USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 154 HIS HD1 : A 154 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 118 HIS : no HE2:sc= -2.76 K(o=-2.8,f=-10!) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 ASN : amide:sc= -0.0738 X(o=-0.074,f=-0.53) USER MOD Single : A 150 LYS NZ :NH3+ 140:sc= -1.94 (180deg=-3.63!) USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.0448 USER MOD Single : A 153 CYS SG : rot -37:sc= -0.137 USER MOD Single : A 155 SER OG : rot 130:sc= -0.0431 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= -0.0785 X(o=-0.079,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 108 83.302 -0.990 16.659 1.00 10.33 N ATOM 2 CA PRO A 108 83.835 -1.853 15.572 1.00 9.87 C ATOM 3 C PRO A 108 85.232 -1.413 15.135 1.00 9.14 C ATOM 4 O PRO A 108 85.424 -0.287 14.675 1.00 9.03 O ATOM 5 CB PRO A 108 82.862 -1.772 14.398 1.00 10.34 C ATOM 6 CG PRO A 108 81.716 -0.972 14.924 1.00 11.01 C ATOM 7 CD PRO A 108 82.261 -0.138 16.058 1.00 10.96 C ATOM 0 HA PRO A 108 83.926 -2.878 15.932 1.00 9.87 H new ATOM 0 HB2 PRO A 108 83.320 -1.290 13.534 1.00 10.34 H new ATOM 0 HB3 PRO A 108 82.541 -2.763 14.078 1.00 10.34 H new ATOM 0 HG2 PRO A 108 81.295 -0.338 14.144 1.00 11.01 H new ATOM 0 HG3 PRO A 108 80.915 -1.624 15.272 1.00 11.01 H new ATOM 0 HD2 PRO A 108 82.675 0.804 15.698 1.00 10.96 H new ATOM 0 HD3 PRO A 108 81.483 0.111 16.780 1.00 10.96 H new ATOM 17 N ARG A 109 86.202 -2.310 15.279 1.00 8.91 N ATOM 18 CA ARG A 109 87.579 -2.015 14.900 1.00 8.49 C ATOM 19 C ARG A 109 87.836 -2.400 13.447 1.00 7.86 C ATOM 20 O ARG A 109 88.497 -1.668 12.709 1.00 7.78 O ATOM 21 CB ARG A 109 88.553 -2.757 15.818 1.00 8.84 C ATOM 22 CG ARG A 109 88.841 -2.025 17.119 1.00 9.50 C ATOM 23 CD ARG A 109 89.903 -0.953 16.935 1.00 10.20 C ATOM 24 NE ARG A 109 91.158 -1.307 17.596 1.00 10.78 N ATOM 25 CZ ARG A 109 92.225 -0.512 17.635 1.00 11.32 C ATOM 26 NH1 ARG A 109 92.195 0.680 17.053 1.00 11.37 N ATOM 27 NH2 ARG A 109 93.324 -0.909 18.259 1.00 12.00 N ATOM 0 H ARG A 109 86.060 -3.247 15.655 1.00 8.91 H new ATOM 0 HA ARG A 109 87.738 -0.942 15.006 1.00 8.49 H new ATOM 0 HB2 ARG A 109 88.145 -3.741 16.047 1.00 8.84 H new ATOM 0 HB3 ARG A 109 89.491 -2.917 15.286 1.00 8.84 H new ATOM 0 HG2 ARG A 109 87.924 -1.569 17.491 1.00 9.50 H new ATOM 0 HG3 ARG A 109 89.171 -2.739 17.874 1.00 9.50 H new ATOM 0 HD2 ARG A 109 90.084 -0.801 15.871 1.00 10.20 H new ATOM 0 HD3 ARG A 109 89.537 -0.007 17.335 1.00 10.20 H new ATOM 0 HE ARG A 109 91.220 -2.216 18.054 1.00 10.78 H new ATOM 0 HH11 ARG A 109 91.351 0.992 16.572 1.00 11.37 H new ATOM 0 HH12 ARG A 109 93.016 1.285 17.086 1.00 11.37 H new ATOM 0 HH21 ARG A 109 93.353 -1.824 18.709 1.00 12.00 H new ATOM 0 HH22 ARG A 109 94.142 -0.300 18.289 1.00 12.00 H new ATOM 41 N VAL A 110 87.311 -3.551 13.043 1.00 7.68 N ATOM 42 CA VAL A 110 87.484 -4.035 11.679 1.00 7.34 C ATOM 43 C VAL A 110 86.907 -3.047 10.669 1.00 6.54 C ATOM 44 O VAL A 110 87.465 -2.847 9.591 1.00 6.26 O ATOM 45 CB VAL A 110 86.815 -5.410 11.483 1.00 7.82 C ATOM 46 CG1 VAL A 110 85.315 -5.318 11.726 1.00 8.21 C ATOM 47 CG2 VAL A 110 87.103 -5.953 10.090 1.00 8.46 C ATOM 0 H VAL A 110 86.761 -4.167 13.642 1.00 7.68 H new ATOM 0 HA VAL A 110 88.556 -4.136 11.510 1.00 7.34 H new ATOM 0 HB VAL A 110 87.236 -6.102 12.213 1.00 7.82 H new ATOM 0 HG11 VAL A 110 84.862 -6.299 11.582 1.00 8.21 H new ATOM 0 HG12 VAL A 110 85.132 -4.979 12.746 1.00 8.21 H new ATOM 0 HG13 VAL A 110 84.875 -4.609 11.024 1.00 8.21 H new ATOM 0 HG21 VAL A 110 86.622 -6.924 9.971 1.00 8.46 H new ATOM 0 HG22 VAL A 110 86.714 -5.262 9.342 1.00 8.46 H new ATOM 0 HG23 VAL A 110 88.179 -6.062 9.958 1.00 8.46 H new ATOM 57 N LEU A 111 85.784 -2.431 11.027 1.00 6.49 N ATOM 58 CA LEU A 111 85.131 -1.465 10.152 1.00 6.05 C ATOM 59 C LEU A 111 86.052 -0.285 9.860 1.00 5.68 C ATOM 60 O LEU A 111 87.210 -0.271 10.278 1.00 6.10 O ATOM 61 CB LEU A 111 83.830 -0.969 10.788 1.00 6.60 C ATOM 62 CG LEU A 111 82.634 -0.884 9.834 1.00 6.95 C ATOM 63 CD1 LEU A 111 81.466 -1.702 10.364 1.00 7.53 C ATOM 64 CD2 LEU A 111 82.218 0.565 9.624 1.00 7.37 C ATOM 0 H LEU A 111 85.308 -2.584 11.916 1.00 6.49 H new ATOM 0 HA LEU A 111 84.900 -1.962 9.210 1.00 6.05 H new ATOM 0 HB2 LEU A 111 83.571 -1.632 11.613 1.00 6.60 H new ATOM 0 HB3 LEU A 111 84.005 0.018 11.215 1.00 6.60 H new ATOM 0 HG LEU A 111 82.935 -1.298 8.872 1.00 6.95 H new ATOM 0 HD11 LEU A 111 80.627 -1.629 9.672 1.00 7.53 H new ATOM 0 HD12 LEU A 111 81.767 -2.745 10.460 1.00 7.53 H new ATOM 0 HD13 LEU A 111 81.167 -1.319 11.340 1.00 7.53 H new ATOM 0 HD21 LEU A 111 81.367 0.604 8.944 1.00 7.37 H new ATOM 0 HD22 LEU A 111 81.938 1.005 10.581 1.00 7.37 H new ATOM 0 HD23 LEU A 111 83.050 1.124 9.197 1.00 7.37 H new ATOM 76 N ALA A 112 85.530 0.705 9.141 1.00 5.15 N ATOM 77 CA ALA A 112 86.305 1.889 8.796 1.00 4.90 C ATOM 78 C ALA A 112 86.037 3.027 9.776 1.00 5.28 C ATOM 79 O ALA A 112 85.939 4.189 9.381 1.00 5.66 O ATOM 80 CB ALA A 112 85.988 2.328 7.373 1.00 4.47 C ATOM 0 H ALA A 112 84.573 0.709 8.787 1.00 5.15 H new ATOM 0 HA ALA A 112 87.363 1.633 8.860 1.00 4.90 H new ATOM 0 HB1 ALA A 112 86.573 3.214 7.127 1.00 4.47 H new ATOM 0 HB2 ALA A 112 86.237 1.524 6.680 1.00 4.47 H new ATOM 0 HB3 ALA A 112 84.926 2.561 7.292 1.00 4.47 H new ATOM 86 N GLU A 113 85.919 2.685 11.054 1.00 5.43 N ATOM 87 CA GLU A 113 85.662 3.677 12.090 1.00 5.94 C ATOM 88 C GLU A 113 86.966 4.175 12.702 1.00 6.10 C ATOM 89 O GLU A 113 88.051 3.892 12.194 1.00 6.17 O ATOM 90 CB GLU A 113 84.765 3.086 13.181 1.00 6.32 C ATOM 91 CG GLU A 113 83.737 4.067 13.719 1.00 6.89 C ATOM 92 CD GLU A 113 82.403 3.409 14.018 1.00 7.44 C ATOM 93 OE1 GLU A 113 81.722 2.987 13.060 1.00 7.69 O ATOM 94 OE2 GLU A 113 82.041 3.317 15.209 1.00 7.92 O ATOM 0 H GLU A 113 85.997 1.728 11.397 1.00 5.43 H new ATOM 0 HA GLU A 113 85.152 4.523 11.629 1.00 5.94 H new ATOM 0 HB2 GLU A 113 84.248 2.213 12.782 1.00 6.32 H new ATOM 0 HB3 GLU A 113 85.389 2.738 14.004 1.00 6.32 H new ATOM 0 HG2 GLU A 113 84.122 4.529 14.628 1.00 6.89 H new ATOM 0 HG3 GLU A 113 83.589 4.867 12.993 1.00 6.89 H new ATOM 101 N ARG A 114 86.854 4.920 13.798 1.00 6.45 N ATOM 102 CA ARG A 114 88.026 5.457 14.479 1.00 6.82 C ATOM 103 C ARG A 114 88.898 4.336 15.034 1.00 6.52 C ATOM 104 O ARG A 114 88.503 3.633 15.964 1.00 6.48 O ATOM 105 CB ARG A 114 87.599 6.394 15.611 1.00 7.39 C ATOM 106 CG ARG A 114 86.666 7.506 15.161 1.00 8.23 C ATOM 107 CD ARG A 114 86.731 8.700 16.099 1.00 8.84 C ATOM 108 NE ARG A 114 86.401 8.335 17.475 1.00 9.52 N ATOM 109 