USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 738 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 102 LYS NZ :NH3+ 176:sc= 0.33 (180deg=0) USER MOD Set 1.2: A 118 ASN : amide:sc= -3.59 K(o=-3.3,f=-3.9!) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0523 K(o=-0.074,f=0.71) USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= -0.0212 USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 75 LYS NZ :NH3+ 125:sc= 0.00181 (180deg=-0.0195) USER MOD Single : A 2 SER OG : rot 32:sc= 0.947 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 14 CYS SG : rot 180:sc= 0.028 USER MOD Single : A 29 CYS SG : rot 97:sc= -0.975 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -154:sc= -0.0344 (180deg=-1.18) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 37:sc= -0.162 USER MOD Single : A 63 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.022) USER MOD Single : A 65 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.022) USER MOD Single : A 66 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.105) USER MOD Single : A 70 MET CE :methyl 174:sc= -0.109 (180deg=-0.24) USER MOD Single : A 71 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.2) USER MOD Single : A 83 SER OG : rot -170:sc= -0.348 USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00321 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 64:sc= 0.388 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 115 MET CE :methyl 131:sc= -0.34 (180deg=-1.5) USER MOD Single : A 117 MET CE :methyl 145:sc= -0.693 (180deg=-2.39!) USER MOD Single : A 121 TYR OH : rot 180:sc= -0.941 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.813 -21.535 5.669 1.00 0.00 N ATOM 84 CA SER A 2 -0.916 -20.663 4.505 1.00 0.00 C ATOM 85 C SER A 2 -0.262 -19.312 4.778 1.00 0.00 C ATOM 86 O SER A 2 -0.726 -18.519 5.598 1.00 0.00 O ATOM 87 CB SER A 2 -2.384 -20.463 4.121 1.00 0.00 C ATOM 88 OG SER A 2 -3.031 -19.579 5.020 1.00 0.00 O ATOM 0 HA SER A 2 -0.392 -21.140 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.447 -20.066 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.897 -21.425 4.120 1.00 0.00 H new ATOM 0 HG SER A 2 -2.385 -18.922 5.355 1.00 0.00 H new ATOM 94 N PRO A 3 0.847 -19.039 4.075 1.00 0.00 N ATOM 95 CA PRO A 3 1.505 -17.751 4.309 1.00 0.00 C ATOM 96 C PRO A 3 0.687 -16.577 3.780 1.00 0.00 C ATOM 97 O PRO A 3 -0.098 -16.727 2.844 1.00 0.00 O ATOM 98 CB PRO A 3 2.819 -17.879 3.533 1.00 0.00 C ATOM 99 CG PRO A 3 2.535 -18.881 2.469 1.00 0.00 C ATOM 100 CD PRO A 3 1.548 -19.847 3.063 1.00 0.00 C ATOM 0 HA PRO A 3 1.638 -17.548 5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.121 -16.923 3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.631 -18.209 4.181 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.125 -18.401 1.580 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.447 -19.394 2.162 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.861 -20.233 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 3 2.047 -20.707 3.510 1.00 0.00 H new ATOM 108 N PHE A 4 0.877 -15.410 4.386 1.00 0.00 N ATOM 109 CA PHE A 4 0.156 -14.210 3.977 1.00 0.00 C ATOM 110 C PHE A 4 1.119 -13.148 3.454 1.00 0.00 C ATOM 111 O PHE A 4 2.335 -13.259 3.623 1.00 0.00 O ATOM 112 CB PHE A 4 -0.651 -13.650 5.149 1.00 0.00 C ATOM 113 CG PHE A 4 0.196 -12.988 6.198 1.00 0.00 C ATOM 114 CD1 PHE A 4 0.804 -13.739 7.192 1.00 0.00 C ATOM 115 CD2 PHE A 4 0.384 -11.616 6.192 1.00 0.00 C ATOM 116 CE1 PHE A 4 1.585 -13.134 8.158 1.00 0.00 C ATOM 117 CE2 PHE A 4 1.164 -11.005 7.156 1.00 0.00 C ATOM 118 CZ PHE A 4 1.764 -11.765 8.141 1.00 0.00 C ATOM 0 H PHE A 4 1.524 -15.269 5.162 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.527 -14.483 3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.375 -12.929 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.218 -14.459 5.609 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.666 -14.810 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.084 -11.016 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.055 -13.731 8.925 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.304 -9.934 7.139 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.372 -11.289 8.896 1.00 0.00 H new ATOM 128 N LEU A 5 0.569 -12.120 2.818 1.00 0.00 N ATOM 129 CA LEU A 5 1.378 -11.038 2.269 1.00 0.00 C ATOM 130 C LEU A 5 1.200 -9.759 3.082 1.00 0.00 C ATOM 131 O LEU A 5 0.079 -9.298 3.295 1.00 0.00 O ATOM 132 CB LEU A 5 1.001 -10.783 0.808 1.00 0.00 C ATOM 133 CG LEU A 5 1.781 -11.584 -0.235 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.264 -11.285 -1.634 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.269 -11.279 -0.139 1.00 0.00 C ATOM 0 H LEU A 5 -0.434 -12.013 2.670 1.00 0.00 H new ATOM 0 HA LEU A 5 2.425 -11.338 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.060 -10.999 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.137 -9.722 0.598 1.00 0.00 H new ATOM 0 HG LEU A 5 1.634 -12.645 -0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.831 -11.864 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.210 -11.554 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.380 -10.222 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.808 -11.858 -0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.434 -10.216 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.631 -11.544 0.854 1.00 0.00 H new ATOM 147 N ARG A 6 2.314 -9.191 3.532 1.00 0.00 N ATOM 148 CA ARG A 6 2.282 -7.965 4.321 1.00 0.00 C ATOM 149 C ARG A 6 2.658 -6.759 3.466 1.00 0.00 C ATOM 150 O ARG A 6 3.832 -6.402 3.360 1.00 0.00 O ATOM 151 CB ARG A 6 3.234 -8.075 5.513 1.00 0.00 C ATOM 152 CG ARG A 6 3.306 -6.811 6.353 1.00 0.00 C ATOM 153 CD ARG A 6 4.420 -6.891 7.386 1.00 0.00 C ATOM 154 NE ARG A 6 4.137 -6.071 8.561 1.00 0.00 N ATOM 155 CZ ARG A 6 5.063 -5.702 9.439 1.00 0.00 C ATOM 156 NH1 ARG A 6 6.324 -6.078 9.276 1.00 0.00 N ATOM 157 NH2 ARG A 6 4.728 -4.955 10.484 1.00 0.00 N ATOM 0 H ARG A 6 3.250 -9.560 3.364 1.00 0.00 H new ATOM 0 HA ARG A 6 1.265 -7.826 4.689 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.916 -8.904 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.233 -8.316 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.471 -5.951 5.704 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.352 -6.653 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.557 -7.928 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.357 -6.566 6.934 1.00 0.00 H new ATOM 0 HE ARG A 6 3.176 -5.765 8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.585 -6.652 8.475 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.033 -5.793 9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.759 -4.664 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.440 -4.672 11.158 1.00 0.00 H new ATOM 171 N ILE A 7 1.654 -6.135 2.858 1.00 0.00 N ATOM 172 CA ILE A 7 1.880 -4.969 2.013 1.00 0.00 C ATOM 173 C ILE A 7 1.809 -3.680 2.825 1.00 0.00 C ATOM 174 O ILE A 7 1.004 -3.559 3.748 1.00 0.00 O ATOM 175 CB ILE A 7 0.854 -4.897 0.866 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.922 -6.165 0.013 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.101 -3.663 0.012 1.00 0.00 C ATOM 178 CD1 ILE A 7 0.010 -7.270 0.498 1.00 0.00 C ATOM 0 H ILE A 7 0.677 -6.417 2.935 1.00 0.00 H new ATOM 0 HA ILE A 7 2.879 -5.075 1.590 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.145 -4.823 1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.662 -5.915 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.949 -6.531 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.368 -3.626 -0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.008 -2.769 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.104 -3.708 -0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.111 -8.137 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.284 -7.547 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.023 -6.922 0.482 1.00 0.00 H new ATOM 190 N GLY A 8 2.656 -2.717 2.473 1.00 0.00 N ATOM 191 CA GLY A 8 2.672 -1.449 3.177 1.00 0.00 C ATOM 192 C GLY A 8 2.819 -0.267 2.240 1.00 0.00 C ATOM 193 O GLY A 8 3.705 -0.250 1.384 1.00 0.00 O ATOM 0 H GLY A 8 3.331 -2.793 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.750 -1.343 3.749 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.494 -1.445 3.893 1.00 0.00 H new ATOM 197 N LEU A 9 1.949 0.724 2.399 1.00 0.00 N ATOM 198 CA LEU A 9 1.985 1.916 1.559 1.00 0.00 C ATOM 199 C LEU A 9 2.666 3.073 2.284 1.00 0.00 C ATOM 200 O LEU A 9 2.643 3.149 3.512 1.00 0.00 O ATOM 201 CB LEU A 9 0.568 2.319 1.150 1.00 0.00 C ATOM 202 CG LEU A 9 -0.323 1.195 0.620 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.777 1.639 0.581 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.139 0.755 -0.762 1.00 0.00 C ATOM 0 H LEU A 9 1.210 0.726 3.102 1.00 0.00 H new ATOM 0 HA LEU A 9 2.562 1.682 0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.077 2.769 2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.638 3.092 0.384 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.242 0.344 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.396 0.826 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.104 1.904 1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.875 2.506 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.506 -0.045 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.089 1.600 -1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.166 0.395 -0.705 1.00 0.00 H new ATOM 216 N SER A 10 3.270 3.974 1.514 1.00 0.00 N ATOM 217 CA SER A 10 3.958 5.126 2.083 1.00 0.00 C ATOM 218 C SER A 10 4.349 6.119 0.992 1.00 0.00 C ATOM 219 O SER A 10 4.339 5.790 -0.194 1.00 0.00 O ATOM 220 CB SER A 10 5.204 4.676 2.848 1.00 0.00 C ATOM 221 OG SER A 10 6.227 4.262 1.959 1.00 0.00 O ATOM 0 H SER A 10 3.296 3.928 0.495 1.00 0.00 H new ATOM 0 HA SER A 10 3.275 5.621 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.568 5.494 3.470 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.947 3.856 3.518 1.00 0.00 H new ATOM 0 HG SER A 10 7.013 3.981 2.473 1.00 0.00 H new ATOM 227 N ASN A 11 4.692 7.335 1.402 1.00 0.00 N ATOM 228 CA ASN A 11 5.086 8.377 0.461 1.00 0.00 C ATOM 229 C ASN A 11 3.984 8.628 -0.565 1.00 0.00 C ATOM 230 O ASN A 11 4.258 8.860 -1.742 1.00 0.00 O ATOM 231 CB ASN A 11 6.382 7.986 -0.252 1.00 0.00 C ATOM 232 CG ASN A 11 7.533 7.778 0.713 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.706 8.541 1.664 1.00 0.00 O ATOM 234 ND2 ASN A 11 8.327 6.741 0.473 1.00 0.00 N ATOM 0 H ASN A 11 4.705 7.624 2.380 1.00 0.00 H new ATOM 0 HA ASN A 11 5.251 9.296 1.023 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.219 7.071 -0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.648 8.763 -0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.118 6.551 1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.146 6.135 -0.327 1.00 0.00 H new ATOM 241 N PHE A 12 2.737 8.580 -0.109 1.00 0.00 N ATOM 242 CA PHE A 12 1.593 8.801 -0.986 1.00 0.00 C ATOM 243 C PHE A 12 1.665 10.180 -1.635 1.00 0.00 C ATOM 244 O PHE A 12 1.786 11.196 -0.950 1.00 0.00 O ATOM 245 CB PHE A 12 0.287 8.662 -0.201 1.00 0.00 C ATOM 246 CG PHE A 12 -0.931 9.042 -0.993 1.00 0.00 C ATOM 247 CD1 PHE A 12 -1.103 8.582 -2.288 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.906 9.858 -0.441 1.00 0.00 C ATOM 249 CE1 PHE A 12 -2.223 8.931 -3.019 1.00 0.00 C ATOM 250 CE2 PHE A 12 -3.028 10.209 -1.167 1.00 0.00 C ATOM 251 CZ PHE A 12 -3.187 9.744 -2.458 1.00 0.00 C ATOM 0 H PHE A 12 2.493 8.390 0.863 1.00 0.00 