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 Set 1.1: A 171 ASN : amide:sc= -0.266 K(o=-0.7,f=-1.7) USER MOD Set 1.2: A 181 MET CE :methyl 152:sc= -0.437 (180deg=-1.92!) USER MOD Single : A 135 CYS SG : rot 180:sc= 0 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= 0 X(o=0,f=0) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 135 0.769 0.182 -0.441 1.00 0.00 N ATOM 2 CA CYS A 135 2.140 -0.198 -0.735 1.00 0.00 C ATOM 3 C CYS A 135 2.115 -1.486 -1.561 1.00 0.00 C ATOM 4 O CYS A 135 3.090 -1.815 -2.234 1.00 0.00 O ATOM 5 CB CYS A 135 2.970 -0.355 0.541 1.00 0.00 C ATOM 6 SG CYS A 135 3.873 1.197 0.895 1.00 0.00 S ATOM 0 HA CYS A 135 2.623 0.592 -1.310 1.00 0.00 H new ATOM 0 HB2 CYS A 135 2.320 -0.606 1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 135 3.675 -1.178 0.427 1.00 0.00 H new ATOM 0 HG CYS A 135 4.573 1.054 1.981 1.00 0.00 H new ATOM 12 N TYR A 136 0.988 -2.179 -1.483 1.00 0.00 N ATOM 13 CA TYR A 136 0.823 -3.423 -2.215 1.00 0.00 C ATOM 14 C TYR A 136 -0.646 -3.656 -2.577 1.00 0.00 C ATOM 15 O TYR A 136 -1.512 -2.863 -2.212 1.00 0.00 O ATOM 16 CB TYR A 136 1.284 -4.533 -1.270 1.00 0.00 C ATOM 17 CG TYR A 136 2.640 -4.267 -0.613 1.00 0.00 C ATOM 18 CD1 TYR A 136 3.805 -4.607 -1.271 1.00 0.00 C ATOM 19 CD2 TYR A 136 2.698 -3.688 0.638 1.00 0.00 C ATOM 20 CE1 TYR A 136 5.080 -4.356 -0.653 1.00 0.00 C ATOM 21 CE2 TYR A 136 3.974 -3.438 1.258 1.00 0.00 C ATOM 22 CZ TYR A 136 5.102 -3.784 0.581 1.00 0.00 C ATOM 23 OH TYR A 136 6.307 -3.547 1.166 1.00 0.00 O ATOM 0 H TYR A 136 0.181 -1.902 -0.924 1.00 0.00 H new ATOM 0 HA TYR A 136 1.394 -3.400 -3.143 1.00 0.00 H new ATOM 0 HB2 TYR A 136 0.534 -4.667 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 136 1.338 -5.470 -1.825 1.00 0.00 H new ATOM 0 HD1 TYR A 136 3.759 -5.061 -2.250 1.00 0.00 H new ATOM 0 HD2 TYR A 136 1.786 -3.422 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 136 5.999 -4.616 -1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 136 4.034 -2.986 2.237 1.00 0.00 H new ATOM 0 HH TYR A 136 6.169 -3.134 2.044 1.00 0.00 H new ATOM 33 N VAL A 137 -0.881 -4.747 -3.291 1.00 0.00 N ATOM 34 CA VAL A 137 -2.229 -5.093 -3.706 1.00 0.00 C ATOM 35 C VAL A 137 -2.396 -6.614 -3.666 1.00 0.00 C ATOM 36 O VAL A 137 -1.480 -7.352 -4.024 1.00 0.00 O ATOM 37 CB VAL A 137 -2.522 -4.496 -5.085 1.00 0.00 C ATOM 38 CG1 VAL A 137 -2.709 -2.980 -4.997 1.00 0.00 C ATOM 39 CG2 VAL A 137 -1.421 -4.858 -6.084 1.00 0.00 C ATOM 0 H VAL A 137 -0.160 -5.403 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.961 -4.667 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 137 -3.456 -4.927 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -2.916 -2.581 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.544 -2.754 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.800 -2.523 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -1.653 -4.422 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.466 -4.469 -5.730 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.358 -5.942 -6.179 1.00 0.00 H new ATOM 49 N ARG A 138 -3.573 -7.036 -3.225 1.00 0.00 N ATOM 50 CA ARG A 138 -3.871 -8.455 -3.132 1.00 0.00 C ATOM 51 C ARG A 138 -4.702 -8.903 -4.337 1.00 0.00 C ATOM 52 O ARG A 138 -5.856 -8.505 -4.480 1.00 0.00 O ATOM 53 CB ARG A 138 -4.636 -8.774 -1.847 1.00 0.00 C ATOM 54 CG ARG A 138 -4.289 -10.173 -1.334 1.00 0.00 C ATOM 55 CD ARG A 138 -4.826 -10.388 0.082 1.00 0.00 C ATOM 56 NE ARG A 138 -6.303 -10.490 0.053 1.00 0.00 N ATOM 57 CZ ARG A 138 -7.031 -11.111 0.990 1.00 0.00 C ATOM 58 NH1 ARG A 138 -6.424 -11.689 2.036 1.00 0.00 N ATOM 59 NH2 ARG A 138 -8.365 -11.154 0.881 1.00 0.00 N ATOM 0 H ARG A 138 -4.330 -6.420 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 138 -2.923 -8.993 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -4.397 -8.033 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -5.708 -8.706 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -4.709 -10.924 -2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -3.207 -10.309 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -4.399 -11.296 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -4.523 -9.561 0.724 1.00 0.00 H new ATOM 0 HE ARG A 138 -6.797 -10.061 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -5.408 -11.656 2.118 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -6.978 -12.162 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -8.826 -10.714 0.085 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -8.920 -11.627 1.594 1.00 0.00 H new ATOM 73 N ALA A 139 -4.081 -9.724 -5.171 1.00 0.00 N ATOM 74 CA ALA A 139 -4.748 -10.229 -6.358 1.00 0.00 C ATOM 75 C ALA A 139 -5.663 -11.393 -5.968 1.00 0.00 C ATOM 76 O ALA A 139 -5.186 -12.455 -5.571 1.00 0.00 O ATOM 77 CB ALA A 139 -3.703 -10.633 -7.400 1.00 0.00 C ATOM 0 H ALA A 139 -3.123 -10.052 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 139 -5.371 -9.455 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -4.205 -11.012 -8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -3.099 -9.765 -7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -3.060 -11.410 -6.988 1.00 0.00 H new ATOM 83 N LEU A 140 -6.960 -11.152 -6.096 1.00 0.00 N ATOM 84 CA LEU A 140 -7.944 -12.167 -5.761 1.00 0.00 C ATOM 85 C LEU A 140 -8.265 -12.992 -7.009 1.00 0.00 C ATOM 86 O LEU A 140 -9.328 -13.604 -7.096 1.00 0.00 O ATOM 87 CB LEU A 140 -9.175 -11.526 -5.114 1.00 0.00 C ATOM 88 CG LEU A 140 -8.899 -10.382 -4.137 1.00 0.00 C ATOM 89 CD1 LEU A 140 -7.582 -10.602 -3.392 1.00 0.00 C ATOM 90 CD2 LEU A 140 -8.934 -9.030 -4.852 1.00 0.00 C ATOM 0 H LEU A 140 -7.351 -10.270 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 140 -7.543 -12.856 -5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -9.824 -11.153 -5.906 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -9.730 -12.302 -4.587 1.00 0.00 H new ATOM 0 HG LEU A 140 -9.693 -10.372 -3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -7.410 -9.774 -2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -7.633 -11.535 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -6.763 -10.654 -4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -8.735 -8.234 