CZ ARG A 114 86.629 9.120 18.526 1.00 10.11 C ATOM 110 NH1 ARG A 114 87.187 10.313 18.363 1.00 10.12 N ATOM 111 NH2 ARG A 114 86.298 8.709 19.742 1.00 10.88 N ATOM 0 H ARG A 114 85.964 5.165 14.232 1.00 6.45 H new ATOM 0 HA ARG A 114 88.611 6.019 13.751 1.00 6.82 H new ATOM 0 HB2 ARG A 114 87.106 5.810 16.388 1.00 7.39 H new ATOM 0 HB3 ARG A 114 88.488 6.837 16.060 1.00 7.39 H new ATOM 0 HG2 ARG A 114 86.932 7.820 14.152 1.00 8.23 H new ATOM 0 HG3 ARG A 114 85.644 7.130 15.119 1.00 8.23 H new ATOM 0 HD2 ARG A 114 87.732 9.131 16.068 1.00 8.84 H new ATOM 0 HD3 ARG A 114 86.042 9.470 15.753 1.00 8.84 H new ATOM 0 HE ARG A 114 85.971 7.425 17.640 1.00 9.52 H new ATOM 0 HH11 ARG A 114 87.443 10.633 17.429 1.00 10.12 H new ATOM 0 HH12 ARG A 114 87.359 10.910 19.172 1.00 10.12 H new ATOM 0 HH21 ARG A 114 85.869 7.793 19.872 1.00 10.88 H new ATOM 0 HH22 ARG A 114 86.472 9.309 20.548 1.00 10.88 H new ATOM 125 N GLY A 115 90.085 4.176 14.458 1.00 6.59 N ATOM 126 CA GLY A 115 90.995 3.140 14.908 1.00 6.53 C ATOM 127 C GLY A 115 92.438 3.602 14.919 1.00 6.78 C ATOM 128 O GLY A 115 92.849 4.352 15.806 1.00 6.99 O ATOM 0 H GLY A 115 90.433 4.746 13.687 1.00 6.59 H new ATOM 0 HA2 GLY A 115 90.711 2.822 15.911 1.00 6.53 H new ATOM 0 HA3 GLY A 115 90.900 2.270 14.258 1.00 6.53 H new ATOM 132 N GLU A 116 93.208 3.157 13.932 1.00 6.92 N ATOM 133 CA GLU A 116 94.614 3.531 13.833 1.00 7.28 C ATOM 134 C GLU A 116 94.764 4.915 13.206 1.00 7.01 C ATOM 135 O GLU A 116 95.707 5.646 13.510 1.00 7.37 O ATOM 136 CB GLU A 116 95.383 2.493 13.011 1.00 7.73 C ATOM 137 CG GLU A 116 96.440 1.749 13.808 1.00 8.27 C ATOM 138 CD GLU A 116 96.916 0.490 13.113 1.00 8.72 C ATOM 139 OE1 GLU A 116 96.118 -0.464 13.000 1.00 8.96 O ATOM 140 OE2 GLU A 116 98.088 0.457 12.680 1.00 9.05 O ATOM 0 H GLU A 116 92.883 2.537 13.190 1.00 6.92 H new ATOM 0 HA GLU A 116 95.030 3.563 14.840 1.00 7.28 H new ATOM 0 HB2 GLU A 116 94.677 1.773 12.599 1.00 7.73 H new ATOM 0 HB3 GLU A 116 95.860 2.991 12.167 1.00 7.73 H new ATOM 0 HG2 GLU A 116 97.291 2.408 13.980 1.00 8.27 H new ATOM 0 HG3 GLU A 116 96.036 1.489 14.786 1.00 8.27 H new ATOM 147 N GLY A 117 93.829 5.265 12.328 1.00 6.59 N ATOM 148 CA GLY A 117 93.875 6.559 11.672 1.00 6.40 C ATOM 149 C GLY A 117 93.136 6.564 10.349 1.00 5.64 C ATOM 150 O GLY A 117 92.140 7.271 10.189 1.00 5.49 O ATOM 0 H GLY A 117 93.041 4.676 12.059 1.00 6.59 H new ATOM 0 HA2 GLY A 117 93.441 7.312 12.330 1.00 6.40 H new ATOM 0 HA3 GLY A 117 94.914 6.842 11.505 1.00 6.40 H new ATOM 154 N HIS A 118 93.622 5.775 9.398 1.00 5.19 N ATOM 155 CA HIS A 118 93.002 5.689 8.081 1.00 4.46 C ATOM 156 C HIS A 118 91.659 4.969 8.159 1.00 4.06 C ATOM 157 O HIS A 118 91.418 4.183 9.075 1.00 4.20 O ATOM 158 CB HIS A 118 93.924 4.955 7.106 1.00 4.14 C ATOM 159 CG HIS A 118 95.312 5.511 7.054 1.00 4.36 C ATOM 160 ND1 HIS A 118 95.546 6.863 7.093 1.00 4.82 N ATOM 161 CD2 HIS A 118 96.497 4.859 6.965 1.00 4.24 C ATOM 162 CE1 HIS A 118 96.859 7.006 7.028 1.00 4.97 C ATOM 163 NE2 HIS A 118 97.477 5.818 6.949 1.00 4.60 N ATOM 0 H HIS A 118 94.445 5.184 9.515 1.00 5.19 H new ATOM 0 HA HIS A 118 92.834 6.704 7.721 1.00 4.46 H new ATOM 0 HB2 HIS A 118 93.974 3.904 7.389 1.00 4.14 H new ATOM 0 HB3 HIS A 118 93.488 4.996 6.108 1.00 4.14 H new ATOM 0 HD1 HIS A 118 94.850 7.605 7.159 1.00 4.82 H new ATOM 0 HD2 HIS A 118 96.642 3.790 6.916 1.00 4.24 H new ATOM 0 HE1 HIS A 118 97.369 7.958 7.037 1.00 4.97 H new ATOM 171 N ARG A 119 90.792 5.235 7.188 1.00 3.68 N ATOM 172 CA ARG A 119 89.480 4.602 7.146 1.00 3.29 C ATOM 173 C ARG A 119 89.487 3.428 6.175 1.00 2.55 C ATOM 174 O ARG A 119 88.964 2.355 6.477 1.00 2.42 O ATOM 175 CB ARG A 119 88.405 5.616 6.743 1.00 3.40 C ATOM 176 CG ARG A 119 88.642 6.251 5.382 1.00 3.29 C ATOM 177 CD ARG A 119 87.510 7.193 5.004 1.00 3.67 C ATOM 178 NE ARG A 119 86.199 6.579 5.208 1.00 3.86 N ATOM 179 CZ ARG A 119 85.066 7.269 5.313 1.00 4.35 C ATOM 180 NH1 ARG A 119 85.076 8.595 5.231 1.00 4.64 N ATOM 181 NH2 ARG A 119 83.918 6.633 5.501 1.00 4.88 N ATOM 0 H ARG A 119 90.974 5.883 6.422 1.00 3.68 H new ATOM 0 HA ARG A 119 89.248 4.229 8.144 1.00 3.29 H new ATOM 0 HB2 ARG A 119 87.434 5.120 6.739 1.00 3.40 H new ATOM 0 HB3 ARG A 119 88.358 6.402 7.497 1.00 3.40 H new ATOM 0 HG2 ARG A 119 89.584 6.799 5.394 1.00 3.29 H new ATOM 0 HG3 ARG A 119 88.736 5.471 4.626 1.00 3.29 H new ATOM 0 HD2 ARG A 119 87.581 8.103 5.599 1.00 3.67 H new ATOM 0 HD3 ARG A 119 87.615 7.486 3.959 1.00 3.67 H new ATOM 0 HE ARG A 119 86.150 5.562 5.274 1.00 3.86 H new ATOM 0 HH11 ARG A 119 85.956 9.090 5.087 1.00 4.64 H new ATOM 0 HH12 ARG A 119 84.204 9.118 5.312 1.00 4.64 H new ATOM 0 HH21 ARG A 119 83.903 5.615 5.565 1.00 4.88 H new ATOM 0 HH22 ARG A 119 83.049 7.162 5.582 1.00 4.88 H new ATOM 195 N PHE A 120 90.093 3.638 5.011 1.00 2.20 N ATOM 196 CA PHE A 120 90.185 2.599 3.991 1.00 1.52 C ATOM 197 C PHE A 120 88.806 2.069 3.611 1.00 1.27 C ATOM 198 O PHE A 120 88.177 1.338 4.375 1.00 1.46 O ATOM 199 CB PHE A 120 91.061 1.449 4.487 1.00 1.60 C ATOM 200 CG PHE A 120 92.532 1.756 4.455 1.00 1.77 C ATOM 201 CD1 PHE A 120 93.223 1.779 3.253 1.00 1.32 C ATOM 202 CD2 PHE A 120 93.225 2.020 5.626 1.00 2.46 C ATOM 203 CE1 PHE A 120 94.575 2.060 3.221 1.00 1.56 C ATOM 204 CE2 PHE A 120 94.577 2.302 5.600 1.00 2.70 C ATOM 205 CZ PHE A 120 95.254 2.321 4.395 1.00 2.25 C ATOM 0 H PHE A 120 90.529 4.522 4.750 1.00 2.20 H new ATOM 0 HA PHE A 120 90.636 3.043 3.104 1.00 1.52 H new ATOM 0 HB2 PHE A 120 90.773 1.198 5.508 1.00 1.60 H new ATOM 0 HB3 PHE A 120 90.869 0.567 3.876 1.00 1.60 H new ATOM 0 HD1 PHE A 120 92.698 1.575 2.331 1.00 1.32 H new ATOM 0 HD2 PHE A 120 92.701 2.005 6.570 1.00 2.46 H new ATOM 0 HE1 PHE A 120 95.101 2.076 2.278 1.00 1.56 H new ATOM 0 HE2 PHE A 120 95.104 2.507 6.520 1.00 2.70 H new ATOM 0 HZ PHE A 120 96.311 2.539 4.372 1.00 2.25 H new ATOM 215 N VAL A 121 88.349 2.433 2.419 1.00 1.28 N ATOM 216 CA VAL A 121 87.050 1.988 1.931 1.00 1.47 C ATOM 217 C VAL A 121 87.205 0.809 0.978 1.00 1.73 C ATOM 218 O VAL A 121 87.814 0.932 -0.085 1.00 2.05 O ATOM 219 CB VAL A 121 86.296 3.121 1.207 1.00 2.05 C ATOM 220 CG1 VAL A 121 84.857 2.710 0.927 1.00 2.26 C ATOM 221 CG2 VAL A 121 86.345 4.407 2.022 1.00 2.59 C ATOM 0 H VAL A 121 88.859 3.035 1.773 1.00 1.28 H new ATOM 0 HA VAL A 121 86.472 1.682 2.803 1.00 1.47 H new ATOM 0 HB VAL A 121 86.789 3.308 0.253 1.00 2.05 H new ATOM 0 HG11 VAL A 121 84.340 3.522 0.416 1.00 2.26 H new ATOM 0 HG12 VAL A 121 84.849 1.821 0.297 1.00 2.26 H new ATOM 0 HG13 VAL A 121 84.351 2.493 1.868 