H new ATOM 0 HA PHE A 12 1.618 8.046 -1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.184 7.631 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.340 9.286 0.691 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.354 7.943 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.787 10.224 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.344 8.568 -4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.780 10.846 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.064 10.016 -3.027 1.00 0.00 H new ATOM 261 N ASP A 13 1.590 10.207 -2.961 1.00 0.00 N ATOM 262 CA ASP A 13 1.646 11.461 -3.705 1.00 0.00 C ATOM 263 C ASP A 13 0.437 11.601 -4.625 1.00 0.00 C ATOM 264 O ASP A 13 0.272 10.828 -5.571 1.00 0.00 O ATOM 265 CB ASP A 13 2.936 11.537 -4.522 1.00 0.00 C ATOM 266 CG ASP A 13 3.072 12.848 -5.270 1.00 0.00 C ATOM 267 OD1 ASP A 13 3.517 13.840 -4.653 1.00 0.00 O ATOM 268 OD2 ASP A 13 2.734 12.884 -6.471 1.00 0.00 O ATOM 0 H ASP A 13 1.490 9.375 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 13 1.631 12.282 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.791 11.411 -3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.961 10.712 -5.234 1.00 0.00 H new ATOM 273 N CYS A 14 -0.404 12.589 -4.342 1.00 0.00 N ATOM 274 CA CYS A 14 -1.599 12.829 -5.144 1.00 0.00 C ATOM 275 C CYS A 14 -1.321 13.852 -6.240 1.00 0.00 C ATOM 276 O CYS A 14 -1.985 13.863 -7.276 1.00 0.00 O ATOM 277 CB CYS A 14 -2.745 13.314 -4.256 1.00 0.00 C ATOM 278 SG CYS A 14 -2.419 14.883 -3.420 1.00 0.00 S ATOM 0 H CYS A 14 -0.281 13.237 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.886 11.889 -5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.643 13.419 -4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.956 12.552 -3.506 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.447 15.210 -2.695 1.00 0.00 H new ATOM 431 N PRO A 27 -8.939 11.742 4.972 1.00 0.00 N ATOM 432 CA PRO A 27 -9.022 10.816 3.839 1.00 0.00 C ATOM 433 C PRO A 27 -8.680 9.383 4.235 1.00 0.00 C ATOM 434 O PRO A 27 -7.664 9.134 4.883 1.00 0.00 O ATOM 435 CB PRO A 27 -7.981 11.362 2.858 1.00 0.00 C ATOM 436 CG PRO A 27 -7.006 12.097 3.711 1.00 0.00 C ATOM 437 CD PRO A 27 -7.801 12.669 4.852 1.00 0.00 C ATOM 0 HA PRO A 27 -10.030 10.764 3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.496 10.557 2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.439 12.022 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.226 11.429 4.076 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.511 12.887 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.215 12.708 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.131 13.686 4.642 1.00 0.00 H new ATOM 445 N TYR A 28 -9.535 8.446 3.840 1.00 0.00 N ATOM 446 CA TYR A 28 -9.324 7.038 4.156 1.00 0.00 C ATOM 447 C TYR A 28 -9.110 6.221 2.885 1.00 0.00 C ATOM 448 O TYR A 28 -9.743 6.473 1.859 1.00 0.00 O ATOM 449 CB TYR A 28 -10.518 6.485 4.937 1.00 0.00 C ATOM 450 CG TYR A 28 -11.801 6.453 4.138 1.00 0.00 C ATOM 451 CD1 TYR A 28 -12.083 5.397 3.280 1.00 0.00 C ATOM 452 CD2 TYR A 28 -12.733 7.478 4.243 1.00 0.00 C ATOM 453 CE1 TYR A 28 -13.254 5.365 2.548 1.00 0.00 C ATOM 454 CE2 TYR A 28 -13.908 7.453 3.517 1.00 0.00 C ATOM 455 CZ TYR A 28 -14.163 6.395 2.670 1.00 0.00 C ATOM 456 OH TYR A 28 -15.332 6.365 1.944 1.00 0.00 O ATOM 0 H TYR A 28 -10.380 8.636 3.301 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.428 6.960 4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -10.285 5.475 5.274 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -10.670 7.092 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.375 4.587 3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -12.535 8.309 4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.457 4.538 1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -14.623 8.257 3.612 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.863 7.164 2.145 1.00 0.00 H new ATOM 466 N CYS A 29 -8.216 5.242 2.963 1.00 0.00 N ATOM 467 CA CYS A 29 -7.917 4.387 1.820 1.00 0.00 C ATOM 468 C CYS A 29 -8.755 3.113 1.861 1.00 0.00 C ATOM 469 O CYS A 29 -8.697 2.351 2.825 1.00 0.00 O ATOM 470 CB CYS A 29 -6.430 4.033 1.796 1.00 0.00 C ATOM 471 SG CYS A 29 -5.393 5.260 0.965 1.00 0.00 S ATOM 0 H CYS A 29 -7.686 5.020 3.806 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.166 4.936 0.912 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.080 3.911 2.821 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.304 3.071 1.300 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.874 6.059 1.849 1.00 0.00 H new ATOM 477 N ALA A 30 -9.534 2.889 0.807 1.00 0.00 N ATOM 478 CA ALA A 30 -10.383 1.707 0.723 1.00 0.00 C ATOM 479 C ALA A 30 -9.698 0.595 -0.064 1.00 0.00 C ATOM 480 O ALA A 30 -9.414 0.746 -1.253 1.00 0.00 O ATOM 481 CB ALA A 30 -11.719 2.062 0.086 1.00 0.00 C ATOM 0 H ALA A 30 -9.594 3.510 0.000 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.561 1.344 1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.343 1.170 0.029 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.220 2.818 0.690 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.551 2.452 -0.918 1.00 0.00 H new ATOM 487 N VAL A 31 -9.435 -0.522 0.606 1.00 0.00 N ATOM 488 CA VAL A 31 -8.784 -1.661 -0.031 1.00 0.00 C ATOM 489 C VAL A 31 -9.770 -2.801 -0.258 1.00 0.00 C ATOM 490 O VAL A 31 -10.031 -3.600 0.642 1.00 0.00 O ATOM 491 CB VAL A 31 -7.604 -2.177 0.813 1.00 0.00 C ATOM 492 CG1 VAL A 31 -6.958 -3.383 0.147 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.584 -1.071 1.036 1.00 0.00 C ATOM 0 H VAL A 31 -9.663 -0.663 1.590 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.408 -1.313 -0.993 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.985 -2.489 1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.126 -3.734 0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.694 -4.180 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.590 -3.100 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.757 -1.454 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.206 -0.725 0.074 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.057 -0.240 1.560 1.00 0.00 H new ATOM 503 N LEU A 32 -10.316 -2.872 -1.467 1.00 0.00 N ATOM 504 CA LEU A 32 -11.274 -3.916 -1.814 1.00 0.00 C ATOM 505 C LEU A 32 -10.562 -5.231 -2.116 1.00 0.00 C ATOM 506 O LEU A 32 -9.522 -5.249 -2.775 1.00 0.00 O ATOM 507 CB LEU A 32 -12.110 -3.488 -3.021 1.00 0.00 C ATOM 508 CG LEU A 32 -13.136 -2.382 -2.769 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.511 -1.013 -2.988 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.351 -2.566 -3.667 1.00 0.00 C ATOM 0 H LEU A 32 -10.112 -2.219 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.932 -4.068 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.432 -3.155 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.636 -4.363 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.463 -2.447 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.256 -0.239 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.674 -0.881 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.154 -0.936 -4.015 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.070 -1.770 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.041 -2.529 -4.711 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.814 -3.531 -3.460 1.00 0.00 H new ATOM 522 N VAL A 33 -11.129 -6.330 -1.631 1.00 0.00 N ATOM 523 CA VAL A 33 -10.550 -7.650 -1.851 1.00 0.00 C ATOM 524 C VAL A 33 -11.567 -8.599 -2.476 1.00 0.00 C ATOM 525 O VAL A 33 -12.681 -8.752 -1.974 1.00 0.00 O ATOM 526 CB VAL A 33 -10.034 -8.263 -0.536 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.269 -9.549 -0.810 1.00 0.00 C ATOM 528 CG2 VAL A 33 -9.164 -7.264 0.212 1.00 0.00 C ATOM 0 H VAL A 33 -11.989 -6.333 -1.083 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.712 -7.518 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.891 -8.506 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.912 -9.968 0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -9.927 -10.267 -1.300 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.419 -9.336 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.808 -7.714 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.311 -6.988 -0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.749 -6.373 0.442 1.00 0.00 H new ATOM 538 N LYS A 34 -11.177 -9.235 -3.575 1.00 0.00 N ATOM 539 CA LYS A 34 -12.052 -10.171 -4.270 1.00 0.00 C ATOM 540 C LYS A 34 -11.344 -11.499 -4.515 1.00 0.00 C ATOM 541 O LYS A 34 -10.118 -11.550 -4.614 1.00 0.00 O ATOM 542 CB LYS A 34 -12.516 -9.575 -5.602 1.00 0.00 C ATOM 543 CG LYS A 34 -13.215 -8.235 -5.458 1.00 0.00 C ATOM 544 CD LYS A 34 -13.018 -7.368 -6.690 1.00 0.00 C ATOM 545 CE LYS A 34 -13.020 -5.889 -6.338 1.00 0.00 C ATOM 546 NZ LYS A 34 -11.673 -5.418 -5.913 1.00 0.00 N ATOM 0 H LYS A 34 -10.259 -9.119 -4.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.921 -10.354 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.653 -9.457 -6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.192 -10.278 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.280 -8.395 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.830 -7.715 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.075 -7.627 -7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.810 -7.573 -7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.351 -5.311 -7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.737 -5.707 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.716 -4.405 -5.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.367 -5.952 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.993 -5.568 -6.686 1.00 0.00 H new ATOM 809 N PRO A 50 -15.082 -7.651 3.457 1.00 0.00 N ATOM 810 CA PRO A 50 -15.576 -6.325 3.072 1.00 0.00 C ATOM 811 C PRO A 50 -14.448 -5.311 2.913 1.00 0.00 C ATOM 812 O PRO A 50 -13.269 -5.662 2.973 1.00 0.00 O ATOM 813 CB PRO A 50 -16.488 -5.933 4.237 1.00 0.00 C ATOM 814 CG PRO A 50 -15.968 -6.705 5.401 1.00 0.00 C ATOM 815 CD PRO A 50 -15.449 -8.000 4.840 1.00 0.00 C ATOM 0 HA PRO A 50 -16.081 -6.343 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.451 -4.860 4.425 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.528 -6.184 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.177 -6.156 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.755 -6.884 6.133 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.591 -8.366 5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.207 -8.783 4.869 1.00 0.00 H new ATOM 823 N THR A 51 -14.817 -4.049 2.711 1.00 0.00 N ATOM 824 CA THR A 51 -13.837 -2.984 2.543 1.00 0.00 C ATOM 825 C THR A 51 -12.819 -2.990 3.678 1.00 0.00 C ATOM 826 O THR A 51 -13.161 -3.256 4.830 1.00 0.00 O ATOM 827 CB THR A 51 -14.515 -1.602 2.484 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.634 -1.643 1.592 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.532 -0.536 2.024 1.00 0.00 C ATOM 0 H THR A 51 -15.788 -3.741 2.660 1.00 0.00 H new ATOM 0 HA THR A 51 -13.325 -3.170 1.599 1.00 0.00 H new ATOM 0 HB THR A 51 -14.859 -1.348 3.486 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.060 -0.761 1.561 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.034 0.431 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.696 -0.487 2.721 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.161 -0.787 1.030 1.00 0.00 H new ATOM 837 N MET A 52 -11.567 -2.693 3.345 1.00 0.00 N ATOM 838 CA MET A 52 -10.500 -2.663 4.338 1.00 