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -8.175 -9.012 -5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -9.917 -8.879 -5.297 1.00 0.00 H new ATOM 102 N PHE A 141 -7.326 -12.981 -7.943 1.00 0.00 N ATOM 103 CA PHE A 141 -7.496 -13.721 -9.183 1.00 0.00 C ATOM 104 C PHE A 141 -6.151 -14.238 -9.700 1.00 0.00 C ATOM 105 O PHE A 141 -5.102 -13.685 -9.373 1.00 0.00 O ATOM 106 CB PHE A 141 -8.082 -12.748 -10.207 1.00 0.00 C ATOM 107 CG PHE A 141 -9.581 -12.492 -10.033 1.00 0.00 C ATOM 108 CD1 PHE A 141 -10.009 -11.500 -9.206 1.00 0.00 C ATOM 109 CD2 PHE A 141 -10.484 -13.253 -10.705 1.00 0.00 C ATOM 110 CE1 PHE A 141 -11.400 -11.261 -9.044 1.00 0.00 C ATOM 111 CE2 PHE A 141 -11.875 -13.014 -10.543 1.00 0.00 C ATOM 112 CZ PHE A 141 -12.303 -12.023 -9.716 1.00 0.00 C ATOM 0 H PHE A 141 -6.445 -12.472 -7.867 1.00 0.00 H new ATOM 0 HA PHE A 141 -8.147 -14.580 -9.019 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -7.551 -11.799 -10.137 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.904 -13.139 -11.209 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.291 -10.894 -8.673 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -10.144 -14.040 -11.362 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -11.740 -10.474 -8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -12.593 -13.619 -11.077 1.00 0.00 H new ATOM 0 HZ PHE A 141 -13.360 -11.841 -9.593 1.00 0.00 H new ATOM 122 N ASP A 142 -6.228 -15.292 -10.498 1.00 0.00 N ATOM 123 CA ASP A 142 -5.030 -15.891 -11.065 1.00 0.00 C ATOM 124 C ASP A 142 -4.840 -15.383 -12.495 1.00 0.00 C ATOM 125 O ASP A 142 -5.761 -15.445 -13.308 1.00 0.00 O ATOM 126 CB ASP A 142 -5.147 -17.415 -11.115 1.00 0.00 C ATOM 127 CG ASP A 142 -6.579 -17.953 -11.169 1.00 0.00 C ATOM 128 OD1 ASP A 142 -7.192 -18.044 -10.083 1.00 0.00 O ATOM 129 OD2 ASP A 142 -7.027 -18.260 -12.295 1.00 0.00 O ATOM 0 H ASP A 142 -7.100 -15.747 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 142 -4.184 -15.616 -10.435 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -4.606 -17.777 -11.989 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -4.651 -17.831 -10.238 1.00 0.00 H new ATOM 134 N PHE A 143 -3.637 -14.893 -12.760 1.00 0.00 N ATOM 135 CA PHE A 143 -3.313 -14.375 -14.078 1.00 0.00 C ATOM 136 C PHE A 143 -1.800 -14.236 -14.256 1.00 0.00 C ATOM 137 O PHE A 143 -1.140 -13.554 -13.473 1.00 0.00 O ATOM 138 CB PHE A 143 -3.958 -12.992 -14.186 1.00 0.00 C ATOM 139 CG PHE A 143 -4.486 -12.658 -15.583 1.00 0.00 C ATOM 140 CD1 PHE A 143 -5.243 -13.565 -16.258 1.00 0.00 C ATOM 141 CD2 PHE A 143 -4.199 -11.456 -16.149 1.00 0.00 C ATOM 142 CE1 PHE A 143 -5.733 -13.256 -17.555 1.00 0.00 C ATOM 143 CE2 PHE A 143 -4.690 -11.147 -17.445 1.00 0.00 C ATOM 144 CZ PHE A 143 -5.446 -12.054 -18.121 1.00 0.00 C ATOM 0 H PHE A 143 -2.875 -14.844 -12.084 1.00 0.00 H new ATOM 0 HA PHE A 143 -3.680 -15.056 -14.846 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -4.781 -12.930 -13.474 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -3.227 -12.238 -13.895 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -5.471 -14.520 -15.808 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.598 -10.736 -15.613 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -6.333 -13.976 -18.091 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.463 -10.191 -17.894 1.00 0.00 H new ATOM 0 HZ PHE A 143 -5.818 -11.819 -19.107 1.00 0.00 H new ATOM 243 N LEU A 151 1.280 -8.325 -15.131 1.00 0.00 N ATOM 244 CA LEU A 151 2.157 -9.046 -14.223 1.00 0.00 C ATOM 245 C LEU A 151 1.519 -10.388 -13.861 1.00 0.00 C ATOM 246 O LEU A 151 0.339 -10.446 -13.521 1.00 0.00 O ATOM 247 CB LEU A 151 2.500 -8.180 -13.009 1.00 0.00 C ATOM 248 CG LEU A 151 3.650 -8.679 -12.132 1.00 0.00 C ATOM 249 CD1 LEU A 151 5.001 -8.408 -12.795 1.00 0.00 C ATOM 250 CD2 LEU A 151 3.570 -8.078 -10.728 1.00 0.00 C ATOM 0 HA LEU A 151 3.108 -9.266 -14.707 1.00 0.00 H new ATOM 0 HB2 LEU A 151 2.746 -7.178 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 151 1.609 -8.090 -12.388 1.00 0.00 H new ATOM 0 HG LEU A 151 3.554 -9.759 -12.025 1.00 0.00 H new ATOM 0 HD11 LEU A 151 5.802 -8.772 -12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 151 5.045 -8.922 -13.755 1.00 0.00 H new ATOM 0 HD13 LEU A 151 5.121 -7.336 -12.952 1.00 0.00 H new ATOM 0 HD21 LEU A 151 4.399 -8.449 -10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 151 3.627 -6.991 -10.794 1.00 0.00 H new ATOM 0 HD23 LEU A 151 2.627 -8.364 -10.263 1.00 0.00 H new ATOM 262 N PRO A 152 2.349 -11.462 -13.950 1.00 0.00 N ATOM 263 CA PRO A 152 1.878 -12.799 -13.636 1.00 0.00 C ATOM 264 C PRO A 152 1.737 -12.991 -12.124 1.00 0.00 C ATOM 265 O PRO A 152 2.619 -12.603 -11.360 1.00 0.00 O ATOM 266 CB PRO A 152 2.903 -13.734 -14.258 1.00 0.00 C ATOM 267 CG PRO A 152 4.146 -12.892 -14.494 1.00 0.00 C ATOM 268 CD PRO A 152 3.753 -11.431 -14.350 1.00 0.00 C ATOM 0 HA PRO A 152 0.883 -12.997 -14.034 1.00 0.00 H new ATOM 0 HB2 PRO A 152 3.119 -14.572 -13.596 1.00 0.00 H new ATOM 0 HB3 PRO A 152 2.532 -14.154 -15.193 1.00 0.00 H new ATOM 0 HG2 PRO A 152 4.924 -13.151 -13.776 1.00 0.00 H new ATOM 0 HG3 PRO A 152 4.553 -13.082 -15.487 1.00 0.00 H new ATOM 0 HD2 PRO A 152 4.367 -10.928 -13.603 1.00 0.00 H new ATOM 0 HD3 PRO A 152 3.886 -10.891 -15.288 1.00 0.00 H new ATOM 276 N PHE A 153 0.618 -13.587 -11.737 1.00 0.00 N ATOM 277 CA PHE A 153 0.350 -13.833 -10.331 1.00 0.00 C ATOM 278 C PHE A 153 -0.654 -14.975 -10.157 1.00 0.00 C ATOM 279 O PHE A 153 -1.100 -15.569 -11.137 1.00 0.00 O ATOM 280 CB PHE A 153 -0.253 -12.549 -9.759 1.00 0.00 C ATOM 281 CG PHE A 153 -1.458 -12.024 -10.543 1.00 0.00 C ATOM 282 CD1 PHE A 153 -2.613 -12.741 -10.575 1.00 0.00 C ATOM 283 CD2 PHE A 153 -1.373 -10.841 -11.207 1.00 0.00 C ATOM 284 CE1 PHE A 153 -3.731 -12.253 -11.302 1.00 0.00 C ATOM 285 CE2 PHE A 153 -2.491 -10.353 -11.934 1.00 0.00 C ATOM 286 CZ PHE A 153 -3.647 -11.070 -11.967 1.00 0.00 C ATOM 0 H PHE A 153 -0.113 -13.906 -12.373 1.00 0.00 H new ATOM 0 HA PHE A 153 1.271 -14.113 -9.820 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -0.555 -12.730 -8.727 1.00 0.00 H new ATOM 0 HB3 PHE A 153 0.517 -11.777 -9.736 