USER MOD reduce.3.24.130724 H: found=0, std=0, add=399, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 401 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 Single : A 135 CYS SG : rot 180:sc= -0.145 USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 GLN : amide:sc= -2.44 K(o=-2.4,f=-8.9!) USER MOD Single : A 171 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.26) USER MOD Single : A 175 SER OG : rot -32:sc= 0.931 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0234) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.833 0.128 -0.124 1.00 0.00 N ATOM 2 CA CYS A 135 1.928 0.056 -1.076 1.00 0.00 C ATOM 3 C CYS A 135 1.929 -1.341 -1.703 1.00 0.00 C ATOM 4 O CYS A 135 2.951 -1.794 -2.215 1.00 0.00 O ATOM 5 CB CYS A 135 3.270 0.388 -0.422 1.00 0.00 C ATOM 6 SG CYS A 135 3.597 -0.767 0.959 1.00 0.00 S ATOM 0 HA CYS A 135 1.784 0.804 -1.856 1.00 0.00 H new ATOM 0 HB2 CYS A 135 4.070 0.321 -1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.261 1.414 -0.054 1.00 0.00 H new ATOM 0 HG CYS A 135 4.740 -0.477 1.506 1.00 0.00 H new ATOM 12 N TYR A 136 0.771 -1.982 -1.640 1.00 0.00 N ATOM 13 CA TYR A 136 0.625 -3.318 -2.195 1.00 0.00 C ATOM 14 C TYR A 136 -0.833 -3.605 -2.556 1.00 0.00 C ATOM 15 O TYR A 136 -1.722 -2.821 -2.231 1.00 0.00 O ATOM 16 CB TYR A 136 1.065 -4.282 -1.091 1.00 0.00 C ATOM 17 CG TYR A 136 2.535 -4.697 -1.176 1.00 0.00 C ATOM 18 CD1 TYR A 136 2.928 -5.670 -2.073 1.00 0.00 C ATOM 19 CD2 TYR A 136 3.469 -4.098 -0.355 1.00 0.00 C ATOM 20 CE1 TYR A 136 4.311 -6.060 -2.152 1.00 0.00 C ATOM 21 CE2 TYR A 136 4.853 -4.489 -0.435 1.00 0.00 C ATOM 22 CZ TYR A 136 5.206 -5.450 -1.329 1.00 0.00 C ATOM 23 OH TYR A 136 6.513 -5.818 -1.404 1.00 0.00 O ATOM 0 H TYR A 136 -0.074 -1.602 -1.214 1.00 0.00 H new ATOM 0 HA TYR A 136 1.218 -3.424 -3.104 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.885 -3.815 -0.123 1.00 0.00 H new ATOM 0 HB3 TYR A 136 0.443 -5.176 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 136 2.197 -6.139 -2.716 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.162 -3.337 0.347 1.00 0.00 H new ATOM 0 HE1 TYR A 136 4.631 -6.820 -2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 136 5.594 -4.029 0.202 1.00 0.00 H new ATOM 0 HH TYR A 136 7.037 -5.298 -0.759 1.00 0.00 H new ATOM 33 N VAL A 137 -1.033 -4.731 -3.226 1.00 0.00 N ATOM 34 CA VAL A 137 -2.367 -5.131 -3.636 1.00 0.00 C ATOM 35 C VAL A 137 -2.482 -6.656 -3.568 1.00 0.00 C ATOM 36 O VAL A 137 -1.520 -7.367 -3.855 1.00 0.00 O ATOM 37 CB VAL A 137 -2.679 -4.570 -5.025 1.00 0.00 C ATOM 38 CG1 VAL A 137 -3.039 -3.085 -4.946 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.511 -4.802 -5.984 1.00 0.00 C ATOM 0 H VAL A 137 -0.292 -5.379 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.114 -4.718 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.544 -5.104 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -3.256 -2.710 -5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.916 -2.956 -4.311 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.201 -2.529 -4.524 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.758 -4.394 -6.964 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.620 -4.306 -5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.321 -5.872 -6.074 1.00 0.00 H new ATOM 49 N ARG A 138 -3.666 -7.112 -3.188 1.00 0.00 N ATOM 50 CA ARG A 138 -3.918 -8.539 -3.079 1.00 0.00 C ATOM 51 C ARG A 138 -4.799 -9.013 -4.236 1.00 0.00 C ATOM 52 O ARG A 138 -5.968 -8.639 -4.325 1.00 0.00 O ATOM 53 CB ARG A 138 -4.603 -8.878 -1.753 1.00 0.00 C ATOM 54 CG ARG A 138 -4.182 -10.261 -1.254 1.00 0.00 C ATOM 55 CD ARG A 138 -4.839 -10.585 0.088 1.00 0.00 C ATOM 56 NE ARG A 138 -5.619 -11.838 -0.020 1.00 0.00 N ATOM 57 CZ ARG A 138 -6.634 -12.163 0.793 1.00 0.00 C ATOM 58 NH1 ARG A 138 -6.998 -11.330 1.777 1.00 0.00 N ATOM 59 NH2 ARG A 138 -7.285 -13.322 0.621 1.00 0.00 N ATOM 0 H ARG A 138 -4.461 -6.519 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.956 -9.049 -3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.349 -8.126 -1.006 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.685 -8.848 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.459 -11.016 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.098 -10.299 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -4.077 -10.687 0.860 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -5.491 -9.766 0.390 1.00 0.00 H new ATOM 0 HE ARG A 138 -5.369 -12.495 -0.759 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -6.503 -10.448 1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -7.770 -11.578 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -7.008 -13.956 -0.128 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -8.057 -13.570 1.239 1.00 0.00 H new ATOM 73 N ALA A 139 -4.205 -9.828 -5.095 1.00 0.00 N ATOM 74 CA ALA A 139 -4.921 -10.357 -6.244 1.00 0.00 C ATOM 75 C ALA A 139 -5.728 -11.585 -5.815 1.00 0.00 C ATOM 76 O ALA A 139 -5.165 -12.656 -5.597 1.00 0.00 O ATOM 77 CB ALA A 139 -3.928 -10.672 -7.363 1.00 0.00 C ATOM 0 H ALA A 139 -3.235 -10.135 -5.019 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.624 -9.620 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.465 -11.069 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.403 -9.761 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.207 -11.411 -7.013 1.00 0.00 H new ATOM 83 N LEU A 140 -7.033 -11.388 -5.708 1.00 0.00 N ATOM 84 CA LEU A 140 -7.923 -12.465 -5.310 1.00 0.00 C ATOM 85 C LEU A 140 -8.368 -13.237 -6.554 1.00 0.00 C ATOM 86 O LEU A 140 -9.445 -13.834 -6.565 1.00 0.00 O ATOM 87 CB LEU A 140 -9.083 -11.921 -4.475 1.00 0.00 C ATOM 88 CG LEU A 140 -9.440 -10.450 -4.699 1.00 0.00 C ATOM 89 CD1 LEU A 140 -8.397 -9.531 -4.062 1.00 0.00 C ATOM 90 CD2 LEU A 140 -9.632 -10.154 -6.188 1.00 0.00 C ATOM 0 H LEU A 140 -7.496 -10.498 -5.890 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.402 -13.172 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.967 -12.524 -4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -8.842 -12.059 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 140 -10.391 -10.249 -4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -8.674 -8.491 -4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -8.352 -9.720 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -7.421 -9.725 -4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -9.885 -9.102 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.710 -10.376 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -10.438 -10.773 -6.581 1.00 0.00 H new ATOM 102 N PHE A 141 -7.519 -13.202 -7.570 1.00 0.00 N ATOM 103 CA PHE A 141 -7.812 -13.892 -8.814 1.00 0.00 C ATOM 104 C PHE A 141 -6.537 -14.464 -9.437 1.00 0.00 C ATOM 105 O PHE A 141 -5.437 -13.992 -9.154 1.00 0.00 O ATOM 106 CB PHE A 141 -8.411 -12.857 -9.769 1.00 0.00 C ATOM 107 CG PHE A 141 -9.938 -12.785 -9.731 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.680 -13.810 -10.231 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.555 -11.696 -9.196 1.00 0.00 C ATOM 110 CE1 PHE A 141 -12.098 -13.743 -10.195 1.00 0.00 C ATOM 111 CE2 PHE A 141 -11.973 -11.630 -9.160 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.715 -12.655 -9.661 1.00 0.00 C ATOM 0 H PHE A 141 -6.628 -12.706 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.497 -14.719 -8.628 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.005 -11.875 -9.525 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.094 -13.089 -10.786 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -10.191 -14.674 -10.655 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -9.966 -10.882 -8.799 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -12.687 -14.557 -10.592 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.463 -10.766 -8.735 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.793 -12.604 -9.635 1.00 0.00 H new ATOM 122 N ASP A 142 -6.728 -15.475 -10.273 1.00 0.00 N ATOM 123 CA ASP A 142 -5.607 -16.118 -10.938 1.00 0.00 C ATOM 124 C ASP A 142 -5.387 -15.464 -12.304 1.00 0.00 C ATOM 125 O ASP A 142 -6.330 -15.299 -13.076 1.00 0.00 O ATOM 126 CB ASP A 142 -5.880 -17.606 -11.164 1.00 0.00 C ATOM 127 CG ASP A 142 -7.171 -18.130 -10.531 1.00 0.00 C ATOM 128 OD1 ASP A 142 -8.239 -17.592 -10.892 1.00 0.00 O ATOM 129 OD2 ASP A 142 -7.058 -19.057 -9.699 1.00 0.00 O ATOM 0 H ASP A 142 -7.642 -15.864 -10.505 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.728 -16.006 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -5.917 -17.794 -12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -5.041 -18.178 -10.768 1.00 0.00 H new ATOM 134 N PHE A 143 -4.136 -15.112 -12.561 1.00 0.00 N ATOM 135 CA PHE A 143 -3.781 -14.480 -13.820 1.00 0.00 C ATOM 136 C PHE A 143 -2.419 -14.973 -14.316 1.00 0.00 C ATOM 137 O PHE A 143 -1.460 -15.033 -13.549 1.00 0.00 O ATOM 138 CB PHE A 143 -3.700 -12.975 -13.559 1.00 0.00 C ATOM 139 CG PHE A 143 -3.669 -12.124 -14.830 1.00 0.00 C ATOM 140 CD1 PHE A 143 -4.775 -12.033 -15.615 1.00 0.00 C ATOM 141 CD2 PHE A 143 -2.534 -11.457 -15.174 1.00 0.00 C ATOM 142 CE1 PHE A 143 -4.746 -11.243 -16.794 1.00 0.00 C ATOM 143 CE2 PHE A 143 -2.506 -10.667 -16.353 1.00 0.00 C ATOM 144 CZ PHE A 143 -3.613 -10.576 -17.139 1.00 0.00 C ATOM 0 H PHE A 143 -3.356 -15.252 -11.919 1.00 0.00 H new ATOM 0 HA PHE A 143 -4.524 -14.722 -14.580 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.556 -12.675 -12.954 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.806 -12.766 -12.972 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -5.676 -12.562 -15.342 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -1.655 -11.529 -14.550 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -5.625 -11.172 -17.417 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -1.605 -10.138 -16.626 1.00 0.00 H new ATOM 0 HZ PHE A 143 -3.591 -9.975 -18.036 1.00 0.00 H new ATOM 243 N LEU A 151 1.430 -8.427 -15.497 1.00 0.00 N ATOM 244 CA LEU A 151 1.926 -8.982 -14.249 1.00 0.00 C ATOM 245 C LEU A 151 1.072 -10.191 -13.859 1.00 0.00 C ATOM 246 O LEU A 151 -0.035 -10.035 -13.347 1.00 0.00 O ATOM 247 CB LEU A 151 1.990 -7.900 -13.169 1.00 0.00 C ATOM 248 CG LEU A 151 2.932 -8.179 -11.996 1.00 0.00 C ATOM 249 CD1 LEU A 151 4.394 -8.065 -12.429 1.00 0.00 C ATOM 250 CD2 LEU A 151 2.613 -7.269 -10.808 1.00 0.00 C ATOM 0 HA LEU A 151 2.949 -9.339 -14.370 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.293 -6.964 -13.638 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.985 -7.748 -12.774 1.00 0.00 H new ATOM 0 HG LEU A 151 2.773 -9.206 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.043 -8.268 -11.577 1.00 0.00 H new ATOM 0 HD12 LEU A 151 4.597 -8.788 -13.220 1.00 0.00 H new ATOM 0 HD13 LEU A 151 4.586 -7.058 -12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.297 -7.488 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.727 -6.227 -11.107 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.588 -7.443 -10.481 1.00 0.00 H new ATOM 262 N PRO A 152 1.635 -11.401 -14.124 1.00 0.00 N ATOM 263 CA PRO A 152 0.937 -12.635 -13.807 1.00 0.00 C ATOM 264 C PRO A 152 0.968 -12.911 -12.302 1.00 0.00 C ATOM 265 O PRO A 152 1.910 -12.519 -11.614 1.00 0.00 O ATOM 266 CB PRO A 152 1.643 -13.707 -14.622 1.00 0.00 C ATOM 267 CG PRO A 152 2.993 -13.119 -15.003 1.00 0.00 C ATOM 268 CD PRO A 152 2.944 -11.624 -14.730 1.00 0.00 C ATOM 0 HA PRO A 152 -0.123 -12.596 -14.059 1.00 0.00 H new ATOM 0 HB2 PRO A 152 1.765 -14.622 -14.042 1.00 0.00 H new ATOM 0 HB3 PRO A 152 1.066 -13.967 -15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 152 3.790 -13.587 -14.425 1.00 0.00 H new ATOM 0 HG3 PRO A 152 3.209 -13.308 -16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 152 3.748 -11.317 -14.061 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.058 -11.050 -15.649 1.00 0.00 H new ATOM 276 N PHE A 153 -0.074 -13.584 -11.835 1.00 0.00 N ATOM 277 CA PHE A 153 -0.177 -13.917 -10.424 1.00 0.00 C ATOM 278 C PHE A 153 -1.163 -15.066 -10.204 1.00 0.00 C ATOM 279 O PHE A 153 -1.768 -15.560 -11.154 1.00 0.00 O ATOM 280 CB PHE A 153 -0.697 -12.669 -9.707 1.00 0.00 C ATOM 281 CG PHE A 153 -1.923 -12.036 -10.370 1.00 0.00 C ATOM 282 CD1 PHE A 153 -3.162 -12.545 -10.135 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.772 -10.965 -11.194 1.00 0.00 C ATOM 284 CE1 PHE A 153 -4.299 -11.956 -10.750 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.909 -10.376 -11.809 1.00 0.00 C ATOM 286 CZ PHE A 153 -4.148 -10.886 -11.574 1.00 0.00 C ATOM 0 H PHE A 153 -0.853 -13.907 -12.408 1.00 0.00 H new ATOM 0 HA PHE A 153 0.795 -14.229 -10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.947 -12.931 -8.679 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.102 -11.929 -9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -3.281 -13.396 -9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.788 -10.562 -11.381 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -5.283 -12.359 -10.563 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.790 -9.524 -12.462 1.00 0.00 H new ATOM 0 HZ PHE A 153 -5.013 -10.440 -12.043 1.00 0.00 H new ATOM 296 N LYS A 154 -1.294 -15.457 -8.944 1.00 0.00 N ATOM 297 CA LYS A 154 -2.196 -16.538 -8.587 1.00 0.00 C ATOM 298 C LYS A 154 -3.152 -16.059 -7.493 1.00 0.00 C ATOM 299 O LYS A 154 -2.761 -15.292 -6.614 1.00 0.00 O ATOM 300 CB LYS A 154 -1.406 -17.792 -8.207 1.00 0.00 C ATOM 301 CG LYS A 154 -2.088 -18.544 -7.063 1.00 0.00 C ATOM 302 CD LYS A 154 -1.345 -19.842 -6.740 1.00 0.00 C ATOM 303 CE LYS A 154 -0.766 -19.806 -5.324 1.00 0.00 C ATOM 304 NZ LYS A 154 -1.806 -20.156 -4.330 1.00 0.00 N ATOM 0 H LYS A 154 -0.791 -15.044 -8.159 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.808 -16.822 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.316 -18.446 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.394 -17.513 -7.912 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.123 -17.911 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.119 -18.769 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -2.025 -20.688 -6.837 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.542 -19.994 -7.461 1.00 0.00 H new ATOM 0 HE2 LYS A 154 0.068 -20.504 -5.248 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.371 -18.813 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.397 -20.127 -3.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -2.589 -19.474 -4.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.164 -21.113 -4.524 1.00 0.00 H new ATOM 318 N LYS A 155 -4.387 -16.530 -7.581 1.00 0.00 N ATOM 319 CA LYS A 155 -5.402 -16.159 -6.609 1.00 0.00 C ATOM 320 C LYS A 155 -4.772 -16.109 -5.215 1.00 0.00 C ATOM 321 O LYS A 155 -4.122 -17.062 -4.790 1.00 0.00 O ATOM 322 CB LYS A 155 -6.606 -17.098 -6.707 1.00 0.00 C ATOM 323 CG LYS A 155 -7.902 -16.365 -6.357 1.00 0.00 C ATOM 324 CD LYS A 155 -8.021 -16.150 -4.847 1.00 0.00 C ATOM 325 CE LYS A 155 -8.359 -17.461 -4.132 1.00 0.00 C ATOM 326 NZ LYS A 155 -9.822 -17.687 -4.129 1.00 0.00 N ATOM 0 H LYS A 155 -4.708 -17.166 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.787 -15.162 -6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.674 -17.503 -7.716 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.468 -17.943 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.929 -15.403 -6.868 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.757 -16.940 -6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -7.085 -15.750 -4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.794 -15.409 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -7.858 -18.292 -4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -7.988 -17.430 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -10.034 -18.580 -3.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -10.294 -16.902 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -10.167 -17.738 -5.109 1.00 0.00 H new ATOM 340 N GLY A 156 -4.988 -14.987 -4.544 1.00 0.00 N ATOM 341 CA GLY A 156 -4.450 -14.800 -3.208 1.00 0.00 C ATOM 342 C GLY A 156 -2.971 -14.411 -3.261 1.00 0.00 C ATOM 343 O GLY A 156 -2.172 -14.889 -2.458 1.00 0.00 O ATOM 0 H GLY A 156 -5.528 -14.199 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.015 -14.025 -2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.568 -15.719 -2.633 1.00 0.00 H new ATOM 347 N ASP A 157 -2.654 -13.547 -4.214 1.00 0.00 N ATOM 348 CA ASP A 157 -1.285 -13.089 -4.383 1.00 0.00 C ATOM 349 C ASP A 157 -1.197 -11.610 -4.004 1.00 0.00 C ATOM 350 O ASP A 157 -2.214 -10.920 -3.940 1.00 0.00 O ATOM 351 CB ASP A 157 -0.832 -13.233 -5.837 1.00 0.00 C ATOM 352 CG ASP A 157 0.495 -12.549 -6.171 1.00 0.00 C ATOM 353 OD1 ASP A 157 0.445 -11.347 -6.512 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.531 -13.243 -6.077 1.00 0.00 O ATOM 0 H ASP A 157 -3.321 -13.152 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.644 -13.697 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.746 -14.294 -6.072 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -1.607 -12.825 -6.486 1.00 0.00 H new ATOM 359 N ILE A 158 0.027 -11.165 -3.762 1.00 0.00 N ATOM 360 CA ILE A 158 0.261 -9.780 -3.390 1.00 0.00 C ATOM 361 C ILE A 158 1.188 -9.130 -4.420 1.00 0.00 C ATOM 362 O ILE A 158 2.066 -9.791 -4.974 1.00 0.00 O ATOM 363 CB ILE A 158 0.779 -9.691 -1.954 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.312 -10.078 -0.953 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.357 -8.304 -1.665 1.00 0.00 C ATOM 366 CD1 ILE A 158 0.287 -10.375 0.423 1.00 0.00 C ATOM 0 H ILE A 158 0.868 -11.740 -3.816 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.673 -9.219 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 158 1.591 -10.409 -1.838 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -1.038 -9.269 -0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -0.850 -10.954 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.718 -8.267 -0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.183 -8.105 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.582 -7.551 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -0.509 -10.647 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 158 0.995 -11.200 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 158 0.803 -9.490 0.794 1.00 0.00 H new ATOM 378 N LEU A 159 0.962 -7.845 -4.644 1.00 0.00 N ATOM 379 CA LEU A 159 1.766 -7.098 -5.597 1.00 0.00 C ATOM 380 C LEU A 159 2.021 -5.691 -5.052 1.00 0.00 C ATOM 381 O LEU A 159 1.139 -5.091 -4.439 1.00 0.00 O ATOM 382 CB LEU A 159 1.110 -7.113 -6.979 1.00 0.00 C ATOM 383 CG LEU A 159 0.407 -8.412 -7.374 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.758 -8.138 -8.328 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.402 -9.418 -7.958 1.00 0.00 C ATOM 0 H LEU A 159 0.233 -7.301 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 159 2.740 -7.571 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.383 -6.302 -7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.875 -6.896 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 159 -0.013 -8.860 -6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -1.240 -9.079 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.481 -7.484 -7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -0.383 -7.656 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.876 -10.333 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 159 1.872 -8.992 -8.844 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.167 -9.646 -7.216 1.00 0.00 H new ATOM 397 N ARG A 160 3.230 -5.207 -5.294 1.00 0.00 N ATOM 398 CA ARG A 160 3.611 -3.882 -4.835 1.00 0.00 C ATOM 399 C ARG A 160 3.358 -2.846 -5.933 1.00 0.00 C ATOM 400 O ARG A 160 4.138 -2.736 -6.878 1.00 0.00 O ATOM 401 CB ARG A 160 5.088 -3.842 -4.436 1.00 0.00 C ATOM 402 CG ARG A 160 5.378 -2.642 -3.531 1.00 0.00 C ATOM 403 CD ARG A 160 6.717 -1.996 -3.891 1.00 0.00 C ATOM 404 NE ARG A 160 7.826 -2.929 -3.594 1.00 0.00 N ATOM 405 CZ ARG A 160 8.422 -3.032 -2.399 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.021 -2.259 -1.381 1.00 0.00 N ATOM 407 NH2 ARG A 160 9.421 -3.907 -2.221 1.00 0.00 N ATOM 0 H ARG A 160 3.959 -5.708 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 160 3.003 -3.646 -3.962 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.354 -4.764 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.709 -3.786 -5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 160 4.578 -1.908 -3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.393 -2.963 -2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.729 -1.729 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.847 -1.072 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 160 8.158 -3.532 -4.347 1.00 0.00 H new ATOM 0 HH11 ARG A 160 7.261 -1.592 -1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 160 8.475 -2.338 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.728 -4.495 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.875 -3.985 -1.311 1.00 0.00 H new ATOM 421 N ILE A 161 2.266 -2.116 -5.771 1.00 0.00 N ATOM 422 CA ILE A 161 1.900 -1.093 -6.737 1.00 0.00 C ATOM 423 C ILE A 161 2.688 0.184 -6.443 1.00 0.00 C ATOM 424 O ILE A 161 2.655 0.696 -5.325 1.00 0.00 O ATOM 425 CB ILE A 161 0.383 -0.889 -6.754 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.047 0.113 -5.681 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.351 -2.225 -6.618 1.00 0.00 C ATOM 428 CD1 ILE A 161 0.095 1.550 -6.185 1.00 0.00 C ATOM 0 H ILE A 161 1.622 -2.212 -4.986 1.00 0.00 H new ATOM 0 HA ILE A 161 2.167 -1.409 -7.746 1.00 0.00 H new ATOM 0 HB ILE A 161 0.106 -0.466 -7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -1.082 -0.076 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 161 0.560 -0.024 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.427 -2.052 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -0.077 -2.877 -7.447 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -0.073 -2.699 -5.677 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -0.217 2.242 -5.403 1.00 0.00 H new ATOM 0 HD12 ILE A 161 1.136 1.743 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -0.532 1.690 -7.065 1.00 0.00 H new ATOM 440 N ARG A 162 3.380 0.664 -7.468 1.00 0.00 N ATOM 441 CA ARG A 162 4.176 1.871 -7.333 1.00 0.00 C ATOM 442 C ARG A 162 3.704 2.932 -8.332 1.00 0.00 C ATOM 443 O ARG A 162 3.939 4.123 -8.134 1.00 0.00 O ATOM 444 CB ARG A 162 5.660 1.583 -7.569 1.00 0.00 C ATOM 445 CG ARG A 162 6.524 2.770 -7.140 1.00 0.00 C ATOM 446 CD ARG A 162 8.002 2.507 -7.434 1.00 0.00 C ATOM 447 NE ARG A 162 8.823 2.857 -6.254 1.00 0.00 N ATOM 448 CZ ARG A 162 10.158 2.974 -6.276 1.00 0.00 C ATOM 449 NH1 ARG A 162 10.830 2.770 -7.417 1.00 0.00 N ATOM 450 NH2 ARG A 162 10.821 3.295 -5.156 1.00 0.00 N ATOM 0 H ARG A 162 3.405 0.238 -8.394 1.00 0.00 H new ATOM 0 HA ARG A 162 4.047 2.241 -6.316 1.00 0.00 H new ATOM 0 HB2 ARG A 162 5.955 0.694 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.829 1.368 -8.624 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.200 3.669 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.389 2.956 -6.075 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.149 1.458 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 162 8.320 3.094 -8.296 1.00 0.00 H new ATOM 0 HE ARG A 162 8.343 3.019 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 162 10.326 2.526 -8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 162 11.846 2.859 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 162 10.310 3.450 -4.287 1.00 0.00 H new ATOM 0 HH22 ARG A 162 11.837 3.384 -5.173 1.00 0.00 H new ATOM 464 N ASP A 163 3.050 2.459 -9.382 1.00 0.00 N ATOM 465 CA ASP A 163 2.544 3.351 -10.412 1.00 0.00 C ATOM 466 C ASP A 163 1.104 2.963 -10.753 1.00 0.00 C ATOM 467 O ASP A 163 0.757 1.784 -10.747 1.00 0.00 O ATOM 468 CB ASP A 163 3.378 3.246 -11.690 1.00 0.00 C ATOM 469 CG ASP A 163 4.139 4.517 -12.072 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.035 5.495 -11.299 1.00 0.00 O ATOM 471 OD2 ASP A 163 4.807 4.483 -13.128 1.00 0.00 O ATOM 0 H ASP A 163 2.859 1.470 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 163 2.596 4.371 -10.031 1.00 0.00 H new ATOM 0 HB2 ASP A 163 4.095 2.433 -11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.719 2.973 -12.514 1.00 0.00 H new ATOM 476 N LYS A 164 0.305 3.979 -11.044 1.00 0.00 N ATOM 477 CA LYS A 164 -1.090 3.760 -11.388 1.00 0.00 C ATOM 478 C LYS A 164 -1.491 4.719 -12.511 1.00 0.00 C ATOM 479 O LYS A 164 -2.100 5.757 -12.256 1.00 0.00 O ATOM 480 CB LYS A 164 -1.972 3.867 -10.142 1.00 0.00 C ATOM 481 CG LYS A 164 -1.235 3.355 -8.903 1.00 0.00 C ATOM 482 CD LYS A 164 -0.339 4.444 -8.310 1.00 0.00 C ATOM 483 CE LYS A 164 -0.896 4.946 -6.976 1.00 0.00 C ATOM 484 NZ LYS A 164 0.182 5.540 -6.154 1.00 0.00 N ATOM 0 H LYS A 164 0.597 4.956 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.235 2.748 -11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -2.269 4.905 -9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -2.886 3.292 -10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -1.957 3.026 -8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -0.632 2.486 -9.167 1.00 0.00 H new ATOM 0 HD2 LYS A 164 0.667 4.052 -8.164 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -0.259 