0.00 C ATOM 839 C MET A 52 -9.937 -1.253 4.487 1.00 0.00 C ATOM 840 O MET A 52 -9.988 -0.451 3.554 1.00 0.00 O ATOM 841 CB MET A 52 -9.382 -3.632 3.946 1.00 0.00 C ATOM 842 CG MET A 52 -9.600 -5.047 4.456 1.00 0.00 C ATOM 843 SD MET A 52 -8.067 -5.992 4.557 1.00 0.00 S ATOM 844 CE MET A 52 -7.343 -5.634 2.959 1.00 0.00 C ATOM 0 H MET A 52 -11.267 -2.470 2.396 1.00 0.00 H new ATOM 0 HA MET A 52 -10.919 -2.972 5.296 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.296 -3.655 2.860 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.435 -3.257 4.333 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.063 -5.007 5.442 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.298 -5.563 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.678 -6.448 2.670 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.134 -5.531 2.216 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.776 -4.705 3.016 1.00 0.00 H new ATOM 854 N TYR A 53 -9.400 -0.957 5.666 1.00 0.00 N ATOM 855 CA TYR A 53 -8.830 0.357 5.938 1.00 0.00 C ATOM 856 C TYR A 53 -7.453 0.231 6.583 1.00 0.00 C ATOM 857 O TYR A 53 -7.300 0.282 7.803 1.00 0.00 O ATOM 858 CB TYR A 53 -9.760 1.161 6.848 1.00 0.00 C ATOM 859 CG TYR A 53 -11.136 1.383 6.262 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.297 2.009 5.033 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.276 0.965 6.939 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.553 2.215 4.495 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.535 1.165 6.408 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.669 1.790 5.186 1.00 0.00 C ATOM 865 OH TYR A 53 -14.921 1.992 4.653 1.00 0.00 O ATOM 0 H TYR A 53 -9.348 -1.610 6.448 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.720 0.881 4.988 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -9.860 0.642 7.801 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.303 2.128 7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.425 2.341 4.488 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.175 0.476 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.660 2.706 3.539 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.410 0.834 6.947 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.598 1.633 5.264 1.00 0.00 H new ATOM 875 N PRO A 54 -6.421 0.061 5.744 1.00 0.00 N ATOM 876 CA PRO A 54 -5.081 -0.063 6.324 1.00 0.00 C ATOM 877 C PRO A 54 -4.585 1.247 6.926 1.00 0.00 C ATOM 878 O PRO A 54 -5.077 2.331 6.613 1.00 0.00 O ATOM 879 CB PRO A 54 -4.212 -0.465 5.129 1.00 0.00 C ATOM 880 CG PRO A 54 -4.937 0.064 3.940 1.00 0.00 C ATOM 881 CD PRO A 54 -6.400 -0.024 4.274 1.00 0.00 C ATOM 0 HA PRO A 54 -5.058 -0.779 7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.212 -0.038 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.093 -1.547 5.072 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.646 1.093 3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.704 -0.520 3.049 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.966 0.788 3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.838 -0.957 3.919 1.00 0.00 H new ATOM 889 N PRO A 55 -3.585 1.151 7.814 1.00 0.00 N ATOM 890 CA PRO A 55 -3.081 2.390 8.414 1.00 0.00 C ATOM 891 C PRO A 55 -2.324 3.253 7.411 1.00 0.00 C ATOM 892 O PRO A 55 -2.306 2.962 6.216 1.00 0.00 O ATOM 893 CB PRO A 55 -2.138 1.894 9.513 1.00 0.00 C ATOM 894 CG PRO A 55 -1.704 0.543 9.059 1.00 0.00 C ATOM 895 CD PRO A 55 -2.874 -0.038 8.313 1.00 0.00 C ATOM 0 HA PRO A 55 -3.889 3.023 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.286 2.563 9.635 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.645 1.844 10.477 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.826 0.610 8.417 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.431 -0.085 9.907 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.550 -0.684 7.497 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.507 -0.641 8.965 1.00 0.00 H new ATOM 903 N TRP A 56 -1.698 4.315 7.906 1.00 0.00 N ATOM 904 CA TRP A 56 -0.938 5.221 7.052 1.00 0.00 C ATOM 905 C TRP A 56 0.559 5.081 7.307 1.00 0.00 C ATOM 906 O TRP A 56 1.005 5.084 8.454 1.00 0.00 O ATOM 907 CB TRP A 56 -1.376 6.667 7.290 1.00 0.00 C ATOM 908 CG TRP A 56 -2.496 7.103 6.395 1.00 0.00 C ATOM 909 CD1 TRP A 56 -3.768 7.429 6.774 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.446 7.259 4.973 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.511 7.778 5.672 1.00 0.00 N ATOM 912 CE2 TRP A 56 -3.723 7.683 4.556 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.447 7.084 4.012 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.024 7.932 3.219 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -1.748 7.332 2.686 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.027 7.753 2.300 1.00 0.00 C ATOM 0 H TRP A 56 -1.702 4.570 8.894 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.137 4.955 6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.686 6.779 8.329 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.522 7.327 7.139 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.135 7.414 7.790 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.491 8.062 5.683 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.458 6.761 4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.010 8.255 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.984 7.199 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.230 7.940 1.256 1.00 0.00 H new ATOM 927 N ASP A 57 1.329 4.959 6.231 1.00 0.00 N ATOM 928 CA ASP A 57 2.776 4.819 6.339 1.00 0.00 C ATOM 929 C ASP A 57 3.144 3.589 7.163 1.00 0.00 C ATOM 930 O ASP A 57 4.213 3.533 7.771 1.00 0.00 O ATOM 931 CB ASP A 57 3.385 6.072 6.971 1.00 0.00 C ATOM 932 CG ASP A 57 3.616 7.177 5.959 1.00 0.00 C ATOM 933 OD1 ASP A 57 2.767 7.343 5.058 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.646 7.875 6.067 1.00 0.00 O ATOM 0 H ASP A 57 0.975 4.954 5.274 1.00 0.00 H new ATOM 0 HA ASP A 57 3.180 4.695 5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.724 6.436 7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.332 5.813 7.444 1.00 0.00 H new ATOM 939 N SER A 58 2.250 2.605 7.180 1.00 0.00 N ATOM 940 CA SER A 58 2.478 1.378 7.933 1.00 0.00 C ATOM 941 C SER A 58 2.187 0.151 7.074 1.00 0.00 C ATOM 942 O SER A 58 1.818 0.270 5.905 1.00 0.00 O ATOM 943 CB SER A 58 1.603 1.355 9.188 1.00 0.00 C ATOM 944 OG SER A 58 2.244 2.011 10.269 1.00 0.00 O ATOM 0 H SER A 58 1.361 2.634 6.681 1.00 0.00 H new ATOM 0 HA SER A 58 3.527 1.352 8.229 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.649 1.839 8.979 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.383 0.323 9.463 1.00 0.00 H new ATOM 0 HG SER A 58 1.664 1.984 11.058 1.00 0.00 H new ATOM 950 N THR A 59 2.356 -1.029 7.662 1.00 0.00 N ATOM 951 CA THR A 59 2.113 -2.279 6.953 1.00 0.00 C ATOM 952 C THR A 59 0.898 -3.005 7.518 1.00 0.00 C ATOM 953 O THR A 59 0.638 -2.957 8.721 1.00 0.00 O ATOM 954 CB THR A 59 3.336 -3.212 7.025 1.00 0.00 C ATOM 955 OG1 THR A 59 3.906 -3.173 8.338 1.00 0.00 O ATOM 956 CG2 THR A 59 4.385 -2.811 5.999 1.00 0.00 C ATOM 0 H THR A 59 2.661 -1.145 8.629 1.00 0.00 H new ATOM 0 HA THR A 59 1.924 -2.020 5.911 1.00 0.00 H new ATOM 0 HB THR A 59 3.004 -4.226 6.804 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.191 -3.092 9.003 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.239 -3.485 6.069 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.957 -2.871 4.998 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.712 -1.789 6.193 1.00 0.00 H new ATOM 964 N PHE A 60 0.158 -3.680 6.645 1.00 0.00 N ATOM 965 CA PHE A 60 -1.030 -4.418 7.058 1.00 0.00 C ATOM 966 C PHE A 60 -0.930 -5.884 6.647 1.00 0.00 C ATOM 967 O PHE A 60 0.068 -6.310 6.067 1.00 0.00 O ATOM 968 CB PHE A 60 -2.284 -3.789 6.448 1.00 0.00 C ATOM 969 CG PHE A 60 -2.199 -3.606 4.959 1.00 0.00 C ATOM 970 CD1 PHE A 60 -1.674 -2.443 4.420 1.00 0.00 C ATOM 971 CD2 PHE A 60 -2.644 -4.597 4.100 1.00 0.00 C ATOM 972 CE1 PHE A 60 -1.596 -2.271 3.051 1.00 0.00 C ATOM 973 CE2 PHE A 60 -2.567 -4.432 2.729 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.042 -3.268 2.205 1.00 0.00 C ATOM 0 H PHE A 60 0.360 -3.731 5.647 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.099 -4.368 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.145 -4.416 6.681 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.459 -2.820 6.916 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.322 -1.662 5.077 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.056 -5.509 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.187 -1.358 2.643 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.917 -5.212 2.070 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.980 -3.137 1.135 1.00 0.00 H new ATOM 984 N ASP A 61 -1.972 -6.649 6.953 1.00 0.00 N ATOM 985 CA ASP A 61 -2.003 -8.068 6.615 1.00 0.00 C ATOM 986 C ASP A 61 -2.901 -8.319 5.407 1.00 0.00 C ATOM 987 O ASP A 61 -3.852 -7.578 5.164 1.00 0.00 O ATOM 988 CB ASP A 61 -2.494 -8.887 7.810 1.00 0.00 C ATOM 989 CG ASP A 61 -3.905 -8.521 8.223 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.855 -8.947 7.533 1.00 0.00 O ATOM 991 OD2 ASP A 61 -4.060 -7.809 9.237 1.00 0.00 O ATOM 0 H ASP A 61 -2.806 -6.311 7.434 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.989 -8.379 6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.455 -9.947 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.821 -8.733 8.653 1.00 0.00 H new ATOM 996 N ALA A 62 -2.589 -9.369 4.654 1.00 0.00 N ATOM 997 CA ALA A 62 -3.368 -9.718 3.472 1.00 0.00 C ATOM 998 C ALA A 62 -3.208 -11.195 3.126 1.00 0.00 C ATOM 999 O ALA A 62 -2.146 -11.625 2.674 1.00 0.00 O ATOM 1000 CB ALA A 62 -2.955 -8.850 2.292 1.00 0.00 C ATOM 0 H ALA A 62 -1.803 -9.992 4.841 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.420 -9.535 3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.545 -9.122 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.127 -7.801 2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.897 -9.005 2.079 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.268 -11.967 3.341 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.244 -13.396 3.052 1.00 0.00 C ATOM 1008 C HIS A 63 -3.916 -13.648 1.584 1.00 0.00 C ATOM 1009 O HIS A 63 -4.040 -12.752 0.748 1.00 0.00 O ATOM 1010 CB HIS A 63 -5.591 -14.031 3.401 1.00 0.00 C ATOM 1011 CG HIS A 63 -5.734 -14.372 4.853 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.954 -14.579 5.461 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -4.801 -14.544 5.818 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -6.766 -14.861 6.737 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -5.467 -14.847 6.980 1.00 0.00 N ATOM 0 H HIS A 63 -5.154 -11.627 3.714 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.466 -13.852 3.664 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.391 -13.347 3.116 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.721 -14.937 2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.731 -14.459 5.697 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.542 -15.068 7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.030 -15.031 7.883 1.00 0.00 H new ATOM 1023 N ILE A 64 -3.495 -14.871 1.278 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.149 -15.239 -0.089 1.00 0.00 C ATOM 1025 C ILE A 64 -4.031 -16.377 -0.592 1.00 0.00 C ATOM 1026 O ILE A 64 -4.418 -17.260 0.172 1.00 0.00 O ATOM 1027 CB ILE A 64 -1.672 -15.661 -0.202 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -0.761 -14.555 0.334 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -1.324 -15.989 -1.646 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.677 -14.990 0.512 1.00 0.00 C ATOM 0 H ILE A 64 -3.385 -15.623 1.958 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.314 -14.355 -0.705 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.518 -16.556 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.793 -13.706 -0.349 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.149 -14.209 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.277 -16.285 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.955 -16.807 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.491 -15.110 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.265 -14.156 0.895 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.722 -15.819 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.082 -15.309 -0.448 1.00 0.00 H new ATOM 1042 N ASN A 65 -4.344 -16.350 -1.883 1.00 0.00 N ATOM 1043 CA ASN A 65 -5.179 -17.381 -2.489 1.00 0.00 C ATOM 1044 C ASN A 65 -4.870 -17.527 -3.976 1.00 0.00 C ATOM 1045 O ASN A 65 -4.265 -16.645 -4.586 1.00 0.00 O ATOM 1046 CB ASN A 65 -6.659 -17.046 -2.296 1.00 0.00 C ATOM 1047 CG ASN A 65 -7.215 -17.610 -1.002 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -7.659 -18.757 -0.953 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -7.194 -16.803 0.052 1.00 0.00 N ATOM 0 H ASN A 65 -4.032 -15.626 -2.530 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.959 -18.328 -1.995 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.788 -15.964 -2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.231 -17.440 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.556 -17.126 0.949 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.816 -15.860 -0.035 1.00 0.00 H new ATOM 1056 N LYS A 66 -5.289 -18.648 -4.554 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.059 -18.911 -5.970 1.00 0.00 C ATOM 1058 C LYS A 66 -5.959 -18.039 -6.839 1.00 0.00 C ATOM 1059 O LYS A 66 -6.981 -18.498 -7.348 1.00 0.00 O ATOM 1060 CB LYS A 66 -5.308 -20.389 -6.282 1.00 0.00 C ATOM 1061 CG LYS A 66 -4.405 -21.334 -5.509 1.00 0.00 C ATOM 1062 CD LYS A 66 -5.057 -22.692 -5.312 1.00 0.00 C ATOM 1063 CE LYS A 66 -4.859 -23.587 -6.527 1.00 0.00 C ATOM 1064 NZ LYS A 66 -5.938 -23.400 -7.535 1.00 0.00 N ATOM 0 H LYS A 66 -5.790 -19.389 -4.064 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.021 -18.668 -6.195 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.347 -20.629 -6.058 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.165 -20.555 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.462 -21.456 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.168 -20.899 -4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.635 -23.175 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.123 -22.561 -5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.893 -23.370 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.835 -24.630 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.445 -24.298 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.603 -22.673 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.521 -23.098 -8.438 1.00 0.00 H new ATOM 1078 N GLY A 67 -5.572 -16.778 -7.005 1.00 0.00 N ATOM 1079 CA GLY A 67 -6.355 -15.862 -7.814 1.00 0.00 C ATOM 1080 C GLY A 67 -7.042 -14.797 -6.983 1.00 0.00 C ATOM 1081 O GLY A 67 -8.257 -14.838 -6.791 1.00 0.00 O ATOM 0 H GLY A 67 -4.730 -16.374 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.706 -15.384 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.105 -16.424 -8.371 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.263 -13.840 -6.488 1.00 0.00 N ATOM 1086 CA ARG A 68 -6.804 -12.761 -5.670 1.00 0.00 C ATOM 1087 C ARG A 68 -6.422 -11.400 -6.245 1.00 0.00 C ATOM 1088 O ARG A 68 -5.305 -11.209 -6.727 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.298 -12.880 -4.232 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.149 -12.127 -3.222 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.032 -12.733 -1.833 1.00 0.00 C ATOM 1092 NE ARG A 68 -8.254 -12.556 -1.053 1.00 0.00 N ATOM 1093 CZ ARG A 68 -8.409 -13.013 0.184 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -7.424 -13.670 0.780 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -9.552 -12.812 0.829 1.00 0.00 N ATOM 0 H ARG A 68 -5.256 -13.790 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.891 -12.845 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.265 -13.933 -3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.275 -12.506 -4.184 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.840 -11.082 -3.191 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.191 -12.142 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.808 -13.796 -1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.196 -12.273 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.031 -12.054 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.544 -13.826 0.288 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.546 -14.020 1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.312 -12.306 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.670 -13.164 1.779 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.357 -10.457 -6.190 1.00 0.00 N ATOM 1110 CA VAL A 69 -7.119 -9.114 -6.705 1.00 0.00 C ATOM 1111 C VAL A 69 -7.389 -8.060 -5.636 1.00 0.00 C ATOM 1112 O VAL A 69 -8.325 -8.189 -4.846 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.999 -8.819 -7.934 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -7.647 -9.756 -9.079 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.472 -8.933 -7.574 1.00 0.00 C ATOM 0 H VAL A 69 -8.286 -10.598 -5.794 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.070 -9.070 -7.000 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.807 -7.797 -8.260 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.279 -9.533 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.601 -9.620 -9.352 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.809 -10.788 -8.768 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.079 -8.721 -8.454 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.683 -9.943 -7.222 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.711 -8.217 -6.788 1.00 0.00 H new ATOM 1125 N MET A 70 -6.564 -7.019 -5.618 1.00 0.00 N ATOM 1126 CA MET A 70 -6.716 -5.941 -4.647 1.00 0.00 C ATOM 1127 C MET A 70 -6.865 -4.595 -5.347 1.00 0.00 C ATOM 1128 O MET A 70 -6.060 -4.241 -6.208 1.00 0.00 O ATOM 1129 CB MET A 70 -5.514 -5.907 -3.700 1.00 0.00 C ATOM 1130 CG MET A 70 -5.487 -4.684 -2.797 1.00 0.00 C ATOM 1131 SD MET A 70 -4.319 -4.853 -1.434 1.00 0.00 S ATOM 1132 CE MET A 70 -2.783 -5.067 -2.329 1.00 0.00 C ATOM 0 H MET A 70 -5.784 -6.898 -6.264 1.00 0.00 H new ATOM 0 HA MET A 70 -7.620 -6.131 -4.069 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.523 -6.805 -3.082 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.597 -5.934 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.225 -3.806 -3.388 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.486 -4.511 -2.395 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.950 -5.078 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.809 -6.010 -2.876 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.653 -4.244 -3.031 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.900 -3.849 -4.973 1.00 0.00 N ATOM 1143 CA GLN A 71 -8.154 -2.542 -5.567 1.00 0.00 C ATOM 1144 C GLN A 71 -7.963 -1.431 -4.540 1.00 0.00 C ATOM 1145 O GLN A 71 -8.548 -1.467 -3.457 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.571 -2.486 -6.140 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.895 -1.172 -6.833 1.00 0.00 C ATOM 1148 CD GLN A 71 -11.371 -1.026 -7.147 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -12.224 -1.546 -6.428 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.679 -0.317 -8.226 1.00 0.00 N ATOM 0 H GLN A 71 -8.576 -4.128 -4.262 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.437 -2.392 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.700 -3.303 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.287 -2.648 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.579 -0.344 -6.199 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.322 -1.102 -7.758 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.939 0.096 -8.793 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.656 -0.185 -8.488 1.00 0.00 H new ATOM 1159 N ILE A 72 -7.142 -0.445 -4.887 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.876 0.676 -3.995 1.00 0.00 C ATOM 1161 C ILE A 72 -7.581 1.940 -4.475 1.00 0.00 C ATOM 1162 O ILE A 72 -7.400 2.369 -5.615 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.366 0.957 -3.878 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.621 -0.311 -3.458 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -5.112 2.082 -2.886 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -3.123 -0.125 -3.353 1.00 0.00 C ATOM 0 H ILE A 72 -6.650 -0.400 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.262 0.397 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.992 1.269 -4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.006 -0.647 -2.495 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.831 -1.102 -4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.041 2.269 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.616 2.987 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.497 1.797 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.660 -1.064 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.726 0.181 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.903 0.643 -2.611 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.385 2.533 -3.598 1.00 0.00 N ATOM 1179 CA ILE A 73 -9.115 3.749 -3.932 1.00 0.00 C ATOM 1180 C ILE A 73 -8.974 4.795 -2.831 1.00 0.00 C ATOM 1181 O ILE A 73 -9.516 4.637 -1.737 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.610 3.463 -4.164 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.787 2.439 -5.288 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -11.351 4.750 -4.491 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -12.151 1.785 -5.299 1.00 0.00 C ATOM 0 H ILE A 73 -8.547 2.191 -2.651 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.680 4.134 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.032 3.047 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.621 2.931 -6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -10.024 1.667 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.407 4.531 -4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.248 5.450 -3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.930 5.193 -5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -12.206 1.071 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.312 1.264 -4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.919 2.547 -5.429 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.243 5.864 -3.128 1.00 0.00 N ATOM 1198 CA VAL A 74 -8.032 6.938 -2.164 1.00 0.00 C ATOM 1199 C VAL A 74 -9.124 7.997 -2.275 1.00 0.00 C ATOM 1200 O VAL A 74 -9.062 8.882 -3.129 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.660 7.609 -2.362 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.382 8.597 -1.239 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.562 6.559 -2.444 1.00 0.00 C ATOM 0 H VAL A 74 -7.787 6.010 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.067 6.486 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.676 8.160 -3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.408 9.061 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.154 9.366 -1.232 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.384 8.072 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.599 7.050 -2.