1.00 2.26 H new ATOM 0 HG21 VAL A 121 85.807 5.194 1.493 1.00 2.59 H new ATOM 0 HG22 VAL A 121 85.880 4.240 2.994 1.00 2.59 H new ATOM 0 HG23 VAL A 121 87.383 4.709 2.163 1.00 2.59 H new ATOM 231 N GLU A 122 86.655 -0.338 1.366 1.00 1.96 N ATOM 232 CA GLU A 122 86.736 -1.544 0.546 1.00 2.61 C ATOM 233 C GLU A 122 86.277 -1.272 -0.883 1.00 3.15 C ATOM 234 O GLU A 122 85.199 -0.718 -1.106 1.00 3.31 O ATOM 235 CB GLU A 122 85.890 -2.662 1.161 1.00 3.09 C ATOM 236 CG GLU A 122 84.408 -2.333 1.235 1.00 3.41 C ATOM 237 CD GLU A 122 83.638 -3.305 2.107 1.00 3.75 C ATOM 238 OE1 GLU A 122 83.820 -4.528 1.935 1.00 4.17 O ATOM 239 OE2 GLU A 122 82.855 -2.841 2.961 1.00 4.00 O ATOM 0 H GLU A 122 86.148 -0.458 2.243 1.00 1.96 H new ATOM 0 HA GLU A 122 87.779 -1.858 0.516 1.00 2.61 H new ATOM 0 HB2 GLU A 122 86.023 -3.571 0.575 1.00 3.09 H new ATOM 0 HB3 GLU A 122 86.257 -2.874 2.165 1.00 3.09 H new ATOM 0 HG2 GLU A 122 84.283 -1.323 1.625 1.00 3.41 H new ATOM 0 HG3 GLU A 122 83.987 -2.341 0.230 1.00 3.41 H new ATOM 246 N LEU A 123 87.102 -1.663 -1.849 1.00 3.56 N ATOM 247 CA LEU A 123 86.785 -1.462 -3.255 1.00 4.25 C ATOM 248 C LEU A 123 86.211 -2.737 -3.868 1.00 4.92 C ATOM 249 O LEU A 123 86.917 -3.732 -4.030 1.00 5.12 O ATOM 250 CB LEU A 123 88.040 -1.022 -4.017 1.00 4.48 C ATOM 251 CG LEU A 123 87.942 -1.103 -5.541 1.00 4.92 C ATOM 252 CD1 LEU A 123 86.909 -0.118 -6.064 1.00 5.51 C ATOM 253 CD2 LEU A 123 89.301 -0.844 -6.174 1.00 5.24 C ATOM 0 H LEU A 123 87.997 -2.122 -1.681 1.00 3.56 H new ATOM 0 HA LEU A 123 86.031 -0.679 -3.332 1.00 4.25 H new ATOM 0 HB2 LEU A 123 88.272 0.006 -3.739 1.00 4.48 H new ATOM 0 HB3 LEU A 123 88.878 -1.638 -3.690 1.00 4.48 H new ATOM 0 HG LEU A 123 87.621 -2.108 -5.814 1.00 4.92 H new ATOM 0 HD11 LEU A 123 86.854 -0.191 -7.150 1.00 5.51 H new ATOM 0 HD12 LEU A 123 85.934 -0.351 -5.635 1.00 5.51 H new ATOM 0 HD13 LEU A 123 87.197 0.895 -5.782 1.00 5.51 H new ATOM 0 HD21 LEU A 123 89.215 -0.905 -7.259 1.00 5.24 H new ATOM 0 HD22 LEU A 123 89.650 0.150 -5.893 1.00 5.24 H new ATOM 0 HD23 LEU A 123 90.014 -1.591 -5.824 1.00 5.24 H new ATOM 265 N ALA A 124 84.927 -2.700 -4.204 1.00 5.38 N ATOM 266 CA ALA A 124 84.257 -3.852 -4.796 1.00 6.08 C ATOM 267 C ALA A 124 84.875 -4.213 -6.142 1.00 6.69 C ATOM 268 O ALA A 124 84.613 -3.561 -7.152 1.00 7.13 O ATOM 269 CB ALA A 124 82.769 -3.572 -4.954 1.00 6.38 C ATOM 0 H ALA A 124 84.328 -1.884 -4.077 1.00 5.38 H new ATOM 0 HA ALA A 124 84.387 -4.702 -4.126 1.00 6.08 H new ATOM 0 HB1 ALA A 124 82.280 -4.440 -5.397 1.00 6.38 H new ATOM 0 HB2 ALA A 124 82.331 -3.369 -3.977 1.00 6.38 H new ATOM 0 HB3 ALA A 124 82.628 -2.707 -5.602 1.00 6.38 H new ATOM 275 N LEU A 125 85.697 -5.258 -6.148 1.00 6.81 N ATOM 276 CA LEU A 125 86.352 -5.707 -7.370 1.00 7.42 C ATOM 277 C LEU A 125 85.455 -6.664 -8.150 1.00 8.16 C ATOM 278 O LEU A 125 84.845 -6.282 -9.149 1.00 8.46 O ATOM 279 CB LEU A 125 87.683 -6.388 -7.042 1.00 7.36 C ATOM 280 CG LEU A 125 88.819 -5.437 -6.659 1.00 6.97 C ATOM 281 CD1 LEU A 125 88.946 -5.339 -5.147 1.00 6.96 C ATOM 282 CD2 LEU A 125 90.132 -5.898 -7.276 1.00 7.07 C ATOM 0 H LEU A 125 85.925 -5.809 -5.320 1.00 6.81 H new ATOM 0 HA LEU A 125 86.544 -4.832 -7.991 1.00 7.42 H new ATOM 0 HB2 LEU A 125 87.523 -7.088 -6.222 1.00 7.36 H new ATOM 0 HB3 LEU A 125 87.996 -6.975 -7.906 1.00 7.36 H new ATOM 0 HG LEU A 125 88.584 -4.447 -7.049 1.00 6.97 H new ATOM 0 HD11 LEU A 125 89.759 -4.658 -4.893 1.00 6.96 H new ATOM 0 HD12 LEU A 125 88.013 -4.962 -4.727 1.00 6.96 H new ATOM 0 HD13 LEU A 125 89.157 -6.326 -4.735 1.00 6.96 H new ATOM 0 HD21 LEU A 125 90.928 -5.210 -6.993 1.00 7.07 H new ATOM 0 HD22 LEU A 125 90.372 -6.898 -6.916 1.00 7.07 H new ATOM 0 HD23 LEU A 125 90.037 -5.916 -8.362 1.00 7.07 H new ATOM 294 N ARG A 126 85.378 -7.909 -7.685 1.00 8.60 N ATOM 295 CA ARG A 126 84.555 -8.924 -8.335 1.00 9.37 C ATOM 296 C ARG A 126 85.044 -9.195 -9.756 1.00 9.91 C ATOM 297 O ARG A 126 85.748 -10.174 -10.003 1.00 10.39 O ATOM 298 CB ARG A 126 83.088 -8.486 -8.358 1.00 9.55 C ATOM 299 CG ARG A 126 82.330 -8.834 -7.089 1.00 9.90 C ATOM 300 CD ARG A 126 80.829 -8.696 -7.279 1.00 10.24 C ATOM 301 NE ARG A 126 80.095 -8.938 -6.040 1.00 10.60 N ATOM 302 CZ ARG A 126 78.797 -9.225 -5.990 1.00 11.07 C ATOM 303 NH1 ARG A 126 78.085 -9.307 -7.107 1.00 11.25 N ATOM 304 NH2 ARG A 126 78.209 -9.430 -4.819 1.00 11.57 N ATOM 0 H ARG A 126 85.877 -8.239 -6.859 1.00 8.60 H new ATOM 0 HA ARG A 126 84.640 -9.847 -7.761 1.00 9.37 H new ATOM 0 HB2 ARG A 126 83.042 -7.408 -8.515 1.00 9.55 H new ATOM 0 HB3 ARG A 126 82.591 -8.954 -9.208 1.00 9.55 H new ATOM 0 HG2 ARG A 126 82.567 -9.855 -6.791 1.00 9.90 H new ATOM 0 HG3 ARG A 126 82.656 -8.182 -6.279 1.00 9.90 H new ATOM 0 HD2 ARG A 126 80.601 -7.695 -7.646 1.00 10.24 H new ATOM 0 HD3 ARG A 126 80.494 -9.399 -8.042 1.00 10.24 H new ATOM 0 HE ARG A 126 80.608 -8.884 -5.160 1.00 10.60 H new ATOM 0 HH11 ARG A 126 78.533 -9.150 -8.010 1.00 11.25 H new ATOM 0 HH12 ARG A 126 77.090 -9.527 -7.063 1.00 11.25 H new ATOM 0 HH21 ARG A 126 78.752 -9.368 -3.958 1.00 11.57 H new ATOM 0 HH22 ARG A 126 77.214 -9.650 -4.780 1.00 11.57 H new ATOM 318 N GLY A 127 84.668 -8.322 -10.686 1.00 9.94 N ATOM 319 CA GLY A 127 85.079 -8.486 -12.067 1.00 10.50 C ATOM 320 C GLY A 127 86.158 -7.499 -12.468 1.00 10.13 C ATOM 321 O GLY A 127 87.051 -7.828 -13.249 1.00 10.47 O ATOM 0 H GLY A 127 84.086 -7.504 -10.507 1.00 9.94 H new ATOM 0 HA2 GLY A 127 85.445 -9.502 -12.216 1.00 10.50 H new ATOM 0 HA3 GLY A 127 84.214 -8.360 -12.718 1.00 10.50 H new ATOM 325 N GLY A 128 86.077 -6.288 -11.928 1.00 9.48 N ATOM 326 CA GLY A 128 87.059 -5.268 -12.241 1.00 9.18 C ATOM 327 C GLY A 128 88.303 -5.377 -11.374 1.00 8.58 C ATOM 328 O GLY A 128 88.232 -5.165 -10.163 1.00 8.03 O ATOM 0 H GLY A 128 85.347 -5.995 -11.278 1.00 9.48 H new ATOM 0 HA2 GLY A 128 87.342 -5.350 -13.290 1.00 9.18 H new ATOM 0 HA3 GLY A 128 86.611 -4.283 -12.108 1.00 9.18 H new ATOM 332 N PRO A 129 89.465 -5.707 -11.964 1.00 8.71 N ATOM 333 CA PRO A 129 90.720 -5.837 -11.216 1.00 8.20 C ATOM 334 C PRO A 129 91.055 -4.583 -10.418 1.00 7.43 C ATOM 335 O PRO A 129 90.304 -3.608 -10.424 1.00 7.36 O ATOM 336 CB PRO A 129 91.771 -6.062 -12.305 1.00 8.64 C ATOM 337 CG PRO A 129 91.014 -6.605 -13.467 1.00 9.37 C ATOM 338 CD PRO A 129 89.649 -5.978 -13.402 1.00 9.42 C ATOM 0 HA PRO A 129 90.666 -6.641 -10.482 1.00 8.20 H new ATOM 0 HB2 PRO A 129 92.276 -5.132 -12.564 1.00 8.64 H new ATOM 0 HB3 PRO A 129 92.539 -6.761 -11.973 1.00 8.64 H new ATOM 0 HG2 PRO A 129 91.511 -6.360 -14.405 1.00 9.37 H new ATOM 0 HG3 PRO A 129 90.947 -7.692 -13.416 1.00 9.37 H new ATOM 0 HD2 PRO A 129 89.598 -5.063 -13.993 1.00 9.42 H new ATOM 0 HD3 PRO A 129 88.880 -6.648 -13.786 1.00 9.42 H new ATOM 346 N GLY A 130 92.198 -4.615 -9.746 1.00 6.90 N ATOM 347 CA GLY A 130 92.639 -3.484 -8.961 1.00 6.16 C ATOM 348 C GLY A 130 94.146 -3.407 -8.938 1.00 5.90 C ATOM 349 O GLY A 130 94.820 -4.433 -8.941 1.00 6.04 O ATOM 0 H GLY A 130 92.832 -5.414 -9.733 1.00 6.90 H new ATOM 0 HA2 GLY A 130 92.229 -2.564 -9.377 1.00 6.16 H new ATOM 0 HA3 GLY A 130 92.259 -3.571 -7.943 1.00 6.16 H new ATOM 353 N TRP A 131 94.684 -2.199 -8.941 1.00 5.60 N ATOM 354 CA TRP A 131 96.127 -2.026 -8.944 1.00 5.39 C ATOM 355 C TRP A 131 96.609 -1.373 -7.653 1.00 4.56 C ATOM 356 O TRP A 131 96.289 -0.219 -7.368 1.00 4.36 O ATOM 357 CB TRP A 131 96.542 -1.201 -10.158 1.00 5.91 C ATOM 358 CG TRP A 131 96.409 -1.950 -11.448 1.00 6.68 C ATOM 359 CD1 TRP A 131 95.318 -2.650 -11.878 1.00 7.16 C ATOM 360 CD2 TRP A 131 97.401 -2.082 -12.474 1.00 7.11 C ATOM 361 NE1 TRP A 131 95.568 -3.208 -13.108 1.00 7.84 N ATOM 362 CE2 TRP A 131 96.839 -2.874 -13.496 1.00 7.82 C ATOM 363 CE3 TRP A 131 98.705 -1.609 -12.629 1.00 7.01 C ATOM 364 CZ2 TRP A 131 97.540 -3.200 -14.654 1.00 8.39 C ATOM 365 CZ3 TRP A 131 99.400 -1.933 -13.779 1.00 7.59 C ATOM 366 CH2 TRP A 131 98.817 -2.722 -14.779 1.00 8.26 C ATOM 0 H TRP A 131 94.149 -1.331 -8.941 1.00 5.60 H new ATOM 0 HA TRP A 131 96.595 -3.009 -9.005 1.00 5.39 H new ATOM 0 HB2 TRP A 131 95.932 -0.299 -10.203 1.00 5.91 H new ATOM 0 HB3 TRP A 131 97.576 -0.880 -10.036 1.00 5.91 H new ATOM 0 HD1 TRP A 131 94.393 -2.750 -11.330 1.00 7.16 H new ATOM 0 HE1 TRP A 131 94.914 -3.778 -13.645 1.00 7.84 H new ATOM 0 HE3 TRP A 131 99.163 -1.000 -11.863 1.00 7.01 H new ATOM 0 HZ2 TRP A 131 97.092 -3.808 -15.426 1.00 8.39 H new ATOM 0 HZ3 TRP A 131 100.409 -1.572 -13.909 1.00 7.59 H new ATOM 0 HH2 TRP A 131 99.386 -2.958 -15.666 1.00 8.26 H new ATOM 377 N CYS A 132 97.377 -2.131 -6.876 1.00 4.17 N ATOM 378 CA CYS A 132 97.911 -1.650 -5.608 1.00 3.38 C ATOM 379 C CYS A 132 98.690 -0.352 -5.792 1.00 3.29 C ATOM 380 O CYS A 132 99.904 -0.369 -6.003 1.00 3.32 O ATOM 381 CB CYS A 132 98.813 -2.715 -4.986 1.00 3.20 C ATOM 382 SG CYS A 132 99.286 -2.377 -3.263 1.00 2.31 S ATOM 0 H CYS A 132 97.644 -3.088 -7.106 1.00 4.17 H new ATOM 0 HA CYS A 132 97.072 -1.449 -4.942 1.00 3.38 H new ATOM 0 HB2 CYS A 132 98.303 -3.677 -5.029 1.00 3.20 H new ATOM 0 HB3 CYS A 132 99.717 -2.806 -5.588 1.00 3.20 H new ATOM 387 N ASP A 133 97.986 0.773 -5.701 1.00 3.33 N ATOM 388 CA ASP A 133 98.606 2.087 -5.854 1.00 3.56 C ATOM 389 C ASP A 133 99.879 2.192 -5.018 1.00 3.14 C ATOM 390 O ASP A 133 100.809 2.917 -5.368 1.00 3.53 O ATOM 391 CB ASP A 133 97.621 3.187 -5.452 1.00 3.65 C ATOM 392 CG ASP A 133 96.413 3.244 -6.366 1.00 4.03 C ATOM 393 OD1 ASP A 133 96.574 2.992 -7.578 1.00 4.63 O ATOM 394 OD2 ASP A 133 95.305 3.543 -5.870 1.00 3.89 O ATOM 0 H ASP A 133 96.982 0.801 -5.521 1.00 3.33 H new ATOM 0 HA ASP A 133 98.874 2.215 -6.903 1.00 3.56 H new ATOM 0 HB2 ASP A 133 97.290 3.018 -4.427 1.00 3.65 H new ATOM 0 HB3 ASP A 133 98.131 4.150 -5.467 1.00 3.65 H new ATOM 399 N LEU A 134 99.909 1.455 -3.913 1.00 2.45 N ATOM 400 CA LEU A 134 101.063 1.452 -3.022 1.00 2.10 C ATOM 401 C LEU A 134 102.255 0.771 -3.692 1.00 2.27 C ATOM 402 O LEU A 134 103.347 1.336 -3.762 1.00 2.50 O ATOM 403 CB LEU A 134 100.692 0.745 -1.707 1.00 1.47 C ATOM 404 CG LEU A 134 101.832 0.029 -0.974 1.00 1.30 C ATOM 405 CD1 LEU A 134 102.407 0.915 0.120 1.00 1.61 C ATOM 406 CD2 LEU A 134 101.338 -1.286 -0.392 1.00 1.35 C ATOM 0 H LEU A 134 99.145 0.850 -3.612 1.00 2.45 H new ATOM 0 HA LEU A 134 101.350 2.480 -2.800 1.00 2.10 H new ATOM 0 HB2 LEU A 134 100.262 1.484 -1.031 1.00 1.47 H new ATOM 0 HB3 LEU A 134 99.911 0.015 -1.920 1.00 1.47 H new ATOM 0 HG LEU A 134 102.625 -0.183 -1.691 1.00 1.30 H new ATOM 0 HD11 LEU A 134 103.215 0.388 0.628 1.00 1.61 H new ATOM 0 HD12 LEU A 134 102.794 1.833 -0.321 1.00 1.61 H new ATOM 0 HD13 LEU A 134 101.625 1.160 0.839 1.00 1.61 H new ATOM 0 HD21 LEU A 134 102.157 -1.785 0.126 1.00 1.35 H new ATOM 0 HD22 LEU A 134 100.529 -1.091 0.312 1.00 1.35 H new ATOM 0 HD23 LEU A 134 100.974 -1.926 -1.196 1.00 1.35 H new ATOM 418 N CYS A 135 102.038 -0.446 -4.178 1.00 2.35 N ATOM 419 CA CYS A 135 103.092 -1.209 -4.837 1.00 2.66 C ATOM 420 C CYS A 135 103.065 -0.987 -6.347 1.00 3.37 C ATOM 421 O CYS A 135 103.979 -0.387 -6.913 1.00 3.63 O ATOM 422 CB CYS A 135 102.943 -2.703 -4.530 1.00 2.75 C ATOM 423 SG CYS A 135 102.528 -3.074 -2.793 1.00 2.27 S ATOM 0 H CYS A 135 101.140 -0.926 -4.128 1.00 2.35 H new ATOM 0 HA CYS A 135 104.050 -0.859 -4.452 1.00 2.66 H new ATOM 0 HB2 CYS A 135 102.168 -3.119 -5.173 1.00 2.75 H new ATOM 0 HB3 CYS A 135 103.874 -3.209 -4.785 1.00 2.75 H new ATOM 428 N GLY A 136 102.012 -1.477 -6.994 1.00 3.77 N ATOM 429 CA GLY A 136 101.886 -1.324 -8.431 1.00 4.51 C ATOM 430 C GLY A 136 101.369 -2.578 -9.111 1.00 5.01 C ATOM 431 O GLY A 136 100.952 -2.535 -10.269 1.00 5.65 O ATOM 0 H GLY A 136 101.243 -1.978 -6.548 1.00 3.77 H new ATOM 0 HA2 GLY A 136 101.212 -0.495 -8.646 1.00 4.51 H new ATOM 0 HA3 GLY A 136 102.857 -1.062 -8.851 1.00 4.51 H new ATOM 435 N ARG A 137 101.395 -3.698 -8.395 1.00 4.84 N ATOM 436 CA ARG A 137 100.924 -4.965 -8.940 1.00 5.43 C ATOM 437 C ARG A 137 99.401 -5.025 -8.941 1.00 5.63 C ATOM 438 O ARG A 137 98.730 -4.044 -8.620 1.00 5.30 O ATOM 439 CB ARG A 137 101.492 -6.133 -8.132 1.00 5.35 C ATOM 440 CG ARG A 137 103.009 -6.125 -8.035 1.00 5.18 C ATOM 441 CD ARG A 137 103.481 -5.705 -6.652 1.00 5.55 C ATOM 442 NE ARG A 137 103.208 -6.731 -5.647 1.00 5.46 N ATOM 443 CZ ARG A 137 103.847 -7.897 -5.588 1.00 5.99 C ATOM 444 NH1 ARG A 137 104.789 -8.192 -6.474 1.00 6.61 N ATOM 445 NH2 ARG A 137 103.541 -8.772 -4.638 1.00 6.15 N ATOM 0 H ARG A 137 101.738 -3.753 -7.436 1.00 4.84 H new ATOM 0 HA ARG A 137 101.272 -5.041 -9.970 1.00 5.43 H new ATOM 0 HB2 ARG A 137 101.072 -6.107 -7.127 1.00 5.35 H new ATOM 0 HB3 ARG A 137 101.170 -7.070 -8.588 1.00 5.35 H new ATOM 0 HG2 ARG A 137 103.394 -7.119 -8.265 1.00 5.18 H new ATOM 0 HG3 ARG A 137 103.418 -5.444 -8.782 1.00 5.18 H new ATOM 0 HD2 ARG A 137 104.551 -5.501 -6.680 1.00 5.55 H new ATOM 0 HD3 ARG A 137 102.987 -4.777 -6.366 1.00 5.55 H new ATOM 0 HE ARG A 137 102.486 -6.542 -4.951 1.00 5.46 H new ATOM 0 HH11 ARG A 137 105.028 -7.523 -7.206 1.00 6.61 H new ATOM 0 HH12 ARG A 137 105.275 -9.087 -6.423 1.00 6.61 H new ATOM 0 HH21 ARG A 137 