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -2.680 -13.681 -10.048 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -0.455 -10.272 -11.182 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -4.649 -12.822 -11.327 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -2.424 -9.413 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 153 -4.497 -10.700 -12.521 1.00 0.00 H new ATOM 296 N LYS A 154 -0.979 -15.248 -8.902 1.00 0.00 N ATOM 297 CA LYS A 154 -1.922 -16.308 -8.587 1.00 0.00 C ATOM 298 C LYS A 154 -3.003 -15.761 -7.652 1.00 0.00 C ATOM 299 O LYS A 154 -2.718 -14.948 -6.774 1.00 0.00 O ATOM 300 CB LYS A 154 -1.188 -17.530 -8.030 1.00 0.00 C ATOM 301 CG LYS A 154 -1.952 -18.139 -6.852 1.00 0.00 C ATOM 302 CD LYS A 154 -1.445 -19.549 -6.541 1.00 0.00 C ATOM 303 CE LYS A 154 -0.884 -19.627 -5.120 1.00 0.00 C ATOM 304 NZ LYS A 154 -1.835 -20.322 -4.224 1.00 0.00 N ATOM 0 H LYS A 154 -0.606 -14.754 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.425 -16.652 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.069 -18.276 -8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -0.187 -17.242 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -1.837 -17.505 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -3.017 -18.174 -7.083 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -2.259 -20.265 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -0.672 -19.828 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 154 0.069 -20.155 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.689 -18.623 -4.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -1.438 -20.366 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -2.735 -19.802 -4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.000 -21.287 -4.575 1.00 0.00 H new ATOM 318 N LYS A 155 -4.222 -16.231 -7.871 1.00 0.00 N ATOM 319 CA LYS A 155 -5.348 -15.799 -7.059 1.00 0.00 C ATOM 320 C LYS A 155 -4.971 -15.896 -5.580 1.00 0.00 C ATOM 321 O LYS A 155 -4.670 -16.980 -5.082 1.00 0.00 O ATOM 322 CB LYS A 155 -6.606 -16.588 -7.426 1.00 0.00 C ATOM 323 CG LYS A 155 -7.820 -16.080 -6.644 1.00 0.00 C ATOM 324 CD LYS A 155 -8.510 -17.224 -5.899 1.00 0.00 C ATOM 325 CE LYS A 155 -7.634 -17.742 -4.757 1.00 0.00 C ATOM 326 NZ LYS A 155 -8.221 -18.967 -4.168 1.00 0.00 N ATOM 0 H LYS A 155 -4.455 -16.907 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 155 -5.585 -14.754 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -6.795 -16.500 -8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -6.450 -17.646 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -7.505 -15.316 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -8.526 -15.608 -7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -9.465 -16.880 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -8.727 -18.036 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -6.631 -17.954 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -7.535 -16.974 -3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -7.614 -19.305 -3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -9.169 -18.754 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -8.293 -19.703 -4.899 1.00 0.00 H new ATOM 340 N GLY A 156 -4.998 -14.749 -4.918 1.00 0.00 N ATOM 341 CA GLY A 156 -4.663 -14.690 -3.506 1.00 0.00 C ATOM 342 C GLY A 156 -3.175 -14.398 -3.308 1.00 0.00 C ATOM 343 O GLY A 156 -2.526 -15.010 -2.461 1.00 0.00 O ATOM 0 H GLY A 156 -5.247 -13.852 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.257 -13.916 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.919 -15.636 -3.028 1.00 0.00 H new ATOM 347 N ASP A 157 -2.677 -13.462 -4.102 1.00 0.00 N ATOM 348 CA ASP A 157 -1.277 -13.082 -4.024 1.00 0.00 C ATOM 349 C ASP A 157 -1.176 -11.585 -3.722 1.00 0.00 C ATOM 350 O ASP A 157 -2.180 -10.874 -3.747 1.00 0.00 O ATOM 351 CB ASP A 157 -0.560 -13.346 -5.349 1.00 0.00 C ATOM 352 CG ASP A 157 0.961 -13.181 -5.307 1.00 0.00 C ATOM 353 OD1 ASP A 157 1.632 -14.190 -5.003 1.00 0.00 O ATOM 354 OD2 ASP A 157 1.417 -12.050 -5.578 1.00 0.00 O ATOM 0 H ASP A 157 -3.218 -12.955 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 157 -0.810 -13.674 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -0.791 -14.360 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -0.963 -12.670 -6.103 1.00 0.00 H new ATOM 359 N ILE A 158 0.045 -11.151 -3.444 1.00 0.00 N ATOM 360 CA ILE A 158 0.289 -9.752 -3.137 1.00 0.00 C ATOM 361 C ILE A 158 1.263 -9.172 -4.164 1.00 0.00 C ATOM 362 O ILE A 158 2.134 -9.879 -4.668 1.00 0.00 O ATOM 363 CB ILE A 158 0.758 -9.595 -1.689 1.00 0.00 C ATOM 364 CG1 ILE A 158 -0.408 -9.771 -0.714 1.00 0.00 C ATOM 365 CG2 ILE A 158 1.476 -8.259 -1.487 1.00 0.00 C ATOM 366 CD1 ILE A 158 -0.706 -11.254 -0.478 1.00 0.00 C ATOM 0 H ILE A 158 0.875 -11.743 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 158 -0.635 -9.179 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 158 1.479 -10.384 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -0.170 -9.289 0.234 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -1.295 -9.276 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 158 1.799 -8.173 -0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 158 2.345 -8.210 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 158 0.796 -7.441 -1.724 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -1.539 -11.351 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -0.967 -11.728 -1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 158 0.175 -11.740 -0.060 1.00 0.00 H new ATOM 378 N LEU A 159 1.084 -7.889 -4.444 1.00 0.00 N ATOM 379 CA LEU A 159 1.936 -7.207 -5.403 1.00 0.00 C ATOM 380 C LEU A 159 2.181 -5.772 -4.929 1.00 0.00 C ATOM 381 O LEU A 159 1.271 -5.118 -4.424 1.00 0.00 O ATOM 382 CB LEU A 159 1.339 -7.296 -6.809 1.00 0.00 C ATOM 383 CG LEU A 159 0.672 -8.623 -7.171 1.00 0.00 C ATOM 384 CD1 LEU A 159 -0.331 -8.440 -8.312 1.00 0.00 C ATOM 385 CD2 LEU A 159 1.717 -9.693 -7.495 1.00 0.00 C ATOM 0 H LEU A 159 0.362 -7.304 -4.024 1.00 0.00 H new ATOM 0 HA LEU A 159 2.909 -7.695 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.603 -6.500 -6.921 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.131 -7.101 -7.532 1.00 0.00 