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.543 5.979 -1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.756 5.894 -3.286 1.00 0.00 H new ATOM 1213 N LYS A 75 -10.123 7.902 -1.405 1.00 0.00 N ATOM 1214 CA LYS A 75 -11.229 8.852 -1.402 1.00 0.00 C ATOM 1215 C LYS A 75 -11.300 9.601 -0.075 1.00 0.00 C ATOM 1216 O LYS A 75 -10.980 9.050 0.977 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.552 8.127 -1.662 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.911 7.114 -0.589 1.00 0.00 C ATOM 1219 CD LYS A 75 -12.359 5.737 -0.915 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.358 4.910 -1.711 1.00 0.00 C ATOM 1221 NZ LYS A 75 -14.448 4.377 -0.848 1.00 0.00 N ATOM 0 H LYS A 75 -10.190 7.176 -0.692 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.055 9.576 -2.198 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.352 8.864 -1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.495 7.619 -2.625 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.518 7.446 0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.995 7.058 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.435 5.840 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.108 5.216 0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.788 5.523 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.840 4.082 -2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.369 4.665 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.393 3.339 -0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.344 4.755 0.115 1.00 0.00 H new ATOM 1325 N ILE A 82 -9.856 10.744 -6.137 1.00 0.00 N ATOM 1326 CA ILE A 82 -8.670 11.392 -6.682 1.00 0.00 C ATOM 1327 C ILE A 82 -8.029 10.539 -7.772 1.00 0.00 C ATOM 1328 O ILE A 82 -7.718 11.031 -8.857 1.00 0.00 O ATOM 1329 CB ILE A 82 -7.626 11.672 -5.585 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -8.229 12.555 -4.490 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -6.391 12.329 -6.183 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.885 11.772 -3.375 1.00 0.00 C ATOM 0 HA ILE A 82 -8.998 12.339 -7.110 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.328 10.724 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.445 13.184 -4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.966 13.222 -4.937 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.663 12.520 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.952 11.667 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.672 13.271 -6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.290 12.462 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.692 11.163 -3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -8.147 11.125 -2.902 1.00 0.00 H new ATOM 1344 N SER A 83 -7.836 9.258 -7.476 1.00 0.00 N ATOM 1345 CA SER A 83 -7.231 8.336 -8.430 1.00 0.00 C ATOM 1346 C SER A 83 -7.510 6.888 -8.038 1.00 0.00 C ATOM 1347 O SER A 83 -7.961 6.611 -6.928 1.00 0.00 O ATOM 1348 CB SER A 83 -5.722 8.573 -8.513 1.00 0.00 C ATOM 1349 OG SER A 83 -5.086 8.242 -7.290 1.00 0.00 O ATOM 0 H SER A 83 -8.090 8.835 -6.583 1.00 0.00 H new ATOM 0 HA SER A 83 -7.675 8.521 -9.408 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.300 7.974 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.528 9.617 -8.757 1.00 0.00 H new ATOM 0 HG SER A 83 -4.155 8.547 -7.312 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.236 5.969 -8.959 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.459 4.550 -8.710 1.00 0.00 C ATOM 1357 C GLU A 84 -6.399 3.702 -9.410 1.00 0.00 C ATOM 1358 O GLU A 84 -5.747 4.155 -10.351 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.853 4.138 -9.187 1.00 0.00 C ATOM 1360 CG GLU A 84 -9.055 4.293 -10.685 1.00 0.00 C ATOM 1361 CD GLU A 84 -9.575 5.666 -11.064 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -10.633 6.067 -10.536 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -8.922 6.340 -11.888 1.00 0.00 O ATOM 0 H GLU A 84 -6.860 6.182 -9.883 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.386 4.380 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.030 3.098 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.598 4.738 -8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.109 4.113 -11.196 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.755 3.534 -11.034 1.00 0.00 H new ATOM 1370 N THR A 85 -6.233 2.469 -8.942 1.00 0.00 N ATOM 1371 CA THR A 85 -5.253 1.558 -9.520 1.00 0.00 C ATOM 1372 C THR A 85 -5.620 0.106 -9.240 1.00 0.00 C ATOM 1373 O THR A 85 -6.353 -0.190 -8.296 1.00 0.00 O ATOM 1374 CB THR A 85 -3.839 1.834 -8.973 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.873 1.077 -9.710 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.752 1.477 -7.497 1.00 0.00 C ATOM 0 H THR A 85 -6.765 2.078 -8.164 1.00 0.00 H new ATOM 0 HA THR A 85 -5.258 1.729 -10.596 1.00 0.00 H new ATOM 0 HB THR A 85 -3.630 2.898 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.977 1.259 -9.358 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.745 1.680 -7.132 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.469 2.076 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.980 0.419 -7.364 1.00 0.00 H new ATOM 1384 N THR A 86 -5.105 -0.800 -10.066 1.00 0.00 N ATOM 1385 CA THR A 86 -5.379 -2.223 -9.907 1.00 0.00 C ATOM 1386 C THR A 86 -4.102 -2.998 -9.604 1.00 0.00 C ATOM 1387 O THR A 86 -3.023 -2.651 -10.085 1.00 0.00 O ATOM 1388 CB THR A 86 -6.037 -2.812 -11.168 1.00 0.00 C ATOM 1389 OG1 THR A 86 -7.144 -1.998 -11.569 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.512 -4.235 -10.916 1.00 0.00 C ATOM 0 H THR A 86 -4.496 -0.573 -10.852 1.00 0.00 H new ATOM 0 HA THR A 86 -6.068 -2.321 -9.068 1.00 0.00 H new ATOM 0 HB THR A 86 -5.293 -2.830 -11.964 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.556 -2.379 -12.373 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.973 -4.630 -11.821 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.662 -4.859 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.242 -4.237 -10.106 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.230 -4.051 -8.803 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.086 -4.878 -8.438 1.00 0.00 C ATOM 1400 C VAL A 87 -3.527 -6.282 -8.040 1.00 0.00 C ATOM 1401 O VAL A 87 -4.612 -6.470 -7.492 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.290 -4.253 -7.276 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -3.157 -4.150 -6.030 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -1.033 -5.062 -6.996 1.00 0.00 C ATOM 0 H VAL A 87 -5.115 -4.352 -8.394 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.445 -4.938 -9.318 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.989 -3.246 -7.564 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.578 -3.706 -5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.024 -3.525 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.490 -5.145 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.483 -4.606 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.309 -6.082 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.405 -5.078 -7.887 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.676 -7.265 -8.319 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.979 -8.653 -7.990 1.00 0.00 C ATOM 1416 C GLU A 88 -2.357 -9.043 -6.653 1.00 0.00 C ATOM 1417 O GLU A 88 -1.228 -8.659 -6.345 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.472 -9.584 -9.093 1.00 0.00 C ATOM 1419 CG GLU A 88 -3.365 -9.615 -10.321 1.00 0.00 C ATOM 1420 CD GLU A 88 -2.672 -10.210 -11.532 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -1.595 -9.701 -11.907 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -3.205 -11.183 -12.103 1.00 0.00 O ATOM 0 H GLU A 88 -1.773 -7.126 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.061 -8.753 -7.910 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.471 -9.271 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.384 -10.594 -8.692 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.261 -10.194 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.690 -8.601 -10.555 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.100 -9.809 -5.862 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.622 -10.252 -4.556 1.00 0.00 C ATOM 1431 C LEU A 89 -1.933 -11.608 -4.661 1.00 0.00 C ATOM 1432 O LEU A 89 -0.934 -11.862 -3.987 1.00 0.00 O ATOM 1433 CB LEU A 89 -3.785 -10.333 -3.566 1.00 0.00 C ATOM 1434 CG LEU A 89 -4.075 -9.063 -2.765 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.380 -9.203 -1.997 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -2.925 -8.757 -1.817 1.00 0.00 C ATOM 0 H LEU A 89 -4.036 -10.137 -6.102 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.896 -9.523 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.686 -10.605 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.583 -11.143 -2.865 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.176 -8.231 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.570 -8.290 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.198 -9.374 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.309 -10.046 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.148 -7.850 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.792 -9.589 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.009 -8.612 -2.390 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.471 -12.476 -5.511 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.908 -13.807 -5.703 1.00 0.00 C ATOM 1450 C TYR A 90 -0.544 -13.728 -6.384 1.00 0.00 C ATOM 1451 O TYR A 90 0.473 -14.111 -5.806 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.857 -14.670 -6.537 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.265 -15.999 -6.947 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -1.709 -16.854 -6.003 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -2.260 -16.399 -8.277 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -1.166 -18.070 -6.373 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.721 -17.613 -8.656 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.175 -18.445 -7.700 1.00 0.00 C ATOM 1459 OH TYR A 90 -0.635 -19.655 -8.074 1.00 0.00 O ATOM 0 H TYR A 90 -3.296 -12.281 -6.078 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.779 -14.264 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.768 -14.848 -5.966 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.144 -14.118 -7.432 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -1.701 -16.563 -4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.685 -15.750 -9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.737 -18.723 -5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.727 -17.909 -9.695 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.723 -19.767 -9.044 1.00 0.00 H new ATOM 1469 N SER A 91 -0.533 -13.228 -7.615 1.00 0.00 N ATOM 1470 CA SER A 91 0.704 -13.101 -8.377 1.00 0.00 C ATOM 1471 C SER A 91 1.759 -12.344 -7.577 1.00 0.00 C ATOM 1472 O SER A 91 2.948 -12.661 -7.638 1.00 0.00 O ATOM 1473 CB SER A 91 0.440 -12.383 -9.702 1.00 0.00 C ATOM 1474 OG SER A 91 -0.637 -12.983 -10.401 1.00 0.00 O ATOM 0 H SER A 91 -1.366 -12.904 -8.106 1.00 0.00 H new ATOM 0 HA SER A 91 1.079 -14.103 -8.583 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.215 -11.334 -9.512 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.338 -12.410 -10.319 1.00 0.00 H new ATOM 0 HG SER A 91 -0.787 -12.505 -11.243 1.00 0.00 H new ATOM 1480 N LEU A 92 1.317 -11.341 -6.827 1.00 0.00 N ATOM 1481 CA LEU A 92 2.223 -10.536 -6.014 1.00 0.00 C ATOM 1482 C LEU A 92 3.019 -11.415 -5.054 1.00 0.00 C ATOM 1483 O LEU A 92 4.223 -11.230 -4.881 1.00 0.00 O ATOM 1484 CB LEU A 92 1.436 -9.486 -5.227 1.00 0.00 C ATOM 1485 CG LEU A 92 2.226 -8.703 -4.178 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.421 -8.011 -4.816 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.330 -7.689 -3.483 1.00 0.00 C ATOM 0 H LEU A 92 0.337 -11.065 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 92 2.922 -10.033 -6.682 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.007 -8.776 -5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.603 -9.983 -4.730 1.00 0.00 H new ATOM 0 HG LEU A 92 2.595 -9.405 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.971 -7.459 -4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.075 -8.757 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.074 -7.321 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.909 -7.141 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.931 -6.991 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.507 -8.207 -2.991 1.00 0.00 H new ATOM 1499 N ALA A 93 2.338 -12.374 -4.434 1.00 0.00 N ATOM 1500 CA ALA A 93 2.982 -13.284 -3.496 1.00 0.00 C ATOM 1501 C ALA A 93 4.209 -13.939 -4.121 1.00 0.00 C ATOM 1502 O ALA A 93 5.210 -14.175 -3.445 1.00 0.00 O ATOM 1503 CB ALA A 93 1.996 -14.345 -3.028 1.00 0.00 C ATOM 0 H ALA A 93 1.340 -12.540 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 93 3.311 -12.704 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.491 -15.018 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.151 -13.864 -2.534 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.639 -14.914 -3.887 1.00 0.00 H new ATOM 1509 N GLU A 94 4.124 -14.231 -5.416 1.00 0.00 N ATOM 1510 CA GLU A 94 5.228 -14.860 -6.130 1.00 0.00 C ATOM 1511 C GLU A 94 6.364 -13.868 -6.359 1.00 0.00 C ATOM 1512 O GLU A 94 7.534 -14.188 -6.148 1.00 0.00 O ATOM 1513 CB GLU A 94 4.745 -15.417 -7.472 1.00 0.00 C ATOM 1514 CG GLU A 94 3.989 -16.729 -7.349 1.00 0.00 C ATOM 1515 CD GLU A 94 4.898 -17.938 -7.447 1.00 0.00 C ATOM 1516 OE1 GLU A 94 5.859 -17.896 -8.244 1.00 0.00 O ATOM 1517 OE2 GLU A 94 4.649 -18.927 -6.726 1.00 0.00 O ATOM 0 H GLU A 94 3.303 -14.042 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 94 5.603 -15.680 -5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.101 -14.680 -7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.605 -15.563 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.462 -16.752 -6.395 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.233 -16.783 -8.132 1.00 0.00 H new ATOM 1524 N ARG A 95 6.011 -12.662 -6.792 1.00 0.00 N ATOM 1525 CA ARG A 95 7.001 -11.623 -7.050 1.00 0.00 C ATOM 1526 C ARG A 95 7.907 -11.422 -5.840 1.00 0.00 C ATOM 1527 O ARG A 95 9.127 -11.314 -5.976 1.00 0.00 O ATOM 1528 CB ARG A 95 6.308 -10.306 -7.406 1.00 0.00 C ATOM 1529 CG ARG A 95 5.716 -10.289 -8.806 1.00 0.00 C ATOM 1530 CD ARG A 95 5.218 -8.902 -9.183 1.00 0.00 C ATOM 1531 NE ARG A 95 4.878 -8.809 -10.600 1.00 0.00 N ATOM 1532 CZ ARG A 95 3.730 -9.241 -11.110 1.00 0.00 C ATOM 1533 NH1 ARG A 95 2.817 -9.793 -10.323 1.00 0.00 N ATOM 1534 NH2 ARG A 95 3.494 -9.122 -12.410 1.00 0.00 N ATOM 0 H ARG A 95 5.047 -12.380 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 95 7.615 -11.943 -7.892 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.515 -10.115 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.026 -9.491 -7.314 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.468 -10.614 -9.524 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.892 -11.001 -8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.342 -8.656 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.985 -8.165 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 95 5.559 -8.389 -11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.995 -9.887 -9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 95 1.936 -10.124 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.194 -8.699 -13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 95 2.612 -9.454 -12.801 1.00 0.00 H new ATOM 1548 N CYS A 96 7.304 -11.373 -4.657 1.00 0.00 N ATOM 1549 CA CYS A 96 8.057 -11.183 -3.422 1.00 0.00 C ATOM 1550 C CYS A 96 9.133 -12.253 -3.272 1.00 0.00 C ATOM 1551 O CYS A 96 10.296 -11.946 -3.009 1.00 0.00 O ATOM 1552 CB CYS A 96 7.116 -11.216 -2.217 1.00 0.00 C ATOM 1553 SG CYS A 96 5.738 -10.049 -2.324 1.00 0.00 S ATOM 0 H CYS A 96 6.296 -11.462 -4.527 1.00 0.00 H new ATOM 0 HA CYS A 96 8.543 -10.209 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.717 -12.224 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.690 -11.002 -1.315 1.00 0.00 H new ATOM 0 HG CYS A 96 4.981 -10.363 -3.333 1.00 0.00 H new ATOM 1559 N ARG A 97 8.737 -13.511 -3.439 1.00 0.00 N ATOM 1560 CA ARG A 97 9.667 -14.627 -3.319 1.00 0.00 C ATOM 1561 C ARG A 97 10.850 -14.453 -4.266 1.00 0.00 C ATOM 1562 O ARG A 97 11.987 -14.780 -3.924 1.00 0.00 O ATOM 1563 CB ARG A 97 8.953 -15.948 -3.614 1.00 0.00 C ATOM 1564 CG ARG A 97 7.826 -16.261 -2.644 1.00 0.00 C ATOM 1565 CD ARG A 97 6.932 -17.373 -3.169 1.00 0.00 C ATOM 1566 NE ARG A 97 7.695 -18.564 -3.532 1.00 0.00 N ATOM 1567 CZ ARG A 97 8.160 -19.437 -2.646 1.00 0.00 C ATOM 1568 NH1 ARG A 97 7.941 -19.253 -1.352 1.00 0.00 N ATOM 1569 NH2 ARG A 97 8.846 -20.497 -3.054 1.00 0.00 N ATOM 0 H ARG A 97 7.778 -13.782 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 97 10.043 -14.646 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.551 -15.916 -4.627 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.681 -16.759 -3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.244 -16.553 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.231 -15.364 -2.474 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.194 -17.633 -2.410 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.382 -17.015 -4.040 1.00 0.00 H new ATOM 0 HE ARG A 97 7.881 -18.735 -4.520 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.414 -18.439 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.299 -19.925 -0.673 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.017 -20.642 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.203 -21.167 -2.373 1.00 0.00 H new ATOM 1583 N LYS A 98 10.576 -13.937 -5.459 1.00 0.00 N ATOM 1584 CA LYS A 98 11.616 -13.718 -6.457 1.00 0.00 C ATOM 1585 C LYS A 98 12.722 -12.825 -5.903 1.00 0.00 C ATOM 1586 O LYS A 98 13.865 -12.886 -6.353 1.00 0.00 O ATOM 1587 CB LYS A 98 11.019 -13.086 -7.716 1.00 0.00 C ATOM 1588 CG LYS A 98 9.841 -13.859 -8.284 1.00 0.00 C ATOM 1589 CD LYS A 98 9.748 -13.704 -9.793 1.00 0.00 C ATOM 1590 CE LYS A 98 10.644 -14.702 -10.511 1.00 0.00 C ATOM 1591 NZ LYS A 98 10.792 -14.375 -11.956 1.00 0.00 N ATOM 0 H LYS A 98 9.641 -13.662 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 98 12.048 -14.685 -6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.699 -12.070 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.795 -13.011 -8.478 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.941 -14.915 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.918 -13.507 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.715 -13.845 -10.112 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.032 -12.690 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.626 -14.713 -10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.228 -15.704 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.410 -15.078 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.858 -14.389 -12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.212 -13.429 -12.057 1.00 0.00 H new ATOM 1605 N ASN A 99 12.374 -11.998 -4.922 1.00 0.00 N ATOM 1606 CA ASN A 99 13.338 -11.094 -4.306 1.00 0.00 C ATOM 1607 C ASN A 99 13.919 -11.703 -3.034 1.00 0.00 C ATOM 1608 O ASN A 99 14.350 -10.986 -2.132 1.00 0.00 O ATOM 1609 CB ASN A 99 12.677 -9.751 -3.987 1.00 0.00 C ATOM 1610 CG ASN A 99 12.692 -8.803 -5.170 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.296 -7.732 -5.113 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.026 -9.194 -6.250 1.00 0.00 N ATOM 0 H ASN A 99 11.432 -11.936 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 99 14.151 -10.932 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.647 -9.922 -3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.192 -9.286 -3.146 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.001 -8.598 -7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.539 -10.090 -6.252 1.00 0.00 H new ATOM 1619 N ASN A 100 13.927 -13.030 -2.970 1.00 0.00 N ATOM 1620 CA ASN A 100 14.455 -13.736 -1.808 1.00 0.00 C ATOM 1621 C ASN A 100 13.734 -13.305 -0.535 1.00 0.00 C ATOM 1622 O ASN A 100 14.286 -13.384 0.562 1.00 0.00 O ATOM 1623 CB ASN A 100 15.957 -13.480 -1.669 1.00 0.00 C ATOM 1624 CG ASN A 100 16.786 -14.430 -2.511 1.00 0.00 C ATOM 1625 OD1 ASN A 100 17.367 -14.035 -3.522 1.00 0.00 O ATOM 1626 ND2 ASN A 100 16.844 -15.690 -2.097 1.00 0.00 N ATOM 0 H ASN A 100 13.574 -13.638 -3.709 1.00 0.00 H new ATOM 0 HA ASN A 100 14.287 -14.803 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.176 -12.453 -1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.245 -13.581 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.386 -16.375 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 100 16.346 -15.973 -1.253 1.00 0.00 H new ATOM 1633 N GLY A 101 12.495 -12.847 -0.689 1.00 0.00 N ATOM 1634 CA GLY A 101 11.718 -12.410 0.456 1.00 0.00 C ATOM 1635 C GLY A 101 10.628 -11.428 0.076 1.00 0.00 C ATOM 1636 O GLY A 101 9.484 -11.818 -0.161 1.00 0.00 O ATOM 0 H GLY A 101 12.016 -12.771 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.269 -13.278 0.939 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.382 -11.947 1.186 1.00 0.00 H new ATOM 1640 N LYS A 102 10.980 -10.148 0.020 1.00 0.00 N ATOM 1641 CA LYS A 102 10.025 -9.105 -0.333 1.00 0.00 C ATOM 1642 C LYS A 102 10.492 -8.332 -1.562 1.00 0.00 C ATOM 1643 O LYS A 102 11.691 -8.153 -1.777 1.00 0.00 O ATOM 1644 CB LYS A 102 9.829 -8.145 0.842 1.00 0.00 C ATOM 1645 CG LYS A 102 11.079 -7.361 1.202 1.00 0.00 C ATOM 1646 CD LYS A 102 11.147 -6.043 0.449 1.00 0.00 C ATOM 1647 CE LYS A 102 11.885 -4.981 1.249 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.655 -3.615 0.702 1.00 0.00 N ATOM 0 H LYS A 102 11.922 -9.808 0.215 1.00 0.00 H new ATOM 0 HA LYS A 102 9.074 -9.583 -0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.029 -7.446 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.503 -8.713 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.093 -7.169 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.962 -7.958 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.649 -6.194 -0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.137 -5.697 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.557 -5.016 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.953 -5.199 1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.119 -2.913 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.052 -3.554 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.634 -3.422 0.667 1.00 0.00 H new ATOM 1662 N THR A 103 9.537 -7.875 -2.366 1.00 0.00 N ATOM 