA HIS A 154 96.611 -4.588 -1.020 1.00 2.94 C ATOM 716 C HIS A 154 96.075 -4.858 0.382 1.00 3.04 C ATOM 717 O HIS A 154 96.438 -4.170 1.336 1.00 2.70 O ATOM 718 CB HIS A 154 97.845 -5.457 -1.278 1.00 3.32 C ATOM 719 CG HIS A 154 98.036 -5.844 -2.712 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.196 -5.540 -3.382 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.205 -6.514 -3.546 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.050 -6.030 -4.599 1.00 4.13 C ATOM 723 NE2 HIS A 154 97.858 -6.631 -4.748 1.00 4.64 N ATOM 0 H HIS A 154 97.935 -2.992 -1.317 1.00 2.20 H new ATOM 0 HA HIS A 154 95.843 -4.840 -1.752 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.731 -4.921 -0.937 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.770 -6.363 -0.676 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.218 -6.885 -3.311 1.00 4.36 H new ATOM 0 HE1 HIS A 154 99.795 -5.957 -5.377 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.506 -7.086 -5.590 1.00 4.64 H new ATOM 731 N SER A 155 95.210 -5.857 0.502 1.00 3.67 N ATOM 732 CA SER A 155 94.623 -6.210 1.792 1.00 3.98 C ATOM 733 C SER A 155 95.693 -6.354 2.872 1.00 4.20 C ATOM 734 O SER A 155 95.759 -5.553 3.806 1.00 4.08 O ATOM 735 CB SER A 155 93.827 -7.511 1.672 1.00 4.76 C ATOM 736 OG SER A 155 92.777 -7.383 0.731 1.00 5.02 O ATOM 0 H SER A 155 94.898 -6.438 -0.276 1.00 3.67 H new ATOM 0 HA SER A 155 93.953 -5.401 2.085 1.00 3.98 H new ATOM 0 HB2 SER A 155 94.492 -8.321 1.371 1.00 4.76 H new ATOM 0 HB3 SER A 155 93.416 -7.780 2.645 1.00 4.76 H new ATOM 0 HG SER A 155 91.918 -7.546 1.175 1.00 5.02 H new ATOM 742 N GLU A 156 96.521 -7.384 2.744 1.00 4.69 N ATOM 743 CA GLU A 156 97.581 -7.643 3.714 1.00 5.06 C ATOM 744 C GLU A 156 98.632 -6.531 3.730 1.00 4.46 C ATOM 745 O GLU A 156 99.445 -6.458 4.650 1.00 4.76 O ATOM 746 CB GLU A 156 98.252 -8.986 3.417 1.00 5.69 C ATOM 747 CG GLU A 156 98.599 -9.183 1.951 1.00 6.28 C ATOM 748 CD GLU A 156 97.710 -10.209 1.273 1.00 6.92 C ATOM 749 OE1 GLU A 156 97.344 -11.204 1.933 1.00 7.31 O ATOM 750 OE2 GLU A 156 97.378 -10.015 0.085 1.00 7.29 O ATOM 0 H GLU A 156 96.480 -8.055 1.977 1.00 4.69 H new ATOM 0 HA GLU A 156 97.117 -7.674 4.700 1.00 5.06 H new ATOM 0 HB2 GLU A 156 99.162 -9.067 4.011 1.00 5.69 H new ATOM 0 HB3 GLU A 156 97.591 -9.791 3.736 1.00 5.69 H new ATOM 0 HG2 GLU A 156 98.511 -8.230 1.429 1.00 6.28 H new ATOM 0 HG3 GLU A 156 99.639 -9.497 1.867 1.00 6.28 H new ATOM 757 N CYS A 157 98.618 -5.671 2.715 1.00 3.72 N ATOM 758 CA CYS A 157 99.584 -4.579 2.637 1.00 3.15 C ATOM 759 C CYS A 157 99.251 -3.481 3.643 1.00 3.01 C ATOM 760 O CYS A 157 100.145 -2.816 4.165 1.00 3.02 O ATOM 761 CB CYS A 157 99.623 -3.995 1.225 1.00 2.51 C ATOM 762 SG CYS A 157 101.016 -4.596 0.213 1.00 2.62 S ATOM 0 H CYS A 157 97.954 -5.708 1.941 1.00 3.72 H new ATOM 0 HA CYS A 157 100.566 -4.985 2.880 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.689 -4.235 0.718 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.679 -2.909 1.293 1.00 2.51 H new ATOM 767 N ARG A 158 97.964 -3.293 3.909 1.00 3.04 N ATOM 768 CA ARG A 158 97.526 -2.269 4.851 1.00 3.06 C ATOM 769 C ARG A 158 98.141 -2.497 6.231 1.00 3.76 C ATOM 770 O ARG A 158 98.343 -1.553 6.996 1.00 3.88 O ATOM 771 CB ARG A 158 95.998 -2.256 4.952 1.00 3.18 C ATOM 772 CG ARG A 158 95.416 -3.476 5.650 1.00 3.57 C ATOM 773 CD ARG A 158 94.684 -3.095 6.927 1.00 4.14 C ATOM 774 NE ARG A 158 93.708 -4.106 7.323 1.00 4.64 N ATOM 775 CZ ARG A 158 94.020 -5.225 7.973 1.00 5.27 C ATOM 776 NH1 ARG A 158 95.281 -5.482 8.299 1.00 5.53 N ATOM 777 NH2 ARG A 158 93.069 -6.090 8.297 1.00 5.95 N ATOM 0 H ARG A 158 97.208 -3.833 3.488 1.00 3.04 H new ATOM 0 HA ARG A 158 97.865 -1.302 4.480 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.687 -1.360 5.489 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.578 -2.189 3.948 1.00 3.18 H new ATOM 0 HG2 ARG A 158 94.730 -3.989 4.976 1.00 3.57 H new ATOM 0 HG3 ARG A 158 96.216 -4.178 5.884 1.00 3.57 H new ATOM 0 HD2 ARG A 158 95.407 -2.955 7.731 1.00 4.14 H new ATOM 0 HD3 ARG A 158 94.178 -2.140 6.783 1.00 4.14 H new ATOM 0 HE ARG A 158 92.729 -3.945 7.088 1.00 4.64 H new ATOM 0 HH11 ARG A 158 96.017 -4.820 8.051 1.00 5.53 H new ATOM 0 HH12 ARG A 158 95.514 -6.341 8.797 1.00 5.53 H new ATOM 0 HH21 ARG A 158 92.099 -5.898 8.048 1.00 5.95 H new ATOM 0 HH22 ARG A 158 93.308 -6.948 8.795 1.00 5.95 H new ATOM 791 N SER A 159 98.435 -3.754 6.542 1.00 4.35 N ATOM 792 CA SER A 159 99.024 -4.109 7.827 1.00 5.07 C ATOM 793 C SER A 159 100.444 -3.564 7.954 1.00 5.04 C ATOM 794 O SER A 159 100.920 -3.301 9.059 1.00 5.56 O ATOM 795 CB SER A 159 99.030 -5.626 8.005 1.00 5.71 C ATOM 796 OG SER A 159 99.253 -5.981 9.360 1.00 6.02 O ATOM 0 H SER A 159 98.274 -4.546 5.920 1.00 4.35 H new ATOM 0 HA SER A 159 98.415 -3.658 8.610 1.00 5.07 H new ATOM 0 HB2 SER A 159 98.078 -6.038 7.670 1.00 5.71 H new ATOM 0 HB3 SER A 159 99.806 -6.066 7.378 1.00 5.71 H new ATOM 0 HG SER A 159 99.251 -6.957 9.447 1.00 6.02 H new ATOM 802 N LEU A 160 101.120 -3.401 6.821 1.00 4.50 N ATOM 803 CA LEU A 160 102.488 -2.892 6.819 1.00 4.49 C ATOM 804 C LEU A 160 102.517 -1.385 6.566 1.00 4.25 C ATOM 805 O LEU A 160 103.534 -0.841 6.134 1.00 4.39 O ATOM 806 CB LEU A 160 103.330 -3.624 5.766 1.00 4.13 C ATOM 807 CG LEU A 160 103.168 -3.121 4.326 1.00 4.38 C ATOM 808 CD1 LEU A 160 104.406 -2.357 3.883 1.00 4.84 C ATOM 809 CD2 LEU A 160 102.891 -4.283 3.382 1.00 4.59 C ATOM 0 H LEU A 160 100.745 -3.613 5.896 1.00 4.50 H new ATOM 0 HA LEU A 160 102.916 -3.078 7.804 1.00 4.49 H new ATOM 0 HB2 LEU A 160 104.381 -3.542 6.045 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.074 -4.683 5.794 1.00 4.13 H new ATOM 0 HG LEU A 160 102.316 -2.441 4.294 1.00 4.38 H new ATOM 0 HD11 LEU A 160 104.271 -2.009 2.859 1.00 4.84 H new ATOM 0 HD12 LEU A 160 104.560 -1.501 4.540 1.00 4.84 H new ATOM 0 HD13 LEU A 160 105.275 -3.013 3.932 1.00 4.84 H new ATOM 0 HD21 LEU A 160 102.779 -3.907 