H new ATOM 0 HG LEU A 159 0.113 -8.971 -6.302 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -0.791 -9.399 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -1.103 -7.733 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.185 -8.057 -9.192 1.00 0.00 H new ATOM 0 HD21 LEU A 159 1.215 -10.627 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 159 2.323 -9.366 -8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 159 2.358 -9.850 -6.627 1.00 0.00 H new ATOM 397 N ARG A 160 3.417 -5.327 -5.109 1.00 0.00 N ATOM 398 CA ARG A 160 3.794 -3.983 -4.706 1.00 0.00 C ATOM 399 C ARG A 160 3.441 -2.981 -5.807 1.00 0.00 C ATOM 400 O ARG A 160 4.160 -2.862 -6.797 1.00 0.00 O ATOM 401 CB ARG A 160 5.292 -3.897 -4.409 1.00 0.00 C ATOM 402 CG ARG A 160 5.679 -2.493 -3.940 1.00 0.00 C ATOM 403 CD ARG A 160 6.715 -2.556 -2.816 1.00 0.00 C ATOM 404 NE ARG A 160 7.513 -1.310 -2.794 1.00 0.00 N ATOM 405 CZ ARG A 160 8.202 -0.879 -1.728 1.00 0.00 C ATOM 406 NH1 ARG A 160 8.195 -1.590 -0.593 1.00 0.00 N ATOM 407 NH2 ARG A 160 8.898 0.264 -1.798 1.00 0.00 N ATOM 0 H ARG A 160 4.169 -5.874 -5.528 1.00 0.00 H new ATOM 0 HA ARG A 160 3.241 -3.741 -3.798 1.00 0.00 H new ATOM 0 HB2 ARG A 160 5.557 -4.626 -3.643 1.00 0.00 H new ATOM 0 HB3 ARG A 160 5.859 -4.154 -5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 160 6.081 -1.924 -4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 160 4.791 -1.965 -3.592 1.00 0.00 H new ATOM 0 HD2 ARG A 160 6.216 -2.695 -1.857 1.00 0.00 H new ATOM 0 HD3 ARG A 160 7.370 -3.415 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 160 7.540 -0.744 -3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 160 7.665 -2.460 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 160 8.719 -1.262 0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 160 8.903 0.806 -2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 160 9.422 0.592 -0.987 1.00 0.00 H new ATOM 421 N ILE A 161 2.333 -2.284 -5.595 1.00 0.00 N ATOM 422 CA ILE A 161 1.875 -1.296 -6.557 1.00 0.00 C ATOM 423 C ILE A 161 2.620 0.020 -6.322 1.00 0.00 C ATOM 424 O ILE A 161 2.575 0.575 -5.226 1.00 0.00 O ATOM 425 CB ILE A 161 0.352 -1.159 -6.501 1.00 0.00 C ATOM 426 CG1 ILE A 161 -0.212 -0.748 -7.863 1.00 0.00 C ATOM 427 CG2 ILE A 161 -0.072 -0.197 -5.390 1.00 0.00 C ATOM 428 CD1 ILE A 161 -1.087 -1.855 -8.451 1.00 0.00 C ATOM 0 H ILE A 161 1.740 -2.384 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 161 2.105 -1.617 -7.573 1.00 0.00 H new ATOM 0 HB ILE A 161 -0.070 -2.134 -6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -0.797 0.165 -7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 161 0.607 -0.525 -8.547 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -1.159 -0.118 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE A 161 0.280 -0.573 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 161 0.360 0.786 -5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -1.475 -1.537 -9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -0.493 -2.760 -8.578 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -1.918 -2.059 -7.776 1.00 0.00 H new ATOM 440 N ARG A 162 3.287 0.480 -7.370 1.00 0.00 N ATOM 441 CA ARG A 162 4.040 1.720 -7.292 1.00 0.00 C ATOM 442 C ARG A 162 3.495 2.736 -8.298 1.00 0.00 C ATOM 443 O ARG A 162 3.618 3.943 -8.094 1.00 0.00 O ATOM 444 CB ARG A 162 5.525 1.482 -7.572 1.00 0.00 C ATOM 445 CG ARG A 162 5.732 0.893 -8.970 1.00 0.00 C ATOM 446 CD ARG A 162 7.193 0.499 -9.188 1.00 0.00 C ATOM 447 NE ARG A 162 7.757 1.255 -10.330 1.00 0.00 N ATOM 448 CZ ARG A 162 7.266 1.209 -11.576 1.00 0.00 C ATOM 449 NH1 ARG A 162 6.201 0.443 -11.849 1.00 0.00 N ATOM 450 NH2 ARG A 162 7.841 1.929 -12.549 1.00 0.00 N ATOM 0 H ARG A 162 3.322 0.016 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 162 3.931 2.110 -6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 162 6.070 2.422 -7.485 1.00 0.00 H new ATOM 0 HB3 ARG A 162 5.936 0.805 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 162 5.093 0.019 -9.099 1.00 0.00 H new ATOM 0 HG3 ARG A 162 5.432 1.621 -9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 162 7.771 0.701 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.265 -0.572 -9.379 1.00 0.00 H new ATOM 0 HE ARG A 162 8.569 1.847 -10.157 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.764 -0.105 -11.108 1.00 0.00 H new ATOM 0 HH12 ARG A 162 5.827 0.408 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 162 8.652 2.512 -12.341 1.00 0.00 H new ATOM 0 HH22 ARG A 162 7.468 1.894 -13.498 1.00 0.00 H new ATOM 464 N ASP A 163 2.905 2.210 -9.362 1.00 0.00 N ATOM 465 CA ASP A 163 2.341 3.056 -10.399 1.00 0.00 C ATOM 466 C ASP A 163 0.860 2.718 -10.578 1.00 0.00 C ATOM 467 O ASP A 163 0.435 1.602 -10.285 1.00 0.00 O ATOM 468 CB ASP A 163 3.044 2.827 -11.739 1.00 0.00 C ATOM 469 CG ASP A 163 3.761 4.051 -12.311 1.00 0.00 C ATOM 470 OD1 ASP A 163 4.234 4.866 -11.490 1.00 0.00 O ATOM 471 OD2 ASP A 163 3.821 4.143 -13.557 1.00 0.00 O ATOM 0 H ASP A 163 2.806 1.208 -9.528 1.00 0.00 H new ATOM 0 HA ASP A 163 2.472 4.095 -10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 163 3.770 2.023 -11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 163 2.307 2.484 -12.465 1.00 0.00 H new ATOM 476 N LYS A 164 0.115 3.704 -11.057 1.00 0.00 N ATOM 477 CA LYS A 164 -1.311 3.525 -11.277 1.00 0.00 C ATOM 478 C LYS A 164 -1.835 4.670 -12.145 1.00 0.00 C ATOM 479 O LYS A 164 -2.560 5.539 -11.661 1.00 0.00 O ATOM 480 CB LYS A 164 -2.044 3.378 -9.943 1.00 0.00 C ATOM 481 CG LYS A 164 -1.812 4.599 -9.051 1.00 0.00 C ATOM 482 CD LYS A 164 -2.172 4.291 -7.596 1.00 0.00 C ATOM 483 CE LYS A 164 -0.983 3.678 -6.854 1.00 0.00 C ATOM 484 NZ LYS A 164 -0.130 4.740 -6.275 1.00 0.00 N ATOM 0 H LYS A 164 0.471 4.629 -11.299 1.00 0.00 H new ATOM 0 HA LYS A 164 -1.500 2.600 -11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -3.112 3.253 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -1.699 2.479 -9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -0.768 4.907 -9.114 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -2.413 5.435 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -2.486 5.206 