102.817 -8.550 -3.955 1.00 6.15 H new ATOM 0 HH22 ARG A 137 104.030 -9.666 -4.591 1.00 6.15 H new ATOM 459 N GLU A 138 98.859 -6.184 -9.303 1.00 6.20 N ATOM 460 CA GLU A 138 97.414 -6.372 -9.346 1.00 6.47 C ATOM 461 C GLU A 138 96.891 -6.880 -8.006 1.00 6.14 C ATOM 462 O GLU A 138 97.435 -7.824 -7.433 1.00 6.19 O ATOM 463 CB GLU A 138 97.040 -7.352 -10.459 1.00 7.34 C ATOM 464 CG GLU A 138 97.203 -6.778 -11.856 1.00 8.03 C ATOM 465 CD GLU A 138 98.432 -7.311 -12.567 1.00 8.64 C ATOM 466 OE1 GLU A 138 99.485 -7.446 -11.910 1.00 9.02 O ATOM 467 OE2 GLU A 138 98.340 -7.593 -13.781 1.00 8.93 O ATOM 0 H GLU A 138 99.399 -7.007 -9.571 1.00 6.20 H new ATOM 0 HA GLU A 138 96.952 -5.406 -9.552 1.00 6.47 H new ATOM 0 HB2 GLU A 138 97.658 -8.245 -10.368 1.00 7.34 H new ATOM 0 HB3 GLU A 138 96.005 -7.666 -10.323 1.00 7.34 H new ATOM 0 HG2 GLU A 138 96.317 -7.011 -12.446 1.00 8.03 H new ATOM 0 HG3 GLU A 138 97.267 -5.692 -11.793 1.00 8.03 H new ATOM 474 N VAL A 139 95.834 -6.245 -7.511 1.00 5.87 N ATOM 475 CA VAL A 139 95.236 -6.629 -6.239 1.00 5.60 C ATOM 476 C VAL A 139 94.088 -7.614 -6.444 1.00 6.26 C ATOM 477 O VAL A 139 93.023 -7.251 -6.944 1.00 6.56 O ATOM 478 CB VAL A 139 94.727 -5.396 -5.463 1.00 4.89 C ATOM 479 CG1 VAL A 139 95.867 -4.421 -5.199 1.00 4.29 C ATOM 480 CG2 VAL A 139 93.593 -4.712 -6.217 1.00 5.14 C ATOM 0 H VAL A 139 95.374 -5.461 -7.973 1.00 5.87 H new ATOM 0 HA VAL A 139 96.016 -7.114 -5.653 1.00 5.60 H new ATOM 0 HB VAL A 139 94.338 -5.734 -4.503 1.00 4.89 H new ATOM 0 HG11 VAL A 139 95.488 -3.558 -4.651 1.00 4.29 H new ATOM 0 HG12 VAL A 139 96.639 -4.915 -4.609 1.00 4.29 H new ATOM 0 HG13 VAL A 139 96.290 -4.091 -6.148 1.00 4.29 H new ATOM 0 HG21 VAL A 139 93.250 -3.846 -5.651 1.00 5.14 H new ATOM 0 HG22 VAL A 139 93.949 -4.389 -7.195 1.00 5.14 H new ATOM 0 HG23 VAL A 139 92.767 -5.412 -6.345 1.00 5.14 H new ATOM 490 N LEU A 140 94.316 -8.866 -6.061 1.00 6.55 N ATOM 491 CA LEU A 140 93.304 -9.907 -6.204 1.00 7.22 C ATOM 492 C LEU A 140 92.225 -9.773 -5.133 1.00 6.99 C ATOM 493 O LEU A 140 91.036 -9.705 -5.442 1.00 7.24 O ATOM 494 CB LEU A 140 93.952 -11.290 -6.122 1.00 7.76 C ATOM 495 CG LEU A 140 95.111 -11.521 -7.095 1.00 8.26 C ATOM 496 CD1 LEU A 140 96.366 -11.944 -6.346 1.00 8.62 C ATOM 497 CD2 LEU A 140 94.735 -12.564 -8.138 1.00 8.78 C ATOM 0 H LEU A 140 95.193 -9.185 -5.649 1.00 6.55 H new ATOM 0 HA LEU A 140 92.834 -9.789 -7.181 1.00 7.22 H new ATOM 0 HB2 LEU A 140 94.314 -11.445 -5.106 1.00 7.76 H new ATOM 0 HB3 LEU A 140 93.187 -12.044 -6.306 1.00 7.76 H new ATOM 0 HG LEU A 140 95.318 -10.581 -7.607 1.00 8.26 H new ATOM 0 HD11 LEU A 140 97.177 -12.103 -7.056 1.00 8.62 H new ATOM 0 HD12 LEU A 140 96.649 -11.163 -5.640 1.00 8.62 H new ATOM 0 HD13 LEU A 140 96.172 -12.870 -5.804 1.00 8.62 H new ATOM 0 HD21 LEU A 140 95.572 -12.714 -8.820 1.00 8.78 H new ATOM 0 HD22 LEU A 140 94.498 -13.505 -7.642 1.00 8.78 H new ATOM 0 HD23 LEU A 140 93.866 -12.220 -8.699 1.00 8.78 H new ATOM 509 N ARG A 141 92.649 -9.735 -3.876 1.00 6.56 N ATOM 510 CA ARG A 141 91.720 -9.611 -2.759 1.00 6.36 C ATOM 511 C ARG A 141 91.057 -8.239 -2.751 1.00 5.74 C ATOM 512 O ARG A 141 91.320 -7.406 -3.618 1.00 5.48 O ATOM 513 CB ARG A 141 92.448 -9.846 -1.435 1.00 6.20 C ATOM 514 CG ARG A 141 92.984 -11.260 -1.277 1.00 6.87 C ATOM 515 CD ARG A 141 92.790 -11.776 0.140 1.00 7.11 C ATOM 516 NE ARG A 141 93.426 -13.075 0.341 1.00 7.57 N ATOM 517 CZ ARG A 141 92.922 -14.224 -0.104 1.00 8.00 C ATOM 518 NH1 ARG A 141 91.778 -14.239 -0.777 1.00 8.08 N ATOM 519 NH2 ARG A 141 93.565 -15.362 0.123 1.00 8.60 N ATOM 0 H ARG A 141 93.631 -9.788 -3.604 1.00 6.56 H new ATOM 0 HA ARG A 141 90.945 -10.368 -2.879 1.00 6.36 H new ATOM 0 HB2 ARG A 141 93.276 -9.142 -1.355 1.00 6.20 H new ATOM 0 HB3 ARG A 141 91.766 -9.631 -0.612 1.00 6.20 H new ATOM 0 HG2 ARG A 141 92.477 -11.922 -1.979 1.00 6.87 H new ATOM 0 HG3 ARG A 141 94.044 -11.278 -1.530 1.00 6.87 H new ATOM 0 HD2 ARG A 141 93.203 -11.057 0.847 1.00 7.11 H new ATOM 0 HD3 ARG A 141 91.724 -11.857 0.354 1.00 7.11 H new ATOM 0 HE ARG A 141 94.308 -13.104 0.852 1.00 7.57 H new ATOM 0 HH11 ARG A 141 91.280 -13.367 -0.956 1.00 8.08 H new ATOM 0 HH12 ARG A 141 91.397 -15.123 -1.115 1.00 8.08 H new ATOM 0 HH21 ARG A 141 94.445 -15.356 0.638 1.00 8.60 H new ATOM 0 HH22 ARG A 141 93.179 -16.243 -0.218 1.00 8.60 H new ATOM 533 N GLN A 142 90.195 -8.010 -1.767 1.00 5.55 N ATOM 534 CA GLN A 142 89.494 -6.738 -1.643 1.00 4.97 C ATOM 535 C GLN A 142 90.454 -5.632 -1.217 1.00 4.20 C ATOM 536 O GLN A 142 90.784 -5.501 -0.039 1.00 3.88 O ATOM 537 CB GLN A 142 88.351 -6.857 -0.634 1.00 4.98 C ATOM 538 CG GLN A 142 86.986 -7.047 -1.279 1.00 5.49 C ATOM 539 CD GLN A 142 86.248 -8.256 -0.740 1.00 6.00 C ATOM 540 OE1 GLN A 142 85.562 -8.176 0.279 1.00 6.30 O ATOM 541 NE2 GLN A 142 86.385 -9.387 -1.422 1.00 6.42 N ATOM 0 H GLN A 142 89.965 -8.690 -1.042 1.00 5.55 H new ATOM 0 HA GLN A 142 89.080 -6.481 -2.618 1.00 4.97 H new ATOM 0 HB2 GLN A 142 88.550 -7.698 0.030 1.00 4.98 H new ATOM 0 HB3 GLN A 142 88.329 -5.960 -0.015 1.00 4.98 H new ATOM 0 HG2 GLN A 142 86.383 -6.154 -1.113 1.00 5.49 H new ATOM 0 HG3 GLN A 142 87.109 -7.152 -2.357 1.00 5.49 H new ATOM 0 HE21 GLN A 142 86.963 -9.409 -2.262 1.00 6.42 H new ATOM 0 HE22 GLN A 142 85.912 -10.234 -1.106 1.00 6.42 H new ATOM 550 N ALA A 143 90.900 -4.840 -2.186 1.00 4.01 N ATOM 551 CA ALA A 143 91.824 -3.747 -1.914 1.00 3.31 C ATOM 552 C ALA A 143 91.166 -2.676 -1.052 1.00 2.66 C ATOM 553 O ALA A 143 89.974 -2.400 -1.187 1.00 2.78 O ATOM 554 CB ALA A 143 92.325 -3.146 -3.217 1.00 3.47 C ATOM 0 H ALA A 143 90.636 -4.935 -3.167 1.00 4.01 H new ATOM 0 HA ALA A 143 92.674 -4.148 -1.362 1.00 3.31 H new ATOM 0 HB1 ALA A 143 93.015 -2.330 -3.000 1.00 3.47 H new ATOM 0 HB2 ALA A 143 92.840 -3.912 -3.797 1.00 3.47 H new ATOM 0 HB3 ALA A 143 91.480 -2.764 -3.790 1.00 3.47 H new ATOM 560 N LEU A 144 91.952 -2.074 -0.165 1.00 2.03 N ATOM 561 CA LEU A 144 91.448 -1.032 0.719 1.00 1.43 C ATOM 562 C LEU A 144 91.832 0.348 0.195 1.00 1.04 C ATOM 563 O LEU A 144 93.014 0.652 0.030 1.00 0.81 O ATOM 564 CB LEU A 144 91.991 -1.231 2.134 1.00 1.45 C ATOM 565 CG LEU A 144 91.200 -2.221 2.992 1.00 2.18 C ATOM 566 CD1 LEU A 144 92.025 -2.668 4.188 1.00 2.76 C ATOM 567 CD2 LEU A 144 89.887 -1.603 3.447 1.00 2.25 C ATOM 0 H LEU A 144 92.941 -2.291 -0.040 1.00 2.03 H new ATOM 0 HA LEU A 144 90.360 -1.099 0.747 1.00 1.43 H new ATOM 0 HB2 LEU A 144 93.023 -1.574 2.067 1.00 1.45 H new ATOM 0 HB3 LEU A 144 92.008 -0.266 2.640 1.00 1.45 H new ATOM 0 HG LEU