1663 CA THR A 103 9.851 -7.121 -3.574 1.00 0.00 C ATOM 1664 C THR A 103 9.231 -5.729 -3.529 1.00 0.00 C ATOM 1665 O THR A 103 8.289 -5.483 -2.776 1.00 0.00 O ATOM 1666 CB THR A 103 9.356 -7.851 -4.836 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.858 -7.198 -6.008 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.836 -7.885 -4.881 1.00 0.00 C ATOM 0 H THR A 103 8.540 -8.014 -2.203 1.00 0.00 H new ATOM 0 HA THR A 103 10.936 -7.031 -3.618 1.00 0.00 H new ATOM 0 HB THR A 103 9.726 -8.876 -4.804 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.540 -7.669 -6.806 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.510 -8.406 -5.781 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.458 -8.408 -4.003 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.449 -6.866 -4.891 1.00 0.00 H new ATOM 1676 N GLU A 104 9.766 -4.822 -4.341 1.00 0.00 N ATOM 1677 CA GLU A 104 9.263 -3.454 -4.393 1.00 0.00 C ATOM 1678 C GLU A 104 8.558 -3.183 -5.719 1.00 0.00 C ATOM 1679 O GLU A 104 9.117 -3.419 -6.790 1.00 0.00 O ATOM 1680 CB GLU A 104 10.409 -2.458 -4.200 1.00 0.00 C ATOM 1681 CG GLU A 104 10.871 -2.334 -2.757 1.00 0.00 C ATOM 1682 CD GLU A 104 11.961 -1.294 -2.581 1.00 0.00 C ATOM 1683 OE1 GLU A 104 12.623 -0.955 -3.584 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.152 -0.821 -1.442 1.00 0.00 O ATOM 0 H GLU A 104 10.546 -5.009 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 104 8.542 -3.329 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.253 -2.764 -4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.092 -1.478 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.020 -2.073 -2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 104 11.237 -3.301 -2.412 1.00 0.00 H new ATOM 1691 N ILE A 105 7.328 -2.687 -5.637 1.00 0.00 N ATOM 1692 CA ILE A 105 6.547 -2.384 -6.830 1.00 0.00 C ATOM 1693 C ILE A 105 5.976 -0.971 -6.768 1.00 0.00 C ATOM 1694 O ILE A 105 5.436 -0.553 -5.744 1.00 0.00 O ATOM 1695 CB ILE A 105 5.391 -3.385 -7.015 1.00 0.00 C ATOM 1696 CG1 ILE A 105 5.935 -4.812 -7.114 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.581 -3.035 -8.254 1.00 0.00 C ATOM 1698 CD1 ILE A 105 4.889 -5.876 -6.864 1.00 0.00 C ATOM 0 H ILE A 105 6.851 -2.487 -4.758 1.00 0.00 H new ATOM 0 HA ILE A 105 7.225 -2.463 -7.680 1.00 0.00 H new ATOM 0 HB ILE A 105 4.735 -3.325 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.363 -4.961 -8.105 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.745 -4.934 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 105 3.768 -3.751 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.168 -2.032 -8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.226 -3.071 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.345 -6.862 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.477 -5.753 -5.862 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.090 -5.780 -7.599 1.00 0.00 H new ATOM 1710 N TRP A 106 6.097 -0.242 -7.872 1.00 0.00 N ATOM 1711 CA TRP A 106 5.590 1.124 -7.944 1.00 0.00 C ATOM 1712 C TRP A 106 4.240 1.167 -8.650 1.00 0.00 C ATOM 1713 O TRP A 106 4.149 0.918 -9.853 1.00 0.00 O ATOM 1714 CB TRP A 106 6.591 2.022 -8.673 1.00 0.00 C ATOM 1715 CG TRP A 106 7.604 2.645 -7.762 1.00 0.00 C ATOM 1716 CD1 TRP A 106 8.864 2.186 -7.502 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.442 3.839 -6.988 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.495 3.023 -6.614 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.645 4.045 -6.284 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.400 4.755 -6.824 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.830 5.128 -5.429 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.585 5.829 -5.975 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.792 6.009 -5.287 1.00 0.00 C ATOM 0 H TRP A 106 6.541 -0.573 -8.728 1.00 0.00 H new ATOM 0 HA TRP A 106 5.457 1.491 -6.926 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.108 1.436 -9.432 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.048 2.811 -9.194 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.300 1.296 -7.931 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.443 2.903 -6.258 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.466 4.626 -7.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.759 5.268 -4.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.785 6.542 -5.839 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.906 6.860 -4.632 1.00 0.00 H new ATOM 1734 N LEU A 107 3.193 1.485 -7.897 1.00 0.00 N ATOM 1735 CA LEU A 107 1.846 1.562 -8.452 1.00 0.00 C ATOM 1736 C LEU A 107 1.700 2.777 -9.362 1.00 0.00 C ATOM 1737 O LEU A 107 2.486 3.721 -9.283 1.00 0.00 O ATOM 1738 CB LEU A 107 0.812 1.626 -7.326 1.00 0.00 C ATOM 1739 CG LEU A 107 0.728 0.396 -6.421 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.192 0.665 -5.240 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.249 -0.814 -7.209 1.00 0.00 C ATOM 0 H LEU A 107 3.251 1.694 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 107 1.673 0.664 -9.046 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.033 2.494 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.169 1.793 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 107 1.725 0.182 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.240 -0.221 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.194 1.504 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.191 0.905 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.195 -1.680 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.739 -0.611 -7.623 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.947 -1.019 -8.021 1.00 0.00 H new ATOM 1753 N GLU A 108 0.688 2.747 -10.224 1.00 0.00 N ATOM 1754 CA GLU A 108 0.439 3.847 -11.147 1.00 0.00 C ATOM 1755 C GLU A 108 -1.021 4.288 -11.088 1.00 0.00 C ATOM 1756 O GLU A 108 -1.868 3.767 -11.815 1.00 0.00 O ATOM 1757 CB GLU A 108 0.802 3.436 -12.576 1.00 0.00 C ATOM 1758 CG GLU A 108 0.258 2.074 -12.973 1.00 0.00 C ATOM 1759 CD GLU A 108 0.017 1.954 -14.465 1.00 0.00 C ATOM 1760 OE1 GLU A 108 0.850 2.466 -15.243 1.00 0.00 O ATOM 1761 OE2 GLU A 108 -1.003 1.349 -14.856 1.00 0.00 O ATOM 0 H GLU A 108 0.028 1.973 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 108 1.066 4.687 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.421 4.186 -13.269 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.887 3.429 -12.679 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.960 1.301 -12.659 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.676 1.891 -12.442 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.307 5.249 -10.218 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.665 5.761 -10.062 1.00 0.00 C ATOM 1770 C LEU A 109 -3.027 6.702 -11.206 1.00 0.00 C ATOM 1771 O LEU A 109 -2.238 7.568 -11.586 1.00 0.00 O ATOM 1772 CB LEU A 109 -2.807 6.488 -8.724 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.146 5.814 -7.520 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.092 6.768 -6.337 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.890 4.540 -7.147 1.00 0.00 C ATOM 0 H LEU A 109 -0.618 5.690 -9.609 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.350 4.914 -10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.388 7.488 -8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.869 6.609 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.125 5.548 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.619 6.271 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.514 7.652 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.104 7.066 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.406 4.074 -6.289 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.922 4.782 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.876 3.850 -7.991 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.226 6.528 -11.751 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.696 7.364 -12.850 1.00 0.00 C ATOM 1789 C LYS A 110 -5.969 8.109 -12.461 1.00 0.00 C ATOM 1790 O LYS A 110 -6.700 7.713 -11.554 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.951 6.510 -14.094 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.687 6.155 -14.858 1.00 0.00 C ATOM 1793 CD LYS A 110 -3.962 5.987 -16.343 1.00 0.00 C ATOM 1794 CE LYS A 110 -2.828 5.250 -17.039 1.00 0.00 C ATOM 1795 NZ LYS A 110 -1.687 6.154 -17.351 1.00 0.00 N ATOM 0 H LYS A 110 -4.891 5.815 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.921 8.098 -13.073 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.456 5.591 -13.796 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.629 7.045 -14.759 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.941 6.936 -14.711 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.266 5.232 -14.458 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.894 5.438 -16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -4.097 6.966 -16.802 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.482 4.434 -16.404 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -3.198 4.802 -17.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.935 5.613 -17.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.011 6.918 -17.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.317 6.563 -16.469 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.245 9.217 -13.165 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.469 9.801 -14.263 1.00 0.00 C ATOM 1811 C PRO A 111 -4.149 10.396 -13.787 1.00 0.00 C ATOM 1812 O PRO A 111 -3.273 10.709 -14.593 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.389 10.901 -14.800 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.258 11.265 -13.647 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.455 9.999 -12.860 1.00 0.00 C ATOM 0 HA PRO A 111 -5.192 9.056 -15.009 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -5.816 11.760 -15.151 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -6.980 10.546 -15.644 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -6.791 12.036 -13.035 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.213 11.664 -13.989 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.546 10.199 -11.792 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.360 9.474 -13.164 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.013 10.549 -12.473 1.00 0.00 N ATOM 1824 CA GLN A 112 -2.798 11.107 -11.891 1.00 0.00 C ATOM 1825 C GLN A 112 -2.550 10.537 -10.499 1.00 0.00 C ATOM 1826 O GLN A 112 -3.463 10.018 -9.858 1.00 0.00 O ATOM 1827 CB GLN A 112 -2.895 12.632 -11.821 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.090 13.130 -11.024 1.00 0.00 C ATOM 1829 CD GLN A 112 -4.181 14.643 -10.990 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -3.942 15.313 -11.995 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -4.527 15.190 -9.831 1.00 0.00 N ATOM 0 H GLN A 112 -4.729 10.295 -11.792 1.00 0.00 H new ATOM 0 HA GLN A 112 -1.959 10.832 -12.531 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -1.982 13.026 -11.375 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -2.953 13.031 -12.834 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.005 12.725 -11.457 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.025 12.751 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -4.716 14.597 -9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -4.604 16.204 -9.748 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.307 10.637 -10.037 1.00 0.00 N ATOM 1841 CA GLY A 113 -0.961 10.126 -8.723 1.00 0.00 C