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -3.018 3.604 -7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.341 3.019 -6.063 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -0.397 3.065 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 0.672 4.307 -5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 0.226 5.353 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -0.689 5.308 -5.606 1.00 0.00 H new ATOM 498 N PRO A 165 -1.440 4.634 -13.446 1.00 0.00 N ATOM 499 CA PRO A 165 -1.862 5.659 -14.385 1.00 0.00 C ATOM 500 C PRO A 165 -3.325 5.462 -14.789 1.00 0.00 C ATOM 501 O PRO A 165 -4.065 6.432 -14.943 1.00 0.00 O ATOM 502 CB PRO A 165 -0.902 5.538 -15.557 1.00 0.00 C ATOM 503 CG PRO A 165 -0.275 4.158 -15.442 1.00 0.00 C ATOM 504 CD PRO A 165 -0.583 3.621 -14.054 1.00 0.00 C ATOM 0 HA PRO A 165 -1.825 6.661 -13.959 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -1.427 5.650 -16.505 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -0.141 6.317 -15.520 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -0.675 3.492 -16.207 1.00 0.00 H new ATOM 0 HG3 PRO A 165 0.802 4.214 -15.600 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -1.087 2.656 -14.106 1.00 0.00 H new ATOM 0 HD3 PRO A 165 0.329 3.474 -13.475 1.00 0.00 H new ATOM 512 N GLU A 166 -3.698 4.201 -14.949 1.00 0.00 N ATOM 513 CA GLU A 166 -5.058 3.865 -15.332 1.00 0.00 C ATOM 514 C GLU A 166 -5.953 3.785 -14.094 1.00 0.00 C ATOM 515 O GLU A 166 -5.501 4.037 -12.978 1.00 0.00 O ATOM 516 CB GLU A 166 -5.098 2.555 -16.121 1.00 0.00 C ATOM 517 CG GLU A 166 -4.179 2.623 -17.343 1.00 0.00 C ATOM 518 CD GLU A 166 -3.183 1.462 -17.345 1.00 0.00 C ATOM 519 OE1 GLU A 166 -2.173 1.579 -16.620 1.00 0.00 O ATOM 520 OE2 GLU A 166 -3.455 0.483 -18.073 1.00 0.00 O ATOM 0 H GLU A 166 -3.081 3.399 -14.820 1.00 0.00 H new ATOM 0 HA GLU A 166 -5.437 4.654 -15.981 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -4.793 1.729 -15.478 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -6.120 2.350 -16.441 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -4.777 2.596 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -3.639 3.570 -17.344 1.00 0.00 H new ATOM 527 N GLU A 167 -7.209 3.435 -14.332 1.00 0.00 N ATOM 528 CA GLU A 167 -8.172 3.320 -13.249 1.00 0.00 C ATOM 529 C GLU A 167 -8.615 1.864 -13.087 1.00 0.00 C ATOM 530 O GLU A 167 -9.638 1.589 -12.461 1.00 0.00 O ATOM 531 CB GLU A 167 -9.375 4.236 -13.486 1.00 0.00 C ATOM 532 CG GLU A 167 -8.983 5.706 -13.327 1.00 0.00 C ATOM 533 CD GLU A 167 -10.223 6.595 -13.208 1.00 0.00 C ATOM 534 OE1 GLU A 167 -10.933 6.443 -12.191 1.00 0.00 O ATOM 535 OE2 GLU A 167 -10.432 7.405 -14.137 1.00 0.00 O ATOM 0 H GLU A 167 -7.582 3.227 -15.258 1.00 0.00 H new ATOM 0 HA GLU A 167 -7.691 3.639 -12.324 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.773 4.068 -14.487 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.169 3.989 -12.781 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -8.359 5.826 -12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -8.386 6.021 -14.183 1.00 0.00 H new ATOM 542 N GLN A 168 -7.824 0.970 -13.661 1.00 0.00 N ATOM 543 CA GLN A 168 -8.122 -0.450 -13.588 1.00 0.00 C ATOM 544 C GLN A 168 -6.832 -1.268 -13.676 1.00 0.00 C ATOM 545 O GLN A 168 -6.675 -2.266 -12.974 1.00 0.00 O ATOM 546 CB GLN A 168 -9.108 -0.861 -14.682 1.00 0.00 C ATOM 547 CG GLN A 168 -10.448 -0.141 -14.511 1.00 0.00 C ATOM 548 CD GLN A 168 -11.560 -0.862 -15.276 1.00 0.00 C ATOM 549 OE1 GLN A 168 -11.822 -0.599 -16.439 1.00 0.00 O ATOM 550 NE2 GLN A 168 -12.196 -1.785 -14.561 1.00 0.00 N ATOM 0 H GLN A 168 -6.976 1.202 -14.179 1.00 0.00 H new ATOM 0 HA GLN A 168 -8.593 -0.653 -12.626 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -8.688 -0.629 -15.661 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -9.264 -1.939 -14.650 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.704 -0.089 -13.453 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.362 0.885 -14.869 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.926 -1.955 -13.592 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.954 -2.323 -14.981 1.00 0.00 H new ATOM 559 N TRP A 169 -5.940 -0.816 -14.547 1.00 0.00 N ATOM 560 CA TRP A 169 -4.670 -1.494 -14.736 1.00 0.00 C ATOM 561 C TRP A 169 -3.574 -0.629 -14.108 1.00 0.00 C ATOM 562 O TRP A 169 -3.268 0.452 -14.609 1.00 0.00 O ATOM 563 CB TRP A 169 -4.422 -1.790 -16.217 1.00 0.00 C ATOM 564 CG TRP A 169 -5.151 -3.033 -16.733 1.00 0.00 C ATOM 565 CD1 TRP A 169 -6.292 -3.087 -17.434 1.00 0.00 C ATOM 566 CD2 TRP A 169 -4.739 -4.405 -16.560 1.00 0.00 C ATOM 567 NE1 TRP A 169 -6.644 -4.390 -17.723 1.00 0.00 N ATOM 568 CE2 TRP A 169 -5.671 -5.217 -17.175 1.00 0.00 C ATOM 569 CE3 TRP A 169 -3.618 -4.942 -15.905 1.00 0.00 C ATOM 570 CZ2 TRP A 169 -5.575 -6.613 -17.196 1.00 0.00 C ATOM 571 CZ3 TRP A 169 -3.537 -6.340 -15.934 1.00 0.00 C ATOM 572 CH2 TRP A 169 -4.465 -7.171 -16.550 1.00 0.00 C ATOM 0 H TRP A 169 -6.073 0.011 -15.129 1.00 0.00 H new ATOM 0 HA TRP A 169 -4.674 -2.465 -14.241 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -4.733 -0.928 -16.807 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -3.351 -1.916 -16.378 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -6.863 -2.221 -17.735 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -7.468 -4.691 -18.244 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -2.877 -4.325 -15.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -6.317 -7.227 -17.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -2.694 -6.805 -15.443 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -4.331 -8.242 -16.531 1.00 0.00 H new ATOM 583 N TRP A 170 -3.015 -1.138 -13.021 1.00 0.00 N ATOM 584 CA TRP A 170 -1.960 -0.426 -12.320 1.00 0.00 C ATOM 585 C TRP A 170 -0.676 -1.251 -12.431 1.00 0.00 C ATOM 586 O TRP A 170 -0.722 -2.432 -12.774 1.00 0.00 O ATOM 587 CB TRP A 170 -2.362 -0.139 -10.871 1.00 0.00 C ATOM 588 CG TRP A 170 -3.537 0.830 -10.732 1.00 0.00 C ATOM 589 CD1 TRP A 170 -4.141 1.539 -11.696 1.00 0.00 C ATOM 590 CD2 TRP A 170 -4.231 1.172 -9.513 1.00 0.00 C ATOM 591 NE1 TRP A 170 -5.169 2.308 -11.189 1.00 0.00 N ATOM 592 CE2 TRP A 170 -5.225 2.078 -9.820 1.00 0.00 C ATOM 593 CE3 TRP A 170 -4.025 0.728 -8.195 1.00 0.00 C ATOM 594 CZ2 TRP A 170 -6.092 2.619 -8.863 1.00 0.00 C ATOM 595 CZ3 TRP A 170 -4.900 1.279 -7.250 1.00 0.00 C ATOM 596 CH2 TRP A 170 -5.905 2.192 -7.543 1.00 0.00 C ATOM 0 H TRP A 170 -3.272 -2.035 -12.608 1.00 0.00 H new ATOM 0 HA TRP A 170 -1.787 0.550 -12.774 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -2.620 -1.079 -10.383 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -1.502 0.270 -10.340 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -3.859 1.512 -12.738 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -5.776 2.931 -11.722 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -3.254 0.019 -7.