A 144 90.973 -3.098 2.385 1.00 2.18 H new ATOM 0 HD11 LEU A 144 91.446 -3.372 4.787 1.00 2.76 H new ATOM 0 HD12 LEU A 144 92.937 -3.152 3.840 1.00 2.76 H new ATOM 0 HD13 LEU A 144 92.283 -1.801 4.796 1.00 2.76 H new ATOM 0 HD21 LEU A 144 89.338 -2.322 4.056 1.00 2.25 H new ATOM 0 HD22 LEU A 144 90.091 -0.709 4.036 1.00 2.25 H new ATOM 0 HD23 LEU A 144 89.290 -1.335 2.576 1.00 2.25 H new ATOM 579 N ARG A 145 90.827 1.173 -0.081 1.00 1.33 N ATOM 580 CA ARG A 145 91.059 2.513 -0.607 1.00 1.75 C ATOM 581 C ARG A 145 90.857 3.581 0.459 1.00 1.84 C ATOM 582 O ARG A 145 89.725 3.958 0.766 1.00 2.07 O ATOM 583 CB ARG A 145 90.127 2.786 -1.788 1.00 2.50 C ATOM 584 CG ARG A 145 90.510 4.016 -2.594 1.00 3.14 C ATOM 585 CD ARG A 145 89.441 4.367 -3.618 1.00 3.82 C ATOM 586 NE ARG A 145 89.620 3.635 -4.868 1.00 4.39 N ATOM 587 CZ ARG A 145 90.620 3.851 -5.719 1.00 4.96 C ATOM 588 NH1 ARG A 145 91.535 4.777 -5.457 1.00 5.14 N ATOM 589 NH2 ARG A 145 90.707 3.142 -6.836 1.00 5.67 N ATOM 0 H ARG A 145 89.844 0.937 0.051 1.00 1.33 H new ATOM 0 HA ARG A 145 92.096 2.558 -0.939 1.00 1.75 H new ATOM 0 HB2 ARG A 145 90.124 1.917 -2.446 1.00 2.50 H new ATOM 0 HB3 ARG A 145 89.110 2.908 -1.416 1.00 2.50 H new ATOM 0 HG2 ARG A 145 90.662 4.860 -1.921 1.00 3.14 H new ATOM 0 HG3 ARG A 145 91.458 3.839 -3.102 1.00 3.14 H new ATOM 0 HD2 ARG A 145 88.457 4.145 -3.205 1.00 3.82 H new ATOM 0 HD3 ARG A 145 89.468 5.438 -3.818 1.00 3.82 H new ATOM 0 HE ARG A 145 88.937 2.914 -5.103 1.00 4.39 H new ATOM 0 HH11 ARG A 145 91.473 5.327 -4.600 1.00 5.14 H new ATOM 0 HH12 ARG A 145 92.299 4.938 -6.113 1.00 5.14 H new ATOM 0 HH21 ARG A 145 90.007 2.430 -7.044 1.00 5.67 H new ATOM 0 HH22 ARG A 145 91.474 3.309 -7.487 1.00 5.67 H new ATOM 603 N CYS A 146 91.958 4.079 1.008 1.00 1.92 N ATOM 604 CA CYS A 146 91.891 5.118 2.023 1.00 2.46 C ATOM 605 C CYS A 146 91.712 6.478 1.360 1.00 3.20 C ATOM 606 O CYS A 146 92.668 7.237 1.201 1.00 3.63 O ATOM 607 CB CYS A 146 93.157 5.101 2.888 1.00 2.60 C ATOM 608 SG CYS A 146 93.371 6.567 3.954 1.00 3.57 S ATOM 0 H CYS A 146 92.903 3.781 0.768 1.00 1.92 H new ATOM 0 HA CYS A 146 91.034 4.928 2.670 1.00 2.46 H new ATOM 0 HB2 CYS A 146 93.139 4.211 3.517 1.00 2.60 H new ATOM 0 HB3 CYS A 146 94.026 5.013 2.235 1.00 2.60 H new ATOM 613 N ALA A 147 90.476 6.775 0.971 1.00 3.42 N ATOM 614 CA ALA A 147 90.158 8.040 0.317 1.00 4.19 C ATOM 615 C ALA A 147 90.487 9.240 1.203 1.00 4.75 C ATOM 616 O ALA A 147 90.421 10.385 0.755 1.00 5.41 O ATOM 617 CB ALA A 147 88.691 8.067 -0.084 1.00 4.35 C ATOM 0 H ALA A 147 89.676 6.155 1.098 1.00 3.42 H new ATOM 0 HA ALA A 147 90.778 8.114 -0.576 1.00 4.19 H new ATOM 0 HB1 ALA A 147 88.464 9.015 -0.571 1.00 4.35 H new ATOM 0 HB2 ALA A 147 88.487 7.247 -0.773 1.00 4.35 H new ATOM 0 HB3 ALA A 147 88.069 7.958 0.804 1.00 4.35 H new ATOM 623 N ASN A 148 90.843 8.981 2.459 1.00 4.58 N ATOM 624 CA ASN A 148 91.179 10.050 3.388 1.00 5.23 C ATOM 625 C ASN A 148 92.485 10.736 2.990 1.00 5.62 C ATOM 626 O ASN A 148 92.698 11.905 3.311 1.00 6.29 O ATOM 627 CB ASN A 148 91.285 9.504 4.814 1.00 5.11 C ATOM 628 CG ASN A 148 90.322 10.185 5.767 1.00 5.34 C ATOM 629 OD1 ASN A 148 90.065 11.384 5.659 1.00 5.63 O ATOM 630 ND2 ASN A 148 89.785 9.420 6.711 1.00 5.41 N ATOM 0 H ASN A 148 90.905 8.042 2.853 1.00 4.58 H new ATOM 0 HA ASN A 148 90.380 10.790 3.350 1.00 5.23 H new ATOM 0 HB2 ASN A 148 91.086 8.432 4.805 1.00 5.11 H new ATOM 0 HB3 ASN A 148 92.305 9.636 5.176 1.00 5.11 H new ATOM 0 HD21 ASN A 148 89.131 9.822 7.383 1.00 5.41 H new ATOM 0 HD22 ASN A 148 90.026 8.430 6.764 1.00 5.41 H new ATOM 637 N CYS A 149 93.358 10.014 2.290 1.00 5.21 N ATOM 638 CA CYS A 149 94.631 10.585 1.863 1.00 5.54 C ATOM 639 C CYS A 149 95.424 9.606 1.005 1.00 5.02 C ATOM 640 O CYS A 149 95.934 9.967 -0.055 1.00 5.26 O ATOM 641 CB CYS A 149 95.461 10.996 3.082 1.00 5.86 C ATOM 642 SG CYS A 149 95.487 9.756 4.417 1.00 5.35 S ATOM 0 H CYS A 149 93.209 9.045 2.010 1.00 5.21 H new ATOM 0 HA CYS A 149 94.413 11.465 1.258 1.00 5.54 H new ATOM 0 HB2 CYS A 149 96.485 11.191 2.762 1.00 5.86 H new ATOM 0 HB3 CYS A 149 95.067 11.932 3.478 1.00 5.86 H new ATOM 647 N LYS A 150 95.531 8.367 1.471 1.00 4.33 N ATOM 648 CA LYS A 150 96.272 7.342 0.746 1.00 3.79 C ATOM 649 C LYS A 150 95.527 6.927 -0.528 1.00 3.60 C ATOM 650 O LYS A 150 94.911 7.760 -1.191 1.00 4.14 O ATOM 651 CB LYS A 150 96.529 6.131 1.650 1.00 3.18 C ATOM 652 CG LYS A 150 96.837 6.494 3.095 1.00 3.63 C ATOM 653 CD LYS A 150 98.153 5.888 3.555 1.00 3.46 C ATOM 654 CE LYS A 150 99.340 6.525 2.849 1.00 3.65 C ATOM 655 NZ LYS A 150 100.072 5.546 1.997 1.00 3.87 N ATOM 0 H LYS A 150 95.115 8.048 2.346 1.00 4.33 H new ATOM 0 HA LYS A 150 97.234 7.758 0.448 1.00 3.79 H new ATOM 0 HB2 LYS A 150 95.654 5.481 1.628 1.00 3.18 H new ATOM 0 HB3 LYS A 150 97.362 5.558 1.244 1.00 3.18 H new ATOM 0 HG2 LYS A 150 96.879 7.578 3.197 1.00 3.63 H new ATOM 0 HG3 LYS A 150 96.030 6.144 3.739 1.00 3.63 H new ATOM 0 HD2 LYS A 150 98.257 6.018 4.632 1.00 3.46 H new ATOM 0 HD3 LYS A 150 98.147 4.815 3.362 1.00 3.46 H new ATOM 0 HE2 LYS A 150 98.993 7.354 2.233 1.00 3.65 H new ATOM 0 HE3 LYS A 150 100.022 6.942 3.590 1.00 3.65 H new ATOM 0 HZ1 LYS A 150 100.356 6.004 1.108 1.00 3.87 H new ATOM 0 HZ2 LYS A 150 100.919 5.213 2.500 1.00 3.87 H new ATOM 0 HZ3 LYS A 150 99.453 4.737 1.788 1.00 3.87 H new ATOM 669 N PHE A 151 95.596 5.641 -0.871 1.00 2.95 N ATOM 670 CA PHE A 151 94.938 5.128 -2.069 1.00 2.98 C ATOM 671 C PHE A 151 94.512 3.672 -1.874 1.00 2.28 C ATOM 672 O PHE A 151 94.510 3.166 -0.752 1.00 1.66 O ATOM 673 CB PHE A 151 95.872 5.250 -3.276 1.00 3.44 C ATOM 674 CG PHE A 151 97.330 5.101 -2.938 1.00 3.26 C ATOM 675 CD1 PHE A 151 97.751 4.143 -2.029 1.00 3.36 C ATOM 676 CD2 PHE A 151 98.280 5.919 -3.530 1.00 3.47 C ATOM 677 CE1 PHE A 151 99.090 4.004 -1.717 1.00 3.26 C ATOM 678 CE2 PHE A 151 99.620 5.784 -3.222 1.00 3.41 C ATOM 679 CZ PHE A 151 100.025 4.825 -2.312 1.00 3.10 C ATOM 0 H PHE A 151 96.102 4.936 -0.335 1.00 2.95 H new ATOM 0 HA PHE A 151 94.044 5.724 -2.252 1.00 2.98 H new ATOM 0 HB2 PHE A 151 95.600 4.492 -4.011 1.00 3.44 H new ATOM 0 HB3 PHE A 151 95.716 6.221 -3.747 1.00 3.44 H new ATOM 0 HD1 PHE A 151 97.024 3.497 -1.559 1.00 3.36 H new ATOM 0 HD2 PHE A 151 97.969 6.671 -4.240 1.00 3.47 H new ATOM 0 HE1 PHE A 151 99.404 3.253 -1.008 1.00 3.26 H new ATOM 0 HE2 PHE A 151 100.350 6.427 -3.691 1.00 3.41 H new ATOM 0 HZ PHE A 151 101.072 4.719 -2.068 1.00 3.10 H new ATOM 689 N THR A 152 94.145 2.999 -2.968 1.00 2.56 N ATOM 690 CA THR A 152 