5.275 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.674 5.688 -7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -1.361 4.121 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -0.214 5.875 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 0.911 4.822 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 0.607 6.340 -6.665 1.00 0.00 H new ATOM 498 N PRO A 165 -1.125 4.328 -13.760 1.00 0.00 N ATOM 499 CA PRO A 165 -1.439 5.142 -14.922 1.00 0.00 C ATOM 500 C PRO A 165 -2.921 5.029 -15.284 1.00 0.00 C ATOM 501 O PRO A 165 -3.599 6.039 -15.461 1.00 0.00 O ATOM 502 CB PRO A 165 -0.519 4.633 -16.020 1.00 0.00 C ATOM 503 CG PRO A 165 -0.057 3.256 -15.571 1.00 0.00 C ATOM 504 CD PRO A 165 -0.402 3.105 -14.098 1.00 0.00 C ATOM 0 HA PRO A 165 -1.277 6.206 -14.747 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.043 4.577 -16.974 1.00 0.00 H new ATOM 0 HB3 PRO A 165 0.329 5.303 -16.161 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.546 2.479 -16.159 1.00 0.00 H new ATOM 0 HG3 PRO A 165 1.016 3.145 -15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -1.015 2.221 -13.923 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.496 2.995 -13.490 1.00 0.00 H new ATOM 512 N GLU A 166 -3.381 3.790 -15.383 1.00 0.00 N ATOM 513 CA GLU A 166 -4.771 3.532 -15.721 1.00 0.00 C ATOM 514 C GLU A 166 -5.650 3.644 -14.474 1.00 0.00 C ATOM 515 O GLU A 166 -5.152 3.911 -13.382 1.00 0.00 O ATOM 516 CB GLU A 166 -4.928 2.161 -16.383 1.00 0.00 C ATOM 517 CG GLU A 166 -3.865 1.947 -17.460 1.00 0.00 C ATOM 518 CD GLU A 166 -4.479 1.344 -18.726 1.00 0.00 C ATOM 519 OE1 GLU A 166 -5.135 2.114 -19.460 1.00 0.00 O ATOM 520 OE2 GLU A 166 -4.279 0.127 -18.929 1.00 0.00 O ATOM 0 H GLU A 166 -2.816 2.954 -15.235 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.097 4.285 -16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.849 1.378 -15.629 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -5.921 2.079 -16.826 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -3.389 2.898 -17.700 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.085 1.287 -17.080 1.00 0.00 H new ATOM 527 N GLU A 167 -6.941 3.433 -14.679 1.00 0.00 N ATOM 528 CA GLU A 167 -7.895 3.507 -13.586 1.00 0.00 C ATOM 529 C GLU A 167 -8.335 2.102 -13.170 1.00 0.00 C ATOM 530 O GLU A 167 -9.267 1.948 -12.381 1.00 0.00 O ATOM 531 CB GLU A 167 -9.100 4.369 -13.965 1.00 0.00 C ATOM 532 CG GLU A 167 -8.695 5.837 -14.127 1.00 0.00 C ATOM 533 CD GLU A 167 -8.951 6.623 -12.840 1.00 0.00 C ATOM 534 OE1 GLU A 167 -9.912 6.253 -12.131 1.00 0.00 O ATOM 535 OE2 GLU A 167 -8.181 7.576 -12.594 1.00 0.00 O ATOM 0 H GLU A 167 -7.349 3.211 -15.587 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.406 3.981 -12.735 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.535 4.003 -14.895 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -9.869 4.283 -13.198 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -7.639 5.899 -14.391 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.256 6.284 -14.948 1.00 0.00 H new ATOM 542 N GLN A 168 -7.646 1.113 -13.720 1.00 0.00 N ATOM 543 CA GLN A 168 -7.955 -0.274 -13.415 1.00 0.00 C ATOM 544 C GLN A 168 -6.679 -1.117 -13.430 1.00 0.00 C ATOM 545 O GLN A 168 -6.480 -1.964 -12.561 1.00 0.00 O ATOM 546 CB GLN A 168 -8.992 -0.831 -14.392 1.00 0.00 C ATOM 547 CG GLN A 168 -10.409 -0.437 -13.971 1.00 0.00 C ATOM 548 CD GLN A 168 -10.869 -1.254 -12.761 1.00 0.00 C ATOM 549 OE1 GLN A 168 -10.122 -1.501 -11.828 1.00 0.00 O ATOM 550 NE2 GLN A 168 -12.134 -1.655 -12.828 1.00 0.00 N ATOM 0 H GLN A 168 -6.875 1.244 -14.375 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.385 -0.319 -12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.790 -0.456 -15.395 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.910 -1.917 -14.435 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.438 0.625 -13.729 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -11.096 -0.594 -14.803 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -12.704 -1.413 -13.639 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.536 -2.205 -12.069 1.00 0.00 H new ATOM 559 N TRP A 169 -5.847 -0.856 -14.428 1.00 0.00 N ATOM 560 CA TRP A 169 -4.595 -1.581 -14.568 1.00 0.00 C ATOM 561 C TRP A 169 -3.463 -0.665 -14.098 1.00 0.00 C ATOM 562 O TRP A 169 -3.160 0.335 -14.746 1.00 0.00 O ATOM 563 CB TRP A 169 -4.406 -2.077 -16.002 1.00 0.00 C ATOM 564 CG TRP A 169 -5.223 -3.324 -16.342 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.487 -3.388 -16.785 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.780 -4.695 -16.250 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.889 -4.693 -16.983 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.818 -5.513 -16.648 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.543 -5.225 -15.844 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.724 -6.910 -16.678 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.466 -6.623 -15.880 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.501 -7.461 -16.278 1.00 0.00 C ATOM 0 H TRP A 169 -6.015 -0.153 -15.147 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.597 -2.478 -13.948 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.679 -1.278 -16.691 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.350 -2.292 -16.165 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -7.112 -2.526 -16.964 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.804 -4.999 -17.314 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.718 -4.604 -15.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.551 -7.529 -16.