2.365 1.00 4.59 H new ATOM 0 HD22 LEU A 160 103.722 -4.988 3.419 1.00 4.59 H new ATOM 0 HD23 LEU A 160 101.974 -4.787 3.685 1.00 4.59 H new ATOM 821 N ILE A 161 101.401 -0.715 6.839 1.00 4.04 N ATOM 822 CA ILE A 161 101.312 0.725 6.640 1.00 4.02 C ATOM 823 C ILE A 161 100.704 1.411 7.859 1.00 4.66 C ATOM 824 O ILE A 161 99.486 1.414 8.040 1.00 4.65 O ATOM 825 CB ILE A 161 100.473 1.072 5.393 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.959 0.269 4.185 1.00 2.89 C ATOM 827 CG2 ILE A 161 100.539 2.566 5.107 1.00 3.55 C ATOM 828 CD1 ILE A 161 99.899 0.074 3.121 1.00 2.37 C ATOM 0 H ILE A 161 100.549 -1.146 7.198 1.00 4.04 H new ATOM 0 HA ILE A 161 102.329 1.087 6.493 1.00 4.02 H new ATOM 0 HB ILE A 161 99.434 0.806 5.587 1.00 3.40 H new ATOM 0 HG12 ILE A 161 101.817 0.776 3.743 1.00 2.89 H new ATOM 0 HG13 ILE A 161 101.306 -0.707 4.524 1.00 2.89 H new ATOM 0 HG21 ILE A 161 99.942 2.794 4.224 1.00 3.55 H new ATOM 0 HG22 ILE A 161 100.148 3.118 5.962 1.00 3.55 H new ATOM 0 HG23 ILE A 161 101.574 2.857 4.930 1.00 3.55 H new ATOM 0 HD11 ILE A 161 100.314 -0.504 2.295 1.00 2.37 H new ATOM 0 HD12 ILE A 161 99.050 -0.461 3.547 1.00 2.37 H new ATOM 0 HD13 ILE A 161 99.569 1.046 2.754 1.00 2.37 H new ATOM 840 N GLN A 162 101.562 1.990 8.693 1.00 5.30 N ATOM 841 CA GLN A 162 101.113 2.678 9.898 1.00 6.01 C ATOM 842 C GLN A 162 101.150 4.193 9.707 1.00 6.16 C ATOM 843 O GLN A 162 101.380 4.940 10.657 1.00 6.76 O ATOM 844 CB GLN A 162 101.981 2.278 11.092 1.00 6.80 C ATOM 845 CG GLN A 162 101.196 1.642 12.228 1.00 6.97 C ATOM 846 CD GLN A 162 102.082 0.876 13.190 1.00 7.56 C ATOM 847 OE1 GLN A 162 102.985 1.443 13.805 1.00 8.05 O ATOM 848 NE2 GLN A 162 101.828 -0.420 13.325 1.00 7.77 N ATOM 0 H GLN A 162 102.573 1.996 8.556 1.00 5.30 H new ATOM 0 HA GLN A 162 100.082 2.382 10.093 1.00 6.01 H new ATOM 0 HB2 GLN A 162 102.748 1.580 10.756 1.00 6.80 H new ATOM 0 HB3 GLN A 162 102.497 3.162 11.468 1.00 6.80 H new ATOM 0 HG2 GLN A 162 100.659 2.418 12.773 1.00 6.97 H new ATOM 0 HG3 GLN A 162 100.447 0.967 11.814 1.00 6.97 H new ATOM 0 HE21 GLN A 162 101.069 -0.849 12.795 1.00 7.77 H new ATOM 0 HE22 GLN A 162 102.392 -0.987 13.958 1.00 7.77 H new ATOM 857 N LEU A 163 100.920 4.635 8.476 1.00 5.80 N ATOM 858 CA LEU A 163 100.928 6.060 8.164 1.00 6.11 C ATOM 859 C LEU A 163 99.708 6.752 8.762 1.00 6.27 C ATOM 860 O LEU A 163 98.573 6.346 8.522 1.00 6.00 O ATOM 861 CB LEU A 163 100.959 6.272 6.650 1.00 5.81 C ATOM 862 CG LEU A 163 101.752 7.494 6.184 1.00 6.22 C ATOM 863 CD1 LEU A 163 101.222 8.756 6.845 1.00 6.32 C ATOM 864 CD2 LEU A 163 103.233 7.313 6.485 1.00 6.57 C ATOM 0 H LEU A 163 100.726 4.029 7.679 1.00 5.80 H new ATOM 0 HA LEU A 163 101.824 6.499 8.602 1.00 6.11 H new ATOM 0 HB2 LEU A 163 101.382 5.383 6.182 1.00 5.81 H new ATOM 0 HB3 LEU A 163 99.934 6.364 6.290 1.00 5.81 H new ATOM 0 HG LEU A 163 101.630 7.595 5.106 1.00 6.22 H new ATOM 0 HD11 LEU A 163 101.798 9.616 6.502 1.00 6.32 H new ATOM 0 HD12 LEU A 163 