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -6.863 3.327 -9.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -4.785 0.972 -6.221 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.540 2.571 -6.756 1.00 0.00 H new ATOM 607 N ASN A 171 0.437 -0.598 -12.135 1.00 0.00 N ATOM 608 CA ASN A 171 1.730 -1.256 -12.198 1.00 0.00 C ATOM 609 C ASN A 171 2.189 -1.606 -10.781 1.00 0.00 C ATOM 610 O ASN A 171 2.321 -0.726 -9.932 1.00 0.00 O ATOM 611 CB ASN A 171 2.785 -0.342 -12.824 1.00 0.00 C ATOM 612 CG ASN A 171 3.573 -1.077 -13.911 1.00 0.00 C ATOM 613 OD1 ASN A 171 4.186 -2.106 -13.680 1.00 0.00 O ATOM 614 ND2 ASN A 171 3.522 -0.492 -15.104 1.00 0.00 N ATOM 0 H ASN A 171 0.470 0.381 -11.851 1.00 0.00 H new ATOM 0 HA ASN A 171 1.622 -2.152 -12.809 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.302 0.537 -13.251 1.00 0.00 H new ATOM 0 HB3 ASN A 171 3.468 0.013 -12.052 1.00 0.00 H new ATOM 0 HD21 ASN A 171 4.015 -0.904 -15.896 1.00 0.00 H new ATOM 0 HD22 ASN A 171 2.989 0.369 -15.227 1.00 0.00 H new ATOM 621 N ALA A 172 2.422 -2.893 -10.570 1.00 0.00 N ATOM 622 CA ALA A 172 2.864 -3.371 -9.270 1.00 0.00 C ATOM 623 C ALA A 172 3.891 -4.487 -9.464 1.00 0.00 C ATOM 624 O ALA A 172 3.986 -5.068 -10.543 1.00 0.00 O ATOM 625 CB ALA A 172 1.652 -3.827 -8.454 1.00 0.00 C ATOM 0 H ALA A 172 2.313 -3.620 -11.277 1.00 0.00 H new ATOM 0 HA ALA A 172 3.350 -2.571 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 172 1.983 -4.185 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 172 0.968 -2.989 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 172 1.140 -4.632 -8.982 1.00 0.00 H new ATOM 631 N GLU A 173 4.635 -4.754 -8.400 1.00 0.00 N ATOM 632 CA GLU A 173 5.653 -5.791 -8.440 1.00 0.00 C ATOM 633 C GLU A 173 5.100 -7.098 -7.869 1.00 0.00 C ATOM 634 O GLU A 173 4.175 -7.083 -7.057 1.00 0.00 O ATOM 635 CB GLU A 173 6.911 -5.353 -7.688 1.00 0.00 C ATOM 636 CG GLU A 173 7.852 -4.570 -8.606 1.00 0.00 C ATOM 637 CD GLU A 173 7.465 -3.089 -8.653 1.00 0.00 C ATOM 638 OE1 GLU A 173 6.254 -2.825 -8.811 1.00 0.00 O ATOM 639 OE2 GLU A 173 8.389 -2.258 -8.530 1.00 0.00 O ATOM 0 H GLU A 173 4.553 -4.271 -7.506 1.00 0.00 H new ATOM 0 HA GLU A 173 5.932 -5.960 -9.480 1.00 0.00 H new ATOM 0 HB2 GLU A 173 6.632 -4.735 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 173 7.427 -6.228 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 173 8.878 -4.671 -8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 173 7.819 -4.990 -9.611 1.00 0.00 H new ATOM 646 N ASP A 174 5.690 -8.198 -8.314 1.00 0.00 N ATOM 647 CA ASP A 174 5.268 -9.511 -7.858 1.00 0.00 C ATOM 648 C ASP A 174 6.057 -9.887 -6.602 1.00 0.00 C ATOM 649 O ASP A 174 6.642 -9.025 -5.950 1.00 0.00 O ATOM 650 CB ASP A 174 5.536 -10.577 -8.922 1.00 0.00 C ATOM 651 CG ASP A 174 4.330 -11.447 -9.284 1.00 0.00 C ATOM 652 OD1 ASP A 174 3.359 -10.874 -9.823 1.00 0.00 O ATOM 653 OD2 ASP A 174 4.407 -12.664 -9.014 1.00 0.00 O ATOM 0 H ASP A 174 6.457 -8.206 -8.986 1.00 0.00 H new ATOM 0 HA ASP A 174 4.198 -9.469 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 174 5.894 -10.085 -9.826 1.00 0.00 H new ATOM 0 HB3 ASP A 174 6.340 -11.224 -8.572 1.00 0.00 H new ATOM 658 N SER A 175 6.049 -11.178 -6.302 1.00 0.00 N ATOM 659 CA SER A 175 6.757 -11.679 -5.136 1.00 0.00 C ATOM 660 C SER A 175 8.251 -11.798 -5.443 1.00 0.00 C ATOM 661 O SER A 175 9.019 -12.304 -4.624 1.00 0.00 O ATOM 662 CB SER A 175 6.197 -13.032 -4.691 1.00 0.00 C ATOM 663 OG SER A 175 5.113 -12.886 -3.777 1.00 0.00 O ATOM 0 H SER A 175 5.564 -11.892 -6.846 1.00 0.00 H new ATOM 0 HA SER A 175 6.615 -10.971 -4.319 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.862 -13.591 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 175 6.989 -13.616 -4.223 1.00 0.00 H new ATOM 0 HG SER A 175 4.782 -13.771 -3.518 1.00 0.00 H new ATOM 669 N GLU A 176 8.620 -11.325 -6.624 1.00 0.00 N ATOM 670 CA GLU A 176 10.009 -11.372 -7.049 1.00 0.00 C ATOM 671 C GLU A 176 10.503 -9.969 -7.407 1.00 0.00 C ATOM 672 O GLU A 176 11.682 -9.778 -7.697 1.00 0.00 O ATOM 673 CB GLU A 176 10.190 -12.334 -8.225 1.00 0.00 C ATOM 674 CG GLU A 176 9.952 -13.782 -7.791 1.00 0.00 C ATOM 675 CD GLU A 176 8.574 -14.270 -8.243 1.00 0.00 C ATOM 676 OE1 GLU A 176 8.126 -13.799 -9.310 1.00 0.00 O ATOM 677 OE2 GLU A 176 7.998 -15.103 -7.509 1.00 0.00 O ATOM 0 H GLU A 176 7.981 -10.907 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 176 10.610 -11.746 -6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 176 9.497 -12.072 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 176 11.197 -12.233 -8.630 1.00 0.00 H new ATOM 0 HG2 GLU A 176 10.725 -14.424 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 176 10.031 -13.858 -6.707 1.00 0.00 H new ATOM 684 N GLY A 177 9.574 -9.024 -7.375 1.00 0.00 N ATOM 685 CA GLY A 177 9.900 -7.644 -7.692 1.00 0.00 C ATOM 686 C GLY A 177 9.551 -7.319 -9.146 1.00 0.00 C ATOM 687 O GLY A 177 9.646 -6.168 -9.569 1.00 0.00 O ATOM 0 H GLY A 177 8.596 -9.187 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 177 9.355 -6.975 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 177 10.962 -7.469 -7.521 1.00 0.00 H new ATOM 691 N LYS A 178 9.155 -8.355 -9.872 1.00 0.00 N ATOM 692 CA LYS A 178 8.792 -8.194 -11.270 1.00 0.00 C ATOM 693 C LYS A 178 7.670 -7.161 -11.385 1.00 0.00 C ATOM 694 O LYS A 178 6.547 -7.409 -10.949 1.00 0.00 O ATOM 695 CB LYS A 178 8.450 -9.548 -11.894 1.00 0.00 C ATOM 696 CG LYS A 178 9.712 -10.385 -12.116 1.00 0.00 C ATOM 697 CD LYS A 178 9.745 -10.960 -13.534 1.00 0.00 C ATOM 698 CE LYS A 178 10.840 -10.294 -14.370 1.00 0.00 C ATOM 699 NZ LYS A 178 10.428 -8.930 -14.771 1.00 0.00 N ATOM 0 H LYS A 178 9.078 -9.309 -9.518 1.00 0.00 H new ATOM 0 HA LYS A 178 9.637 -7.811 -11.842 1.00 0.00 H new ATOM 0 HB2 LYS A 178 7.761 -10.088 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 178 7.939 -9.395 -12.845 1.00 0.00 H new ATOM 0 HG2 LYS A 178 10.596 -9.769 -11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 178 9.747 -11.197 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 178 9.919 -12.035 -13.490 1.00 0.00 H new ATOM 0 HD3 LYS A 178 8.777 -10.813 -14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 178 11.766 -10.247 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 178 11.045 -10.894 -15.