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.537 -7.082 -15.577 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.362 -8.532 -16.279 1.00 0.00 H new ATOM 583 N TRP A 170 -2.870 -1.040 -12.974 1.00 0.00 N ATOM 584 CA TRP A 170 -1.779 -0.264 -12.409 1.00 0.00 C ATOM 585 C TRP A 170 -0.508 -1.113 -12.485 1.00 0.00 C ATOM 586 O TRP A 170 -0.576 -2.323 -12.695 1.00 0.00 O ATOM 587 CB TRP A 170 -2.108 0.193 -10.987 1.00 0.00 C ATOM 588 CG TRP A 170 -3.372 1.052 -10.887 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.008 1.702 -11.871 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.130 1.328 -9.691 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.116 2.374 -11.400 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.194 2.139 -10.031 1.00 0.00 C ATOM 593 CE3 TRP A 170 -3.925 0.906 -8.365 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.134 2.600 -9.102 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.874 1.375 -7.450 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.950 2.192 -7.775 1.00 0.00 C ATOM 0 H TRP A 170 -3.124 -1.871 -12.439 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.622 0.652 -12.979 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.226 -0.685 -10.352 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.264 0.759 -10.594 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.692 1.700 -12.904 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.760 2.939 -11.953 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.101 0.271 -8.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -6.957 3.236 -9.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.762 1.081 -6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.641 2.511 -7.008 1.00 0.00 H new ATOM 607 N ASN A 171 0.623 -0.445 -12.308 1.00 0.00 N ATOM 608 CA ASN A 171 1.908 -1.123 -12.353 1.00 0.00 C ATOM 609 C ASN A 171 2.355 -1.453 -10.927 1.00 0.00 C ATOM 610 O ASN A 171 2.577 -0.553 -10.119 1.00 0.00 O ATOM 611 CB ASN A 171 2.977 -0.234 -12.989 1.00 0.00 C ATOM 612 CG ASN A 171 3.794 -1.014 -14.022 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.528 -1.934 -13.703 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.626 -0.594 -15.273 1.00 0.00 N ATOM 0 H ASN A 171 0.676 0.559 -12.133 1.00 0.00 H new ATOM 0 HA ASN A 171 1.791 -2.029 -12.948 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.505 0.624 -13.466 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.639 0.156 -12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.128 -1.049 -16.035 1.00 0.00 H new ATOM 0 HD22 ASN A 171 2.995 0.183 -15.470 1.00 0.00 H new ATOM 621 N ALA A 172 2.474 -2.746 -10.664 1.00 0.00 N ATOM 622 CA ALA A 172 2.892 -3.206 -9.350 1.00 0.00 C ATOM 623 C ALA A 172 3.858 -4.383 -9.510 1.00 0.00 C ATOM 624 O ALA A 172 3.933 -4.988 -10.578 1.00 0.00 O ATOM 625 CB ALA A 172 1.659 -3.572 -8.522 1.00 0.00 C ATOM 0 H ALA A 172 2.289 -3.489 -11.338 1.00 0.00 H new ATOM 0 HA ALA A 172 3.421 -2.416 -8.816 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.972 -3.917 -7.537 1.00 0.00 H new ATOM 0 HB2 ALA A 172 1.020 -2.695 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.105 -4.365 -9.025 1.00 0.00 H new ATOM 631 N GLU A 173 4.571 -4.671 -8.431 1.00 0.00 N ATOM 632 CA GLU A 173 5.528 -5.764 -8.438 1.00 0.00 C ATOM 633 C GLU A 173 4.856 -7.061 -7.984 1.00 0.00 C ATOM 634 O GLU A 173 3.834 -7.029 -7.302 1.00 0.00 O ATOM 635 CB GLU A 173 6.739 -5.437 -7.562 1.00 0.00 C ATOM 636 CG GLU A 173 7.796 -4.664 -8.353 1.00 0.00 C ATOM 637 CD GLU A 173 7.546 -3.157 -8.272 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.369 -2.767 -8.434 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.537 -2.428 -8.052 1.00 0.00 O ATOM 0 H GLU A 173 4.505 -4.167 -7.547 1.00 0.00 H new ATOM 0 HA GLU A 173 5.886 -5.902 -9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.421 -4.848 -6.701 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.172 -6.359 -7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.788 -4.893 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.782 -4.983 -9.395 1.00 0.00 H new ATOM 646 N ASP A 174 5.459 -8.173 -8.381 1.00 0.00 N ATOM 647 CA ASP A 174 4.932 -9.478 -8.022 1.00 0.00 C ATOM 648 C ASP A 174 5.596 -9.955 -6.729 1.00 0.00 C ATOM 649 O ASP A 174 6.152 -9.153 -5.980 1.00 0.00 O ATOM 650 CB ASP A 174 5.226 -10.509 -9.113 1.00 0.00 C ATOM 651 CG ASP A 174 4.086 -11.486 -9.406 1.00 0.00 C ATOM 652 OD1 ASP A 174 2.923 -11.084 -9.181 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.401 -12.611 -9.849 1.00 0.00 O ATOM 0 H ASP A 174 6.307 -8.196 -8.947 1.00 0.00 H new ATOM 0 HA ASP A 174 3.853 -9.383 -7.896 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.476 -9.980 -10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 174 6.108 -11.080 -8.823 1.00 0.00 H new ATOM 658 N SER A 175 5.518 -11.259 -6.507 1.00 0.00 N ATOM 659 CA SER A 175 6.104 -11.852 -5.317 1.00 0.00 C ATOM 660 C SER A 175 7.607 -12.057 -5.521 1.00 0.00 C ATOM 661 O SER A 175 8.275 -12.658 -4.682 1.00 0.00 O ATOM 662 CB SER A 175 5.429 -13.182 -4.974 1.00 0.00 C ATOM 663 OG SER A 175 6.021 -13.802 -3.835 1.00 0.00 O ATOM 0 H SER A 175 5.058 -11.922 -7.131 1.00 0.00 H new ATOM 0 HA SER A 175 5.946 -11.170 -4.482 1.00 0.00 H new ATOM 0 HB2 SER A 175 4.369 -13.013 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 175 5.497 -13.854 -5.829 1.00 0.00 H new ATOM 0 HG SER A 175 6.976 -13.583 -3.803 1.00 0.00 H new ATOM 669 N GLU A 176 8.094 -11.544 -6.642 1.00 0.00 N ATOM 670 CA GLU A 176 9.505 -11.663 -6.967 1.00 0.00 C ATOM 671 C GLU A 176 10.097 -10.288 -7.280 1.00 0.00 C ATOM 672 O GLU A 176 11.296 -10.162 -7.517 1.00 0.00 O ATOM 673 CB GLU A 176 9.720 -12.631 -8.132 1.00 0.00 C ATOM 674 CG GLU A 176 9.395 -14.068 -7.719 1.00 0.00 C ATOM 675 CD GLU A 176 10.590 -14.992 -7.961 1.00 0.00 C ATOM 676 OE1 GLU A 176 10.842 -15.295 -9.148 1.00 0.00 O ATOM 677 OE2 GLU A 176 11.224 -15.374 -6.955 1.00 0.00 O ATOM 0 H GLU A 176 7.537 -11.045 -7.336 1.00 0.00 H new ATOM 0 HA GLU A 176 10.024 -12.070 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.090 -12.339 -8.973 1.00 0.00 H new ATOM 0 HB3 GLU A 176 10.754 -12.572 -8.472 1.00 0.00 H new ATOM 0 HG2 GLU A 176 9.119 -14.093 -6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 176 8.534 -14.426 -8.283 1.00 0.00 H new ATOM 684 N GLY A 177 9.225 -9.289 -7.273 1.00 0.00 N ATOM 685 CA GLY A 177 9.645 -7.927 -7.554 1.00 0.00 C ATOM 686 C GLY A 177 9.348 -7.550 -9.007 1.00 0.00 C ATOM 687 O GLY A 177 9.437 -6.381 -9.379 1.00 0.00 O ATOM 0 H GLY A 177 8.230 -9.397 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.131 -7.238 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.712 -7.824 -7.359 1.00 0.00 H new ATOM 691 N LYS A 178 9.000 -8.562 -9.788 1.00 0.00 N ATOM 692 CA LYS A 178 8.689 -8.352 -11.191 1.00 0.00 C ATOM 693 C LYS A 178 7.647 -7.238 -11.317 1.00 0.00 C ATOM 694 O LYS A 178 6.518 -7.385 -10.852 1.00 0.00 O ATOM 695 CB LYS A 178 8.266 -9.666 -11.850 1.00 0.00 C ATOM 696 CG LYS A 178 9.463 -10.606 -12.014 1.00 0.00 C ATOM 697 CD LYS A 178 9.534 -11.159 -13.440 1.00 0.00 C ATOM 698 CE LYS A 178 10.569 -12.281 -13.541 1.00 0.00 C ATOM 699 NZ LYS A 178 10.632 -12.804 -14.924 1.00 0.00 N ATOM 0 H LYS A 178 8.927 -9.530 -9.475 1.00 0.00 H new ATOM 0 HA LYS A 178 9.576 -8.023 -11.732 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.499 -10.150 -11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.822 -9.462 -12.825 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.384 -10.072 -11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.383 -11.429 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 178 8.555 -11.534 -13.738 1.00 0.00 H new ATOM 0 HD3 LYS A 178 9.792 -10.358 -14.132 1.00 0.00 H new ATOM 0 HE2 LYS A 178 11.549 -11.908 -13.242 1.00 0.00 H new ATOM 0 HE3 LYS A 178 10.310 -13.086 -12.