100.173 8.893 6.580 1.00 6.32 H new ATOM 0 HD13 LEU A 163 101.314 8.666 7.927 1.00 6.32 H new ATOM 0 HD21 LEU A 163 103.783 8.191 6.147 1.00 6.57 H new ATOM 0 HD22 LEU A 163 103.373 7.188 7.559 1.00 6.57 H new ATOM 0 HD23 LEU A 163 103.605 6.430 5.965 1.00 6.57 H new ATOM 876 N ASP A 164 99.953 7.801 9.542 1.00 6.82 N ATOM 877 CA ASP A 164 98.874 8.551 10.174 1.00 7.11 C ATOM 878 C ASP A 164 98.018 9.255 9.128 1.00 6.85 C ATOM 879 O ASP A 164 98.533 9.790 8.147 1.00 6.80 O ATOM 880 CB ASP A 164 99.443 9.576 11.157 1.00 7.92 C ATOM 881 CG ASP A 164 98.417 10.031 12.175 1.00 8.46 C ATOM 882 OD1 ASP A 164 97.572 9.204 12.578 1.00 8.71 O ATOM 883 OD2 ASP A 164 98.459 11.215 12.570 1.00 8.87 O ATOM 0 H ASP A 164 100.888 8.150 9.751 1.00 6.82 H new ATOM 0 HA ASP A 164 98.246 7.846 10.719 1.00 7.11 H new ATOM 0 HB2 ASP A 164 100.298 9.142 11.676 1.00 7.92 H new ATOM 0 HB3 ASP A 164 99.811 10.441 10.604 1.00 7.92 H new ATOM 888 N CYS A 165 96.707 9.247 9.342 1.00 6.77 N ATOM 889 CA CYS A 165 95.781 9.884 8.415 1.00 6.61 C ATOM 890 C CYS A 165 96.005 11.389 8.371 1.00 7.27 C ATOM 891 O CYS A 165 95.650 12.112 9.302 1.00 7.79 O ATOM 892 CB CYS A 165 94.338 9.582 8.811 1.00 6.46 C ATOM 893 SG CYS A 165 93.199 9.405 7.400 1.00 5.92 S ATOM 0 H CYS A 165 96.263 8.807 10.148 1.00 6.77 H new ATOM 0 HA CYS A 165 95.967 9.478 7.421 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.318 8.663 9.397 1.00 6.46 H new ATOM 0 HB3 CYS A 165 93.976 10.381 9.458 1.00 6.46 H new ATOM 898 N ARG A 166 96.597 11.848 7.279 1.00 7.27 N ATOM 899 CA ARG A 166 96.876 13.268 7.096 1.00 7.93 C ATOM 900 C ARG A 166 95.707 13.968 6.411 1.00 8.10 C ATOM 901 O ARG A 166 95.240 15.002 6.881 1.00 0.00 O ATOM 902 CB ARG A 166 98.152 13.456 6.273 1.00 7.96 C ATOM 903 CG ARG A 166 99.391 12.862 6.925 1.00 7.80 C ATOM 904 CD ARG A 166 100.502 13.891 7.058 1.00 8.18 C ATOM 905 NE ARG A 166 101.407 13.872 5.910 1.00 8.38 N ATOM 906 CZ ARG A 166 102.371 12.969 5.741 1.00 8.69 C ATOM 907 NH1 ARG A 166 102.561 12.014 6.643 1.00 8.85 N ATOM 908 NH2 ARG A 166 103.146 13.023 4.667 1.00 9.07 N ATOM 0 H ARG A 166 96.895 11.257 6.503 1.00 7.27 H new ATOM 0 HA ARG A 166 97.017 13.715 8.080 1.00 7.93 H new ATOM 0 HB2 ARG A 166 98.013 12.999 5.293 1.00 7.96 H new ATOM 0 HB3 ARG A 166 98.314 14.521 6.108 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.134 12.474 7.911 1.00 7.80 H new ATOM 0 HG3 ARG A 166 99.745 12.018 6.333 1.00 7.80 H new ATOM 0 HD2 ARG A 166 100.065 14.885 7.159 1.00 8.18 H new ATOM 0 HD3 ARG A 166 101.068 13.697 7.969 1.00 8.18 H new ATOM 0 HE ARG A 166 101.293 14.592 5.197 1.00 8.38 H new ATOM 0 HH11 ARG A 166 101.967 11.969 7.471 1.00 8.85 H new ATOM 0 HH12 ARG A 166 103.301 11.325 6.508 1.00 8.85 H new ATOM 0 HH21 ARG A 166 103.004 13.755 3.972 1.00 9.07 H new ATOM 0 HH22 ARG A 166 103.885 12.332 4.536 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.487 -4.354 -2.016 1.00 2.57 ZN HETATM 924 ZN ZN A 2 93.993 7.687 6.094 1.00 4.87 ZN