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 11.182 -8.492 -15.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 9.557 -8.983 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 10.255 -8.356 -13.921 1.00 0.00 H new ATOM 713 N ARG A 179 8.011 -6.025 -11.975 1.00 0.00 N ATOM 714 CA ARG A 179 7.046 -4.954 -12.153 1.00 0.00 C ATOM 715 C ARG A 179 6.268 -5.152 -13.455 1.00 0.00 C ATOM 716 O ARG A 179 6.862 -5.285 -14.524 1.00 0.00 O ATOM 717 CB ARG A 179 7.737 -3.589 -12.183 1.00 0.00 C ATOM 718 CG ARG A 179 9.028 -3.610 -11.362 1.00 0.00 C ATOM 719 CD ARG A 179 10.240 -3.286 -12.239 1.00 0.00 C ATOM 720 NE ARG A 179 10.138 -1.901 -12.752 1.00 0.00 N ATOM 721 CZ ARG A 179 11.123 -1.266 -13.400 1.00 0.00 C ATOM 722 NH1 ARG A 179 12.291 -1.886 -13.619 1.00 0.00 N ATOM 723 NH2 ARG A 179 10.941 -0.010 -13.830 1.00 0.00 N ATOM 0 H ARG A 179 8.943 -5.823 -12.336 1.00 0.00 H new ATOM 0 HA ARG A 179 6.359 -4.983 -11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 179 7.962 -3.314 -13.213 1.00 0.00 H new ATOM 0 HB3 ARG A 179 7.064 -2.828 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 179 8.959 -2.887 -10.550 1.00 0.00 H new ATOM 0 HG3 ARG A 179 9.157 -4.591 -10.905 1.00 0.00 H new ATOM 0 HD2 ARG A 179 11.158 -3.402 -11.663 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.295 -3.988 -13.071 1.00 0.00 H new ATOM 0 HE ARG A 179 9.263 -1.399 -12.603 1.00 0.00 H new ATOM 0 HH11 ARG A 179 12.430 -2.842 -13.292 1.00 0.00 H new ATOM 0 HH12 ARG A 179 13.041 -1.402 -14.113 1.00 0.00 H new ATOM 0 HH21 ARG A 179 10.052 0.462 -13.664 1.00 0.00 H new ATOM 0 HH22 ARG A 179 11.691 0.474 -14.324 1.00 0.00 H new ATOM 737 N GLY A 180 4.949 -5.166 -13.323 1.00 0.00 N ATOM 738 CA GLY A 180 4.084 -5.346 -14.476 1.00 0.00 C ATOM 739 C GLY A 180 2.705 -4.730 -14.228 1.00 0.00 C ATOM 740 O GLY A 180 2.487 -4.079 -13.207 1.00 0.00 O ATOM 0 H GLY A 180 4.459 -5.056 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 180 4.540 -4.885 -15.353 1.00 0.00 H new ATOM 0 HA3 GLY A 180 3.978 -6.409 -14.693 1.00 0.00 H new ATOM 744 N MET A 181 1.811 -4.957 -15.179 1.00 0.00 N ATOM 745 CA MET A 181 0.459 -4.433 -15.076 1.00 0.00 C ATOM 746 C MET A 181 -0.497 -5.488 -14.517 1.00 0.00 C ATOM 747 O MET A 181 -0.555 -6.609 -15.021 1.00 0.00 O ATOM 748 CB MET A 181 -0.022 -3.988 -16.459 1.00 0.00 C ATOM 749 CG MET A 181 -1.147 -2.957 -16.342 1.00 0.00 C ATOM 750 SD MET A 181 -0.611 -1.392 -17.011 1.00 0.00 S ATOM 751 CE MET A 181 0.163 -0.686 -15.566 1.00 0.00 C ATOM 0 H MET A 181 1.996 -5.497 -16.025 1.00 0.00 H new ATOM 0 HA MET A 181 0.469 -3.583 -14.394 1.00 0.00 H new ATOM 0 HB2 MET A 181 0.811 -3.561 -17.018 1.00 0.00 H new ATOM 0 HB3 MET A 181 -0.373 -4.853 -17.022 1.00 0.00 H new ATOM 0 HG2 MET A 181 -2.030 -3.307 -16.877 1.00 0.00 H new ATOM 0 HG3 MET A 181 -1.434 -2.836 -15.297 1.00 0.00 H new ATOM 0 HE1 MET A 181 0.949 0.004 -15.874 1.00 0.00 H new ATOM 0 HE2 MET A 181 -0.582 -0.148 -14.980 1.00 0.00 H new ATOM 0 HE3 MET A 181 0.596 -1.482 -14.960 1.00 0.00 H new ATOM 761 N ILE A 182 -1.224 -5.093 -13.482 1.00 0.00 N ATOM 762 CA ILE A 182 -2.175 -5.991 -12.849 1.00 0.00 C ATOM 763 C ILE A 182 -3.536 -5.299 -12.752 1.00 0.00 C ATOM 764 O ILE A 182 -3.614 -4.071 -12.763 1.00 0.00 O ATOM 765 CB ILE A 182 -1.636 -6.480 -11.504 1.00 0.00 C ATOM 766 CG1 ILE A 182 -1.515 -5.324 -10.508 1.00 0.00 C ATOM 767 CG2 ILE A 182 -0.312 -7.225 -11.681 1.00 0.00 C ATOM 768 CD1 ILE A 182 -1.835 -5.789 -9.086 1.00 0.00 C ATOM 0 H ILE A 182 -1.174 -4.163 -13.066 1.00 0.00 H new ATOM 0 HA ILE A 182 -2.315 -6.887 -13.454 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.351 -7.190 -11.088 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -0.505 -4.914 -10.542 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -2.195 -4.521 -10.793 1.00 0.00 H new ATOM 0 HG21 ILE A 182 0.049 -7.562 -10.709 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -0.464 -8.087 -12.330 1.00 0.00 H new ATOM 0 HG23 ILE A 182 0.424 -6.558 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -1.741 -4.948 -8.399 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -2.854 -6.176 -9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -1.138 -6.575 -8.795 1.00 0.00 H new ATOM 780 N PRO A 183 -4.603 -6.138 -12.656 1.00 0.00 N ATOM 781 CA PRO A 183 -5.956 -5.620 -12.557 1.00 0.00 C ATOM 782 C PRO A 183 -6.228 -5.060 -11.159 1.00 0.00 C ATOM 783 O PRO A 183 -5.919 -5.703 -10.158 1.00 0.00 O ATOM 784 CB PRO A 183 -6.854 -6.794 -12.910 1.00 0.00 C ATOM 785 CG PRO A 183 -5.997 -8.039 -12.741 1.00 0.00 C ATOM 786 CD PRO A 183 -4.547 -7.597 -12.640 1.00 0.00 C ATOM 0 HA PRO A 183 -6.135 -4.782 -13.230 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -7.726 -6.829 -12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -7.224 -6.710 -13.932 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -6.292 -8.587 -11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -6.132 -8.713 -13.587 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -4.083 -7.966 -11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -3.957 -7.980 -13.473 1.00 0.00 H new ATOM 794 N VAL A 184 -6.802 -3.866 -11.137 1.00 0.00 N ATOM 795 CA VAL A 184 -7.119 -3.212 -9.878 1.00 0.00 C ATOM 796 C VAL A 184 -8.395 -3.824 -9.297 1.00 0.00 C ATOM 797 O VAL A 184 -8.554 -3.899 -8.080 1.00 0.00 O ATOM 798 CB VAL A 184 -7.221 -1.699 -10.086 1.00 0.00 C ATOM 799 CG1 VAL A 184 -7.879 -1.024 -8.881 1.00 0.00 C ATOM 800 CG2 VAL A 184 -5.848 -1.091 -10.374 1.00 0.00 C ATOM 0 H VAL A 184 -7.056 -3.335 -11.970 1.00 0.00 H new ATOM 0 HA VAL A 184 -6.322 -3.374 -9.152 1.00 0.00 H new ATOM 0 HB VAL A 184 -7.854 -1.522 -10.956 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -7.939 0.050 -9.054 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -8.882 -1.426 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -7.284 -1.215 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -5.949 -0.015 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -5.181 -1.284 -9.533 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -5.433 -1.540 -11.276 1.00 0.00 H new ATOM 810 N PRO A 185 -9.296 -4.257 -10.219 1.00 0.00 N ATOM 811 CA PRO A 185 -10.554 -4.860 -9.811 1.00 0.00 C ATOM 812 C PRO A 185 -10.338 -6.286 -9.301 1.00 0.00 C ATOM 813 O PRO A 185 -11.122 -6.787 -8.496 1.00 0.00 O ATOM 814 CB PRO A 185 -11.438 -4.798 -11.046 1.00 0.00 C ATOM 815 CG PRO A 185 -10.499 -4.591 -12.222 1.00 0.00 C ATOM 816 CD PRO A 185 -9.142 -4.185 -11.670 1.00 0.00 C ATOM 0 HA PRO A 185 -11.021 -4.337 -8.977 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -12.012 -5.717 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -12.156 -3.981 -10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -10.414 -5.506 -12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -10.886 -3.820 -12.888 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -8.356 -4.855 -12.019 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -8.869 -3.179 -11.990 1.00 0.00 H new ATOM 824 N TYR A 186 -9.270 -6.900 -9.790 1.00 0.00 N ATOM 825 CA TYR A 186 -8.942 -8.259 -9.394 1.00 0.00 C ATOM 826 C TYR A 186 -7.907 -8.266 -8.268 1.00 0.00 C ATOM 827 O TYR A 186 -7.397 -9.322 -7.894 1.00 0.00 O ATOM 828 CB TYR A 186 -8.337 -8.925 -10.631 1.00 0.00 C ATOM 829 CG TYR A 186 -9.357 -9.254 -11.723 1.00 0.00 C ATOM 830 CD1 TYR A 186 -10.248 -8.288 -12.148 1.00 0.00 C ATOM 831 CD2 TYR A 186 -9.387 -10.514 -12.283 1.00 0.00 C ATOM 832 CE1 TYR A 186 -11.208 -8.597 -13.175 1.00 0.00 C ATOM 833 CE2 TYR A 186 -10.347 -10.824 -13.311 1.00 0.00 C ATOM 834 CZ TYR A 186 -11.211 -9.850 -13.706 1.00 0.00 C ATOM 835 OH TYR A 186 -12.118 -10.143 -14.676 1.00 0.00 O ATOM 0 H TYR A 186 -8.621 -6.481 -10.456 1.00 0.00 H new ATOM 0 HA TYR A 186 -9.829 -8.778 -9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -7.573 -8.268 -11.048 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -7.836 -9.844 -10.328 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -10.224 -7.301 -11.710 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -8.690 -11.269 -11.950 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -11.910 -7.851 -13.517 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -10.380 -11.807 -13.758 1.00 0.00 H new ATOM 0 HH TYR A 186 -12.002 -11.073 -14.962 1.00 0.00 H new ATOM 845 N VAL A 187 -7.624 -7.075 -7.758 1.00 0.00 N ATOM 846 CA VAL A 187 -6.659 -6.932 -6.683 1.00 0.00 C ATOM 847 C VAL A 187 -7.213 -5.970 -5.630 1.00 0.00 C ATOM 848 O VAL A 187 -8.009 -5.086 -5.949 1.00 0.00 O ATOM 849 CB VAL A 187 -5.309 -6.485 -7.248 1.00 0.00 C ATOM 850 CG1 VAL A 187 -4.931 -7.310 -8.481 1.00 0.00 C ATOM 851 CG2 VAL A 187 -5.316 -4.990 -7.569 1.00 0.00 C ATOM 0 H VAL A 187 -8.047 -6.201 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 187 -6.490 -7.890 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 187 -4.552 -6.659 -6.483 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -3.968 -6.972 -8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.864 -8.363 -8.208 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.692 -7.183 -9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.345 -4.699 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -6.090 -4.780 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -5.518 -4.424 -6.660 1.00 0.00 H new ATOM 861 N GLU A 188 -6.773 -6.174 -4.398 1.00 0.00 N ATOM 862 CA GLU A 188 -7.216 -5.335 -3.296 1.00 0.00 C ATOM 863 C GLU A 188 -6.138 -4.307 -2.946 1.00 0.00 C ATOM 864 O GLU A 188 -4.953 -4.542 -3.176 1.00 0.00 O ATOM 865 CB GLU A 188 -7.584 -6.181 -2.076 1.00 0.00 C ATOM 866 CG GLU A 188 -8.370 -5.358 -1.055 1.00 0.00 C ATOM 867 CD GLU A 188 -8.772 -6.214 0.149 1.00 0.00 C ATOM 868 OE1 GLU A 188 -9.228 -7.352 -0.093 1.00 0.00 O ATOM 869 OE2 GLU A 188 -8.612 -5.711 1.281 1.00 0.00 O ATOM 0 H GLU A 188 -6.114 -6.908 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 188 -8.113 -4.800 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -8.177 -7.040 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -6.678 -6.572 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -7.766 -4.515 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -9.262 -4.944 -1.525 1.00 0.00 H new ATOM 876 N LYS A 189 -6.589 -3.189 -2.394 1.00 0.00 N ATOM 877 CA LYS A 189 -5.678 -2.125 -2.010 1.00 0.00 C ATOM 878 C LYS A 189 -5.215 -2.352 -0.570 1.00 0.00 C ATOM 879 O LYS A 189 -6.001 -2.225 0.367 1.00 0.00 O ATOM 880 CB LYS A 189 -6.325 -0.757 -2.239 1.00 0.00 C ATOM 881 CG LYS A 189 -7.711 -0.691 -1.594 1.00 0.00 C ATOM 882 CD LYS A 189 -8.134 0.759 -1.351 1.00 0.00 C ATOM 883 CE LYS A 189 -7.667 1.244 0.023 1.00 0.00 C ATOM 884 NZ LYS A 189 -8.627 0.834 1.072 1.00 0.00 N ATOM 0 H LYS A 189 -7.573 -2.998 -2.204 1.00 0.00 H new ATOM 0 HA LYS A 189 -4.788 -2.140 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -5.689 0.024 -1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -6.408 -0.565 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -8.440 -1.183 -2.238 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -7.703 -1.234 -0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -7.715 1.399 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -9.219 0.842 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -6.681 0.834 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -7.567 2.329 0.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -8.295 1.171 1.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -9.560 1.245 0.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -8.702 -0.203 1.088 1.00 0.00 H new