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 11.339 -13.565 -14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 9.701 -13.178 -15.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 10.901 -12.037 -15.573 1.00 0.00 H new ATOM 713 N ARG A 179 8.063 -6.151 -11.948 1.00 0.00 N ATOM 714 CA ARG A 179 7.179 -5.014 -12.141 1.00 0.00 C ATOM 715 C ARG A 179 6.354 -5.192 -13.417 1.00 0.00 C ATOM 716 O ARG A 179 6.911 -5.341 -14.504 1.00 0.00 O ATOM 717 CB ARG A 179 7.973 -3.709 -12.233 1.00 0.00 C ATOM 718 CG ARG A 179 9.133 -3.701 -11.235 1.00 0.00 C ATOM 719 CD ARG A 179 10.129 -2.586 -11.561 1.00 0.00 C ATOM 720 NE ARG A 179 11.506 -3.127 -11.578 1.00 0.00 N ATOM 721 CZ ARG A 179 12.607 -2.387 -11.390 1.00 0.00 C ATOM 722 NH1 ARG A 179 12.498 -1.070 -11.167 1.00 0.00 N ATOM 723 NH2 ARG A 179 13.816 -2.963 -11.424 1.00 0.00 N ATOM 0 H ARG A 179 9.000 -6.033 -12.332 1.00 0.00 H new ATOM 0 HA ARG A 179 6.514 -4.962 -11.279 1.00 0.00 H new ATOM 0 HB2 ARG A 179 8.358 -3.584 -13.245 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.314 -2.863 -12.037 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.747 -3.565 -10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.641 -4.665 -11.255 1.00 0.00 H new ATOM 0 HD2 ARG A 179 9.890 -2.146 -12.529 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.051 -1.790 -10.821 1.00 0.00 H new ATOM 0 HE ARG A 179 11.625 -4.127 -11.743 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.577 -0.632 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 179 13.336 -0.506 -11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 179 13.899 -3.965 -11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 179 14.654 -2.399 -11.281 1.00 0.00 H new ATOM 737 N GLY A 180 5.041 -5.171 -13.243 1.00 0.00 N ATOM 738 CA GLY A 180 4.135 -5.328 -14.368 1.00 0.00 C ATOM 739 C GLY A 180 2.781 -4.677 -14.076 1.00 0.00 C ATOM 740 O GLY A 180 2.648 -3.916 -13.120 1.00 0.00 O ATOM 0 H GLY A 180 4.583 -5.048 -12.340 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.574 -4.879 -15.259 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.995 -6.388 -14.582 1.00 0.00 H new ATOM 744 N MET A 181 1.811 -5.001 -14.919 1.00 0.00 N ATOM 745 CA MET A 181 0.473 -4.457 -14.764 1.00 0.00 C ATOM 746 C MET A 181 -0.457 -5.472 -14.095 1.00 0.00 C ATOM 747 O MET A 181 -0.501 -6.635 -14.494 1.00 0.00 O ATOM 748 CB MET A 181 -0.087 -4.079 -16.136 1.00 0.00 C ATOM 749 CG MET A 181 -0.740 -2.695 -16.099 1.00 0.00 C ATOM 750 SD MET A 181 -1.261 -2.223 -17.739 1.00 0.00 S ATOM 751 CE MET A 181 0.250 -1.492 -18.346 1.00 0.00 C ATOM 0 H MET A 181 1.925 -5.633 -15.711 1.00 0.00 H new ATOM 0 HA MET A 181 0.532 -3.572 -14.130 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.714 -4.087 -16.875 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.819 -4.822 -16.451 1.00 0.00 H new ATOM 0 HG2 MET A 181 -1.597 -2.706 -15.425 1.00 0.00 H new ATOM 0 HG3 MET A 181 -0.035 -1.962 -15.707 1.00 0.00 H new ATOM 0 HE1 MET A 181 0.100 -1.141 -19.367 1.00 0.00 H new ATOM 0 HE2 MET A 181 0.528 -0.651 -17.711 1.00 0.00 H new ATOM 0 HE3 MET A 181 1.046 -2.237 -18.331 1.00 0.00 H new ATOM 761 N ILE A 182 -1.176 -4.995 -13.090 1.00 0.00 N ATOM 762 CA ILE A 182 -2.103 -5.846 -12.363 1.00 0.00 C ATOM 763 C ILE A 182 -3.488 -5.196 -12.357 1.00 0.00 C ATOM 764 O ILE A 182 -3.603 -3.973 -12.311 1.00 0.00 O ATOM 765 CB ILE A 182 -1.562 -6.155 -10.965 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.829 -4.994 -10.005 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.078 -6.523 -11.021 1.00 0.00 C ATOM 768 CD1 ILE A 182 -1.076 -3.736 -10.442 1.00 0.00 C ATOM 0 H ILE A 182 -1.136 -4.030 -12.762 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.206 -6.810 -12.860 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.095 -7.023 -10.576 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -2.899 -4.787 -9.968 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -1.523 -5.273 -8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 182 0.282 -6.738 -10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 182 0.055 -7.403 -11.650 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.488 -5.690 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.283 -2.926 -9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -0.005 -3.939 -10.455 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.402 -3.445 -11.441 1.00 0.00 H new ATOM 780 N PRO A 183 -4.532 -6.067 -12.404 1.00 0.00 N ATOM 781 CA PRO A 183 -5.904 -5.592 -12.404 1.00 0.00 C ATOM 782 C PRO A 183 -6.320 -5.115 -11.010 1.00 0.00 C ATOM 783 O PRO A 183 -6.238 -5.871 -10.043 1.00 0.00 O ATOM 784 CB PRO A 183 -6.729 -6.768 -12.900 1.00 0.00 C ATOM 785 CG PRO A 183 -5.853 -7.998 -12.717 1.00 0.00 C ATOM 786 CD PRO A 183 -4.432 -7.523 -12.459 1.00 0.00 C ATOM 0 HA PRO A 183 -6.047 -4.723 -13.047 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.656 -6.861 -12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.006 -6.638 -13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.211 -8.601 -11.883 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -5.890 -8.628 -13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.042 -7.929 -11.525 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.757 -7.844 -13.252 1.00 0.00 H new ATOM 794 N VAL A 184 -6.756 -3.866 -10.952 1.00 0.00 N ATOM 795 CA VAL A 184 -7.184 -3.280 -9.693 1.00 0.00 C ATOM 796 C VAL A 184 -8.490 -3.940 -9.246 1.00 0.00 C ATOM 797 O VAL