ATOM 1842 C GLY A 113 -0.171 8.834 -8.793 1.00 0.00 C ATOM 1843 O GLY A 113 -0.326 8.054 -9.733 1.00 0.00 O ATOM 0 H GLY A 113 -0.534 11.062 -10.549 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.379 10.876 -8.187 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -1.873 9.960 -8.149 1.00 0.00 H new ATOM 1847 N ARG A 114 0.681 8.609 -7.798 1.00 0.00 N ATOM 1848 CA ARG A 114 1.501 7.404 -7.752 1.00 0.00 C ATOM 1849 C ARG A 114 2.033 7.162 -6.343 1.00 0.00 C ATOM 1850 O ARG A 114 2.512 8.083 -5.683 1.00 0.00 O ATOM 1851 CB ARG A 114 2.666 7.518 -8.736 1.00 0.00 C ATOM 1852 CG ARG A 114 3.399 8.847 -8.662 1.00 0.00 C ATOM 1853 CD ARG A 114 4.664 8.834 -9.506 1.00 0.00 C ATOM 1854 NE ARG A 114 4.383 9.079 -10.918 1.00 0.00 N ATOM 1855 CZ ARG A 114 4.051 10.269 -11.406 1.00 0.00 C ATOM 1856 NH1 ARG A 114 3.960 11.318 -10.600 1.00 0.00 N ATOM 1857 NH2 ARG A 114 3.810 10.412 -12.703 1.00 0.00 N ATOM 0 H ARG A 114 0.821 9.245 -7.013 1.00 0.00 H new ATOM 0 HA ARG A 114 0.876 6.557 -8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.373 6.712 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.290 7.376 -9.749 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.741 9.646 -9.003 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.654 9.065 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.354 9.593 -9.137 1.00 0.00 H new ATOM 0 HD3 ARG A 114 5.162 7.871 -9.397 1.00 0.00 H new ATOM 0 HE ARG A 114 4.445 8.293 -11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.145 11.212 -9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 114 3.705 12.231 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.880 9.608 -13.326 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.555 11.326 -13.077 1.00 0.00 H new ATOM 1871 N MET A 115 1.943 5.916 -5.888 1.00 0.00 N ATOM 1872 CA MET A 115 2.416 5.553 -4.557 1.00 0.00 C ATOM 1873 C MET A 115 3.287 4.301 -4.612 1.00 0.00 C ATOM 1874 O MET A 115 3.360 3.629 -5.642 1.00 0.00 O ATOM 1875 CB MET A 115 1.232 5.324 -3.617 1.00 0.00 C ATOM 1876 CG MET A 115 0.127 4.475 -4.226 1.00 0.00 C ATOM 1877 SD MET A 115 -1.003 3.813 -2.987 1.00 0.00 S ATOM 1878 CE MET A 115 -1.971 5.270 -2.599 1.00 0.00 C ATOM 0 H MET A 115 1.547 5.142 -6.421 1.00 0.00 H new ATOM 0 HA MET A 115 3.019 6.377 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.589 4.842 -2.707 1.00 0.00 H new ATOM 0 HB3 MET A 115 0.818 6.289 -3.325 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.435 5.076 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 115 0.573 3.651 -4.783 1.00 0.00 H new ATOM 0 HE1 MET A 115 -3.032 5.022 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.715 5.622 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 115 -1.756 6.054 -3.325 1.00 0.00 H new ATOM 1888 N LEU A 116 3.945 3.994 -3.500 1.00 0.00 N ATOM 1889 CA LEU A 116 4.810 2.823 -3.422 1.00 0.00 C ATOM 1890 C LEU A 116 4.114 1.679 -2.692 1.00 0.00 C ATOM 1891 O LEU A 116 3.423 1.894 -1.697 1.00 0.00 O ATOM 1892 CB LEU A 116 6.117 3.177 -2.709 1.00 0.00 C ATOM 1893 CG LEU A 116 7.024 2.000 -2.347 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.472 1.265 -3.601 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.228 2.480 -1.550 1.00 0.00 C ATOM 0 H LEU A 116 3.896 4.540 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 116 5.033 2.499 -4.438 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.680 3.862 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.874 3.717 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 116 6.456 1.306 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.116 0.431 -3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.599 0.887 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.022 1.949 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.862 1.629 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.797 3.195 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.889 2.960 -0.632 1.00 0.00 H new ATOM 1907 N MET A 117 4.303 0.462 -3.193 1.00 0.00 N ATOM 1908 CA MET A 117 3.695 -0.717 -2.586 1.00 0.00 C ATOM 1909 C MET A 117 4.748 -1.782 -2.295 1.00 0.00 C ATOM 1910 O MET A 117 5.230 -2.456 -3.204 1.00 0.00 O ATOM 1911 CB MET A 117 2.614 -1.289 -3.505 1.00 0.00 C ATOM 1912 CG MET A 117 1.729 -2.325 -2.830 1.00 0.00 C ATOM 1913 SD MET A 117 0.652 -3.183 -3.994 1.00 0.00 S ATOM 1914 CE MET A 117 1.855 -4.093 -4.960 1.00 0.00 C ATOM 0 H MET A 117 4.872 0.267 -4.017 1.00 0.00 H new ATOM 0 HA MET A 117 3.238 -0.416 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 117 1.990 -0.473 -3.871 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.090 -1.741 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.356 -3.054 -2.316 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.120 -1.837 -2.069 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.436 -5.057 -5.248 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.108 -3.525 -5.855 1.00 0.00 H new ATOM 0 HE3 MET A 117 2.754 -4.252 -4.365 1.00 0.00 H new ATOM 1924 N ASN A 118 5.099 -1.927 -1.022 1.00 0.00 N ATOM 1925 CA ASN A 118 6.095 -2.910 -0.611 1.00 0.00 C ATOM 1926 C ASN A 118 5.429 -4.132 0.012 1.00 0.00 C ATOM 1927 O ASN A 118 4.919 -4.072 1.130 1.00 0.00 O ATOM 1928 CB ASN A 118 7.076 -2.287 0.385 1.00 0.00 C ATOM 1929 CG ASN A 118 8.257 -1.628 -0.302 1.00 0.00 C ATOM 1930 OD1 ASN A 118 9.408 -1.842 0.076 1.00 0.00 O ATOM 1931 ND2 ASN A 118 7.975 -0.820 -1.318 1.00 0.00 N ATOM 0 H ASN A 118 4.709 -1.377 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 118 6.641 -3.229 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.553 -1.548 0.992 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.438 -3.058 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 118 8.728 -0.348 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.005 -0.672 -1.598 1.00 0.00 H new ATOM 1938 N ALA A 119 5.438 -5.242 -0.720 1.00 0.00 N ATOM 1939 CA ALA A 119 4.837 -6.479 -0.239 1.00 0.00 C ATOM 1940 C ALA A 119 5.890 -7.404 0.362 1.00 0.00 C ATOM 1941 O ALA A 119 6.921 -7.670 -0.255 1.00 0.00 O ATOM 1942 CB ALA A 119 4.098 -7.182 -1.369 1.00 0.00 C ATOM 0 H ALA A 119 5.855 -5.309 -1.648 1.00 0.00 H new ATOM 0 HA ALA A 119 4.123 -6.226 0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.654 -8.105 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.312 -6.530 -1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.798 -7.415 -2.172 1.00 0.00 H new ATOM 1948 N ARG A 120 5.624 -7.890 1.570 1.00 0.00 N ATOM 1949 CA ARG A 120 6.551 -8.783 2.255 1.00 0.00 C ATOM 1950 C ARG A 120 5.955 -10.180 2.396 1.00 0.00 C ATOM 1951 O ARG A 120 4.740 -10.361 2.306 1.00 0.00 O ATOM 1952 CB ARG A 120 6.903 -8.226 3.636 1.00 0.00 C ATOM 1953 CG ARG A 120 8.074 -8.934 4.298 1.00 0.00 C ATOM 1954 CD ARG A 120 8.663 -8.101 5.426 1.00 0.00 C ATOM 1955 NE ARG A 120 9.671 -7.161 4.944 1.00 0.00 N ATOM 1956 CZ ARG A 120 10.545 -6.550 5.736 1.00 0.00 C ATOM 1957 NH1 ARG A 120 10.534 -6.779 7.042 1.00 0.00 N ATOM 1958 NH2 ARG A 120 11.432 -5.708 5.222 1.00 0.00 N ATOM 0 H ARG A 120 4.775 -7.681 2.094 1.00 0.00 H new ATOM 0 HA ARG A 120 7.459 -8.852 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.137 -7.166 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.029 -8.304 4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.745 -9.897 4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.844 -9.138 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.865 -7.552 5.926 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.109 -8.762 6.169 1.00 0.00 H new ATOM 0 HE ARG A 120 9.706 -6.963 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.853 -7.426 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.206 -6.309 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.443 -5.529 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.103 -5.239 5.831 1.00 0.00 H new ATOM 1972 N TYR A 121 6.818 -11.166 2.617 1.00 0.00 N ATOM 1973 CA TYR A 121 6.377 -12.548 2.767 1.00 0.00 C ATOM 1974 C TYR A 121 6.446 -12.986 4.227 1.00 0.00 C ATOM 1975 O TYR A 121 7.474 -12.830 4.886 1.00 0.00 O ATOM 1976 CB TYR A 121 7.235 -13.475 1.904 1.00 0.00 C ATOM 1977 CG TYR A 121 6.547 -14.772 1.540 1.00 0.00 C ATOM 1978 CD1 TYR A 121 6.466 -15.817 2.452 1.00 0.00 C ATOM 1979 CD2 TYR A 121 5.978 -14.951 0.285 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.840 -17.004 2.124 1.00 0.00 C ATOM 1981 CE2 TYR A 121 5.348 -16.134 -0.051 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.282 -17.157 0.872 1.00 0.00 C ATOM 1983 OH TYR A 121 4.656 -18.337 0.540 1.00 0.00 O ATOM 0 H TYR A 121 7.826 -11.034 2.696 1.00 0.00 H new ATOM 0 HA TYR A 121 5.340 -12.610 2.436 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.513 -12.952 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.159 -13.701 2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 121 6.900 -15.699 3.434 1.00 0.00 H new ATOM 0 HD2 TYR A 121 6.029 -14.152 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 121 5.788 -17.808 2.844 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.910 -16.257 -1.030 1.00 0.00 H new ATOM 0 HH TYR A 121 4.317 -18.280 -0.378 1.00 0.00 H new ATOM 1993 N PHE A 122 5.344 -13.537 4.725 1.00 0.00 N ATOM 1994 CA PHE A 122 5.278 -13.998 6.107 1.00 0.00 C ATOM 1995 C PHE A 122 4.468 -15.288 6.211 1.00 0.00 C ATOM 1996 O PHE A 122 3.975 -15.808 5.209 1.00 0.00 O ATOM 1997 CB PHE A 122 4.657 -12.920 6.997 1.00 0.00 C ATOM 1998 CG PHE A 122 5.635 -11.867 7.434 1.00 0.00 C ATOM 1999 CD1 PHE A 122 6.610 -12.156 8.375 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.580 -10.589 6.903 1.00 0.00 C ATOM 2001 CE1 PHE A 122 7.511 -11.189 8.779 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.478 -9.617 7.303 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.446 -9.918 8.241 1.00 0.00 C ATOM 0 H PHE A 122 4.485 -13.675 4.193 1.00 0.00 H new ATOM 0 HA PHE A 122 6.294 -14.199 6.446 1.00 0.00 H new ATOM 0 HB2 PHE A 122 3.838 -12.443 6.459 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.226 -13.393 7.879 1.00 0.00 H new ATOM 0 HD1 PHE A 122 6.667 -13.148 8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.826 -10.349 6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.265 -11.427 9.515 1.00 0.00 H new ATOM 0 HE2 PHE A 122 6.423 -8.624 6.883 1.00 0.00 H new ATOM 0 HZ PHE A 122 8.151 -9.161 8.553 1.00 0.00 H new ATOM 2013 N LEU A 123 4.336 -15.799 7.430 1.00 0.00 N ATOM 2014 CA LEU A 123 3.587 -17.028 7.667 1.00 0.00 C ATOM 2015 C LEU A 123 2.443 -16.789 8.646 1.00 0.00 C ATOM 2016 O LEU A 123 2.521 -15.908 9.502 1.00 0.00 O ATOM 2017 CB LEU A 123 4.515 -18.118 8.206 1.00 0.00 C ATOM 2018 CG LEU A 123 5.291 -18.918 7.158 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.338 -19.728 6.292 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.138 -17.991 6.299 1.00 0.00 C ATOM 0 H LEU A 123 4.738 -15.381 8.269 1.00 0.00 H new ATOM 0 HA LEU A 123 3.165 -17.355 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 123 5.232 -17.654 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 123 3.920 -18.814 8.798 1.00 0.00 H new ATOM 0 HG LEU A 123 5.956 -19.609 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.908 -20.291 5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 123 3.775 -20.419 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.648 -19.055 5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.683 -18.577 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.492 -17.275 5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.846 -17.456 6.931 1.00 0.00 H new