93.716 1.604 -2.892 1.00 2.30 C ATOM 691 C THR A 152 94.913 0.661 -2.822 1.00 2.04 C ATOM 692 O THR A 152 95.536 0.346 -3.835 1.00 2.50 O ATOM 693 CB THR A 152 92.838 1.246 -4.093 1.00 3.04 C ATOM 694 OG1 THR A 152 92.542 -0.138 -4.102 1.00 3.69 O ATOM 695 CG2 THR A 152 93.471 1.588 -5.423 1.00 3.48 C ATOM 0 H THR A 152 94.137 3.395 -3.908 1.00 2.56 H new ATOM 0 HA THR A 152 93.133 1.486 -1.978 1.00 2.30 H new ATOM 0 HB THR A 152 91.934 1.844 -3.976 1.00 3.04 H new ATOM 0 HG1 THR A 152 91.979 -0.347 -4.876 1.00 3.69 H new ATOM 0 HG21 THR A 152 92.795 1.308 -6.231 1.00 3.48 H new ATOM 0 HG22 THR A 152 93.666 2.659 -5.468 1.00 3.48 H new ATOM 0 HG23 THR A 152 94.409 1.044 -5.530 1.00 3.48 H new ATOM 703 N CYS A 153 95.227 0.219 -1.611 1.00 1.38 N ATOM 704 CA CYS A 153 96.350 -0.684 -1.389 1.00 1.29 C ATOM 705 C CYS A 153 95.873 -2.122 -1.212 1.00 1.85 C ATOM 706 O CYS A 153 94.678 -2.379 -1.073 1.00 2.08 O ATOM 707 CB CYS A 153 97.135 -0.247 -0.149 1.00 0.64 C ATOM 708 SG CYS A 153 96.202 -0.362 1.396 1.00 1.36 S ATOM 0 H CYS A 153 94.718 0.472 -0.764 1.00 1.38 H new ATOM 0 HA CYS A 153 96.996 -0.641 -2.266 1.00 1.29 H new ATOM 0 HB2 CYS A 153 98.032 -0.861 -0.065 1.00 0.64 H new ATOM 0 HB3 CYS A 153 97.465 0.783 -0.286 1.00 0.64 H new ATOM 0 HG CYS A 153 94.963 -0.033 1.180 1.00 1.36 H new ATOM 714 N HIS A 154 96.820 -3.055 -1.204 1.00 2.20 N ATOM 715 CA HIS A 154 96.501 -4.467 -1.029 1.00 2.94 C ATOM 716 C HIS A 154 95.876 -4.698 0.343 1.00 3.04 C ATOM 717 O HIS A 154 96.264 -4.063 1.324 1.00 2.70 O ATOM 718 CB HIS A 154 97.761 -5.324 -1.171 1.00 3.32 C ATOM 719 CG HIS A 154 98.092 -5.697 -2.582 1.00 3.70 C ATOM 720 ND1 HIS A 154 99.305 -5.373 -3.138 1.00 3.54 N ATOM 721 CD2 HIS A 154 97.350 -6.367 -3.496 1.00 4.36 C ATOM 722 CE1 HIS A 154 99.278 -5.850 -4.368 1.00 4.13 C ATOM 723 NE2 HIS A 154 98.112 -6.461 -4.633 1.00 4.64 N ATOM 0 H HIS A 154 97.814 -2.858 -1.317 1.00 2.20 H new ATOM 0 HA HIS A 154 95.789 -4.756 -1.802 1.00 2.94 H new ATOM 0 HB2 HIS A 154 98.605 -4.784 -0.742 1.00 3.32 H new ATOM 0 HB3 HIS A 154 97.635 -6.235 -0.586 1.00 3.32 H new ATOM 0 HD2 HIS A 154 96.351 -6.753 -3.357 1.00 4.36 H new ATOM 0 HE1 HIS A 154 100.091 -5.760 -5.073 1.00 4.13 H new ATOM 0 HE2 HIS A 154 97.845 -6.908 -5.510 1.00 4.64 H new ATOM 731 N SER A 155 94.909 -5.606 0.408 1.00 3.67 N ATOM 732 CA SER A 155 94.235 -5.915 1.665 1.00 3.98 C ATOM 733 C SER A 155 95.244 -6.148 2.788 1.00 4.20 C ATOM 734 O SER A 155 95.207 -5.477 3.820 1.00 4.08 O ATOM 735 CB SER A 155 93.347 -7.150 1.498 1.00 4.76 C ATOM 736 OG SER A 155 94.077 -8.233 0.950 1.00 5.02 O ATOM 0 H SER A 155 94.574 -6.141 -0.393 1.00 3.67 H new ATOM 0 HA SER A 155 93.615 -5.060 1.934 1.00 3.98 H new ATOM 0 HB2 SER A 155 92.934 -7.438 2.465 1.00 4.76 H new ATOM 0 HB3 SER A 155 92.504 -6.911 0.850 1.00 4.76 H new ATOM 0 HG SER A 155 93.933 -9.034 1.496 1.00 5.02 H new ATOM 742 N GLU A 156 96.142 -7.105 2.580 1.00 4.69 N ATOM 743 CA GLU A 156 97.159 -7.431 3.573 1.00 5.06 C ATOM 744 C GLU A 156 98.137 -6.275 3.772 1.00 4.46 C ATOM 745 O GLU A 156 98.710 -6.118 4.850 1.00 4.76 O ATOM 746 CB GLU A 156 97.922 -8.689 3.154 1.00 5.69 C ATOM 747 CG GLU A 156 98.557 -8.586 1.776 1.00 6.28 C ATOM 748 CD GLU A 156 98.513 -9.896 1.014 1.00 6.92 C ATOM 749 OE1 GLU A 156 99.435 -10.720 1.196 1.00 7.29 O ATOM 750 OE2 GLU A 156 97.555 -10.100 0.238 1.00 7.31 O ATOM 0 H GLU A 156 96.186 -7.669 1.731 1.00 4.69 H new ATOM 0 HA GLU A 156 96.651 -7.613 4.520 1.00 5.06 H new ATOM 0 HB2 GLU A 156 98.700 -8.893 3.889 1.00 5.69 H new ATOM 0 HB3 GLU A 156 97.240 -9.539 3.168 1.00 5.69 H new ATOM 0 HG2 GLU A 156 98.042 -7.817 1.200 1.00 6.28 H new ATOM 0 HG3 GLU A 156 99.594 -8.266 1.881 1.00 6.28 H new ATOM 757 N CYS A 157 98.326 -5.470 2.731 1.00 3.72 N ATOM 758 CA CYS A 157 99.240 -4.333 2.805 1.00 3.15 C ATOM 759 C CYS A 157 98.752 -3.300 3.815 1.00 3.01 C ATOM 760 O CYS A 157 99.548 -2.554 4.387 1.00 3.02 O ATOM 761 CB CYS A 157 99.402 -3.683 1.430 1.00 2.51 C ATOM 762 SG CYS A 157 100.839 -4.291 0.486 1.00 2.62 S ATOM 0 H CYS A 157 97.861 -5.582 1.830 1.00 3.72 H new ATOM 0 HA CYS A 157 100.209 -4.707 3.136 1.00 3.15 H new ATOM 0 HB2 CYS A 157 98.497 -3.858 0.848 1.00 2.51 H new ATOM 0 HB3 CYS A 157 99.494 -2.605 1.558 1.00 2.51 H new ATOM 767 N ARG A 158 97.441 -3.257 4.033 1.00 3.04 N ATOM 768 CA ARG A 158 96.857 -2.310 4.976 1.00 3.06 C ATOM 769 C ARG A 158 97.432 -2.510 6.375 1.00 3.76 C ATOM 770 O ARG A 158 97.802 -1.550 7.050 1.00 3.88 O ATOM 771 CB ARG A 158 95.337 -2.462 5.009 1.00 3.18 C ATOM 772 CG ARG A 158 94.598 -1.146 5.200 1.00 3.57 C ATOM 773 CD ARG A 158 93.868 -1.100 6.532 1.00 4.14 C ATOM 774 NE ARG A 158 94.772 -0.813 7.642 1.00 4.64 N ATOM 775 CZ ARG A 158 94.371 -0.368 8.831 1.00 5.27 C ATOM 776 NH1 ARG A 158 93.082 -0.157 9.068 1.00 5.53 N ATOM 777 NH2 ARG A 158 95.261 -0.132 9.785 1.00 5.95 N ATOM 0 H ARG A 158 96.765 -3.865 3.571 1.00 3.04 H new ATOM 0 HA ARG A 158 97.106 -1.303 4.642 1.00 3.06 H new ATOM 0 HB2 ARG A 158 95.006 -2.923 4.079 1.00 3.18 H new ATOM 0 HB3 ARG A 158 95.066 -3.142 5.816 1.00 3.18 H new ATOM 0 HG2 ARG A 158 95.306 -0.319 5.144 1.00 3.57 H new ATOM 0 HG3 ARG A 158 93.883 -1.009 4.388 1.00 3.57 H new ATOM 0 HD2 ARG A 158 93.089 -0.338 6.492 1.00 4.14 H new ATOM 0 HD3 ARG A 158 93.372 -2.055 6.706 1.00 4.14 H new ATOM 0 HE ARG A 158 95.771 -0.962 7.498 1.00 4.64 H new ATOM 0 HH11 ARG A 158 92.393 -0.336 8.337 1.00 5.53 H new ATOM 0 HH12 ARG A 158 92.780 0.184 9.981 1.00 5.53 H new ATOM 0 HH21 ARG A 158 96.253 -0.291 9.608 1.00 5.95 H new ATOM 0 HH22 ARG A 158 94.954 0.209 10.696 1.00 5.95 H new ATOM 791 N SER A 159 97.503 -3.764 6.805 1.00 4.35 N ATOM 792 CA SER A 159 98.031 -4.090 8.124 1.00 5.07 C ATOM 793 C SER A 159 99.539 -3.853 8.195 1.00 5.04 C ATOM 794 O SER A 159 100.109 -3.768 9.282 1.00 5.56 O ATOM 795 CB SER A 159 97.713 -5.547 8.474 1.00 5.71 C ATOM 796 OG SER A 159 96.886 -5.626 9.623 1.00 6.02 O ATOM 0 H SER A 159 97.202 -4.572 6.260 1.00 4.35 H new ATOM 0 HA SER A 159 97.551 -3.432 8.848 1.00 5.07 H new ATOM 0 HB2 SER A 159 97.216 -6.027 7.631 1.00 5.71 H new ATOM 0 HB3 SER A 159 98.640 -6.093 8.651 1.00 5.71 H new ATOM 0 HG SER A 159 96.696 -6.566 9.825 1.00 6.02 H new ATOM 802 N LEU A 160 100.185 -3.760 7.035 1.00 4.50 N ATOM 803 CA LEU A 160 101.627 -3.545 6.983 1.00 4.49 C ATOM 804 C LEU A 160 101.979 -2.098 6.634 1.00 4.25 C ATOM 805 O LEU A 160 103.156 -1.743 6.577 1.00 4.39 O ATOM 806 CB LEU A 160 102.263 -4.491 5.964 1.00 4.13 C ATOM 807 CG LEU A 160 102.021 -5.980 6.223 1.00 4.38 