A 184 -8.761 -4.044 -8.051 1.00 0.00 O ATOM 798 CB VAL A 184 -7.300 -1.761 -9.835 1.00 0.00 C ATOM 799 CG1 VAL A 184 -8.223 -1.179 -8.763 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.921 -1.100 -9.788 1.00 0.00 C ATOM 0 H VAL A 184 -6.822 -3.243 -11.757 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.443 -3.465 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.741 -1.548 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -8.288 -0.098 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -9.217 -1.616 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.823 -1.408 -7.775 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -6.031 -0.020 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.441 -1.327 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.307 -1.481 -10.604 1.00 0.00 H new ATOM 810 N PRO A 185 -9.286 -4.381 -10.258 1.00 0.00 N ATOM 811 CA PRO A 185 -10.557 -5.029 -9.981 1.00 0.00 C ATOM 812 C PRO A 185 -10.347 -6.457 -9.477 1.00 0.00 C ATOM 813 O PRO A 185 -11.195 -7.002 -8.772 1.00 0.00 O ATOM 814 CB PRO A 185 -11.323 -4.968 -11.293 1.00 0.00 C ATOM 815 CG PRO A 185 -10.282 -4.710 -12.371 1.00 0.00 C ATOM 816 CD PRO A 185 -8.997 -4.276 -11.685 1.00 0.00 C ATOM 0 HA PRO A 185 -11.116 -4.536 -9.185 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -11.855 -5.901 -11.479 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.070 -4.174 -11.273 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.114 -5.610 -12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.627 -3.937 -13.058 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.161 -4.916 -11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.726 -3.257 -11.960 1.00 0.00 H new ATOM 824 N TYR A 186 -9.212 -7.024 -9.858 1.00 0.00 N ATOM 825 CA TYR A 186 -8.879 -8.379 -9.454 1.00 0.00 C ATOM 826 C TYR A 186 -7.905 -8.376 -8.274 1.00 0.00 C ATOM 827 O TYR A 186 -7.503 -9.435 -7.793 1.00 0.00 O ATOM 828 CB TYR A 186 -8.197 -9.025 -10.661 1.00 0.00 C ATOM 829 CG TYR A 186 -9.171 -9.595 -11.695 1.00 0.00 C ATOM 830 CD1 TYR A 186 -10.267 -8.857 -12.090 1.00 0.00 C ATOM 831 CD2 TYR A 186 -8.952 -10.848 -12.232 1.00 0.00 C ATOM 832 CE1 TYR A 186 -11.184 -9.394 -13.063 1.00 0.00 C ATOM 833 CE2 TYR A 186 -9.869 -11.384 -13.204 1.00 0.00 C ATOM 834 CZ TYR A 186 -10.939 -10.631 -13.572 1.00 0.00 C ATOM 835 OH TYR A 186 -11.805 -11.138 -14.490 1.00 0.00 O ATOM 0 H TYR A 186 -8.511 -6.569 -10.443 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.775 -8.917 -9.143 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.561 -8.284 -11.146 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.545 -9.825 -10.312 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -10.438 -7.877 -11.670 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.093 -11.426 -11.923 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -12.046 -8.827 -13.381 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -9.710 -12.363 -13.631 1.00 0.00 H new ATOM 0 HH TYR A 186 -11.504 -12.029 -14.767 1.00 0.00 H new ATOM 845 N VAL A 187 -7.552 -7.174 -7.843 1.00 0.00 N ATOM 846 CA VAL A 187 -6.632 -7.018 -6.728 1.00 0.00 C ATOM 847 C VAL A 187 -7.223 -6.033 -5.718 1.00 0.00 C ATOM 848 O VAL A 187 -8.006 -5.159 -6.085 1.00 0.00 O ATOM 849 CB VAL A 187 -5.255 -6.595 -7.243 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.816 -7.468 -8.419 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.245 -5.113 -7.625 1.00 0.00 C ATOM 0 H VAL A 187 -7.886 -6.298 -8.246 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.493 -7.967 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.537 -6.738 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.834 -7.145 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.764 -8.509 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.536 -7.373 -9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.255 -4.837 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -5.981 -4.934 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.492 -4.510 -6.751 1.00 0.00 H new ATOM 861 N GLU A 188 -6.825 -6.209 -4.466 1.00 0.00 N ATOM 862 CA GLU A 188 -7.306 -5.346 -3.401 1.00 0.00 C ATOM 863 C GLU A 188 -6.213 -4.359 -2.983 1.00 0.00 C ATOM 864 O GLU A 188 -5.050 -4.525 -3.349 1.00 0.00 O ATOM 865 CB GLU A 188 -7.788 -6.169 -2.205 1.00 0.00 C ATOM 866 CG GLU A 188 -9.174 -5.710 -1.748 1.00 0.00 C ATOM 867 CD GLU A 188 -10.180 -6.861 -1.807 1.00 0.00 C ATOM 868 OE1 GLU A 188 -9.900 -7.894 -1.162 1.00 0.00 O ATOM 869 OE2 GLU A 188 -11.206 -6.682 -2.499 1.00 0.00 O ATOM 0 H GLU A 188 -6.175 -6.936 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.157 -4.778 -3.776 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -7.821 -7.225 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -7.079 -6.072 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -9.116 -5.325 -0.730 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.516 -4.890 -2.380 1.00 0.00 H new ATOM 876 N LYS A 189 -6.625 -3.356 -2.223 1.00 0.00 N ATOM 877 CA LYS A 189 -5.696 -2.343 -1.752 1.00 0.00 C ATOM 878 C LYS A 189 -5.173 -2.740 -0.371 1.00 0.00 C ATOM 879 O LYS A 189 -5.941 -2.821 0.588 1.00 0.00 O ATOM 880 CB LYS A 189 -6.347 -0.959 -1.789 1.00 0.00 C ATOM 881 CG LYS A 189 -6.650 -0.533 -3.227 1.00 0.00 C ATOM 882 CD LYS A 189 -8.127 -0.748 -3.563 1.00 0.00 C ATOM 883 CE LYS A 189 -8.987 0.386 -2.999 1.00 0.00 C ATOM 884 NZ LYS A 189 -8.884 1.589 -3.854 1.00 0.00 N ATOM 0 H LYS A 189 -7.590 -3.223 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.833 -2.281 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -7.269 -0.971 -1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -5.685 -0.230 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -6.392 0.518 -3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -6.029 -1.104 -3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -8.254 -0.803 -4.644 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -8.462 -1.701 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -10.027 0.065 -2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -8.665 0.625 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -9.585 2.294 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -7.929 1.992 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -9.066 1.328 -4.844 1.00 0.00 H new