C ATOM 808 CD1 LEU A 160 101.600 -6.684 4.943 1.00 4.84 C ATOM 809 CD2 LEU A 160 103.266 -6.630 6.806 1.00 4.59 C ATOM 0 H LEU A 160 99.734 -3.830 6.123 1.00 4.50 H new ATOM 0 HA LEU A 160 102.023 -3.753 7.977 1.00 4.49 H new ATOM 0 HB2 LEU A 160 101.881 -4.243 4.974 1.00 4.13 H new ATOM 0 HB3 LEU A 160 103.338 -4.311 5.945 1.00 4.13 H new ATOM 0 HG LEU A 160 101.213 -6.075 6.948 1.00 4.38 H new ATOM 0 HD11 LEU A 160 101.433 -7.741 5.148 1.00 4.84 H new ATOM 0 HD12 LEU A 160 100.679 -6.237 4.568 1.00 4.84 H new ATOM 0 HD13 LEU A 160 102.386 -6.579 4.195 1.00 4.84 H new ATOM 0 HD21 LEU A 160 103.075 -7.688 6.983 1.00 4.59 H new ATOM 0 HD22 LEU A 160 104.094 -6.523 6.105 1.00 4.59 H new ATOM 0 HD23 LEU A 160 103.523 -6.145 7.748 1.00 4.59 H new ATOM 821 N ILE A 161 100.968 -1.264 6.403 1.00 4.04 N ATOM 822 CA ILE A 161 101.209 0.136 6.063 1.00 4.02 C ATOM 823 C ILE A 161 100.741 1.066 7.181 1.00 4.66 C ATOM 824 O ILE A 161 99.551 1.353 7.311 1.00 4.65 O ATOM 825 CB ILE A 161 100.518 0.529 4.739 1.00 3.40 C ATOM 826 CG1 ILE A 161 100.903 1.958 4.342 1.00 2.89 C ATOM 827 CG2 ILE A 161 99.007 0.393 4.857 1.00 3.55 C ATOM 828 CD1 ILE A 161 100.475 2.330 2.939 1.00 2.37 C ATOM 0 H ILE A 161 99.984 -1.529 6.444 1.00 4.04 H new ATOM 0 HA ILE A 161 102.286 0.248 5.937 1.00 4.02 H new ATOM 0 HB ILE A 161 100.858 -0.151 3.958 1.00 3.40 H new ATOM 0 HG12 ILE A 161 100.453 2.656 5.048 1.00 2.89 H new ATOM 0 HG13 ILE A 161 101.984 2.071 4.426 1.00 2.89 H new ATOM 0 HG21 ILE A 161 98.541 0.675 3.913 1.00 3.55 H new ATOM 0 HG22 ILE A 161 98.752 -0.640 5.093 1.00 3.55 H new ATOM 0 HG23 ILE A 161 98.644 1.047 5.650 1.00 3.55 H new ATOM 0 HD11 ILE A 161 100.780 3.354 2.725 1.00 2.37 H new ATOM 0 HD12 ILE A 161 100.945 1.655 2.224 1.00 2.37 H new ATOM 0 HD13 ILE A 161 99.391 2.249 2.856 1.00 2.37 H new ATOM 840 N GLN A 162 101.689 1.531 7.988 1.00 5.30 N ATOM 841 CA GLN A 162 101.377 2.428 9.096 1.00 6.01 C ATOM 842 C GLN A 162 101.757 3.865 8.755 1.00 6.16 C ATOM 843 O GLN A 162 102.906 4.270 8.925 1.00 6.76 O ATOM 844 CB GLN A 162 102.110 1.981 10.362 1.00 6.80 C ATOM 845 CG GLN A 162 101.860 0.529 10.730 1.00 6.97 C ATOM 846 CD GLN A 162 101.589 0.340 12.211 1.00 7.56 C ATOM 847 OE1 GLN A 162 100.843 1.106 12.821 1.00 8.05 O ATOM 848 NE2 GLN A 162 102.199 -0.683 12.798 1.00 7.77 N ATOM 0 H GLN A 162 102.679 1.302 7.896 1.00 5.30 H new ATOM 0 HA GLN A 162 100.302 2.388 9.273 1.00 6.01 H new ATOM 0 HB2 GLN A 162 103.181 2.133 10.224 1.00 6.80 H new ATOM 0 HB3 GLN A 162 101.802 2.616 11.193 1.00 6.80 H new ATOM 0 HG2 GLN A 162 101.011 0.154 10.158 1.00 6.97 H new ATOM 0 HG3 GLN A 162 102.725 -0.069 10.444 1.00 6.97 H new ATOM 0 HE21 GLN A 162 102.809 -1.293 12.254 1.00 7.77 H new ATOM 0 HE22 GLN A 162 102.057 -0.859 13.793 1.00 7.77 H new ATOM 857 N LEU A 163 100.782 4.630 8.274 1.00 5.80 N ATOM 858 CA LEU A 163 101.013 6.025 7.911 1.00 6.11 C ATOM 859 C LEU A 163 100.027 6.944 8.622 1.00 6.27 C ATOM 860 O LEU A 163 98.922 6.531 8.975 1.00 6.00 O ATOM 861 CB LEU A 163 100.898 6.202 6.394 1.00 5.81 C ATOM 862 CG LEU A 163 102.036 6.998 5.746 1.00 6.22 C ATOM 863 CD1 LEU A 163 102.647 6.217 4.592 1.00 6.32 C ATOM 864 CD2 LEU A 163 101.538 8.355 5.271 1.00 6.57 C ATOM 0 H LEU A 163 99.825 4.308 8.126 1.00 5.80 H new ATOM 0 HA LEU A 163 102.021 6.296 8.226 1.00 6.11 H new ATOM 0 HB2 LEU A 163 100.855 5.216 5.931 1.00 5.81 H new ATOM 0 HB3 LEU A 163 99.954 6.700 6.172 1.00 5.81 H new ATOM 0 HG LEU A 163 102.810 7.161 6.496 1.00 6.22 H new ATOM 0 HD11 LEU A 163 103.453 6.799 4.145 1.00 6.32 H new ATOM 0 HD12 LEU A 163 103.044 5.272 4.962 1.00 6.32 H new ATOM 0 HD13 LEU A 163 101.882 6.020 3.841 1.00 6.32 H new ATOM 0 HD21 LEU A 163 102.361 8.905 4.814 1.00 6.57 H new ATOM 0 HD22 LEU A 163 100.744 8.215 4.538 1.00 6.57 H new ATOM 0 HD23 LEU A 163 101.152 8.919 6.120 1.00 6.57 H new ATOM 876 N ASP A 164 100.433 8.192 8.833 1.00 6.82 N ATOM 877 CA ASP A 164 99.584 9.169 9.503 1.00 7.11 C ATOM 878 C ASP A 164 98.500 9.684 8.564 1.00 6.85 C ATOM 879 O ASP A 164 98.794 10.222 7.496 1.00 6.80 O ATOM 880 CB ASP A 164 100.425 10.337 10.021 1.00 7.92 C ATOM 881 CG ASP A 164 101.124 10.013 11.327 1.00 8.46 C ATOM 882 OD1 ASP A 164 100.431 9.625 12.290 1.00 8.87 O ATOM 883 OD2 ASP A 164 102.365 10.148 11.385 1.00 8.71 O ATOM 0 H ASP A 164 101.345 8.550 8.549 1.00 6.82 H new ATOM 0 HA ASP A 164 99.102 8.675 10.347 1.00 7.11 H new ATOM 0 HB2 ASP A 164 101.169 10.606 9.271 1.00 7.92 H new ATOM 0 HB3 ASP A 164 99.785 11.208 10.161 1.00 7.92 H new ATOM 888 N CYS A 165 97.245 9.516 8.968 1.00 6.77 N ATOM 889 CA CYS A 165 96.117 9.965 8.161 1.00 6.61 C ATOM 890 C CYS A 165 96.099 11.484 8.048 1.00 7.27 C ATOM 891 O CYS A 165 95.758 12.186 8.999 1.00 7.79 O ATOM 892 CB CYS A 165 94.802 9.469 8.760 1.00 6.46 C ATOM 893 SG CYS A 165 93.453 9.294 7.548 1.00 5.92 S ATOM 0 H CYS A 165 96.984 9.073 9.849 1.00 6.77 H new ATOM 0 HA CYS A 165 96.230 9.547 7.161 1.00 6.61 H new ATOM 0 HB2 CYS A 165 94.974 8.505 9.238 1.00 6.46 H new ATOM 0 HB3 CYS A 165 94.487 10.161 9.541 1.00 6.46 H new ATOM 898 N ARG A 166 96.472 11.979 6.876 1.00 7.27 N ATOM 899 CA ARG A 166 96.504 13.415 6.625 1.00 7.93 C ATOM 900 C ARG A 166 95.093 13.988 6.557 1.00 8.10 C ATOM 901 O ARG A 166 94.793 14.981 7.214 1.00 0.00 O ATOM 902 CB ARG A 166 97.249 13.706 5.320 1.00 7.96 C ATOM 903 CG ARG A 166 98.594 13.005 5.219 1.00 7.80 C ATOM 904 CD ARG A 166 99.269 13.285 3.886 1.00 8.18 C ATOM 905 NE ARG A 166 100.633 12.765 3.842 1.00 8.38 N ATOM 906 CZ ARG A 166 101.646 13.284 4.530 1.00 8.69 C ATOM 907 NH1 ARG A 166 101.453 14.334 5.319 1.00 8.85 N ATOM 908 NH2 ARG A 166 102.857 12.751 4.432 1.00 9.07 N ATOM 0 H ARG A 166 96.758 11.407 6.082 1.00 7.27 H new ATOM 0 HA ARG A 166 97.030 13.893 7.452 1.00 7.93 H new ATOM 0 HB2 ARG A 166 96.626 13.401 4.479 1.00 7.96 H new ATOM 0 HB3 ARG A 166 97.401 14.782 5.230 1.00 7.96 H new ATOM 0 HG2 ARG A 166 99.240 13.336 6.032 1.00 7.80 H new ATOM 0 HG3 ARG A 166 98.456 11.931 5.339 1.00 7.80 H new ATOM 0 HD2 ARG A 166 98.684 12.837 3.083 1.00 8.18 H new ATOM 0 HD3 ARG A 166 99.285 14.360 3.707 1.00 8.18 H new ATOM 0 HE ARG A 166 100.820 11.956 3.249 1.00 8.38 H new ATOM 0 HH11 ARG A 166 100.524 14.747 5.400 1.00 8.85 H new ATOM 0 HH12 ARG A 166 102.234 14.728 5.844 1.00 8.85 H new ATOM 0 HH21 ARG A 166 103.011 11.943 3.829 1.00 9.07 H new ATOM 0 HH22 ARG A 166 103.634 13.149 4.960 1.00 9.07 H new TER 922 ARG A 166 HETATM 923 ZN ZN A 1 100.433 -4.034 -1.767 1.00 2.57 ZN HETATM 924 ZN ZN A 2 94.241 8.056 5.774 1.00 4.87 ZN