USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot 27:sc= 1.27 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -7.62! C(o=-6.4!,f=-9.3!) USER MOD Single : A 18 SER OG : rot 110:sc= -0.349 USER MOD Single : A 19 CYS SG : rot -168:sc= -0.0401 USER MOD Single : A 20 CYS SG : rot 180:sc= -0.342 USER MOD Single : A 23 SER OG : rot -69:sc= -2.8! USER MOD Single : A 30 THR OG1 : rot 138:sc= 1.21 USER MOD Single : A 40 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 41 SER OG : rot -143:sc= 0.781 USER MOD Single : A 42 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.3) USER MOD Single : A 44 HIS : no HD1:sc= 0.383 K(o=0.38,f=-3.7!) USER MOD Single : A 45 ASN : amide:sc= 0.00692 K(o=0.0069,f=-1.1) USER MOD Single : A 49 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 51 THR OG1 : rot 130:sc= -1.85! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.49) USER MOD Single : A 63 GLN : amide:sc= 0.797 K(o=0.8,f=-4.3!) USER MOD Single : A 68 HIS : no HD1:sc= -3.24! K(o=-3.2!,f=-0.66) USER MOD Single : A 76 MET CE :methyl 143:sc= -2.69! (180deg=-6.92!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= 0.78 K(o=0.78,f=-3.2!) USER MOD Single : A 80 GLN : amide:sc= -6.86! K(o=-6.9!,f=-1.8) USER MOD Single : A 86 SER OG : rot 180:sc= -0.19 USER MOD Single : A 87 ASN : amide:sc=-0.00124 X(o=-0.0012,f=-0.0012) USER MOD Single : A 95 SER OG : rot 20:sc= 0.00288 USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= 1.24 (180deg=-0.0126) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 MET CE :methyl -128:sc= 0 (180deg=-0.556) USER MOD Single : A 107 GLN : amide:sc= -0.26 K(o=-0.26,f=-1) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.539 19.052 -6.354 1.00 10.00 N ATOM 139 CA ASP A 15 7.076 18.466 -5.183 1.00 10.00 C ATOM 140 C ASP A 15 6.395 17.199 -4.825 1.00 10.00 C ATOM 141 O ASP A 15 6.069 16.947 -3.676 1.00 10.00 O ATOM 142 CB ASP A 15 6.999 19.470 -4.057 1.00 10.00 C ATOM 143 CG ASP A 15 5.574 19.971 -3.768 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.023 20.735 -4.583 1.00 10.00 O ATOM 145 OD2 ASP A 15 4.984 19.611 -2.733 1.00 10.00 O ATOM 0 HA ASP A 15 8.117 18.204 -5.370 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.406 19.019 -3.152 1.00 10.00 H new ATOM 0 HB3 ASP A 15 7.632 20.324 -4.300 1.00 10.00 H new ATOM 150 N LEU A 16 6.250 16.384 -5.771 1.00 10.00 N ATOM 151 CA LEU A 16 5.650 15.145 -5.578 1.00 10.00 C ATOM 152 C LEU A 16 6.617 14.072 -5.863 1.00 10.00 C ATOM 153 O LEU A 16 7.560 14.238 -6.636 1.00 10.00 O ATOM 154 CB LEU A 16 4.390 14.970 -6.392 1.00 10.00 C ATOM 155 CG LEU A 16 3.329 16.075 -6.333 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.059 16.618 -4.945 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.568 17.137 -7.371 1.00 10.00 C ATOM 0 H LEU A 16 6.553 16.562 -6.729 1.00 10.00 H new ATOM 0 HA LEU A 16 5.345 15.089 -4.533 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.682 14.845 -7.435 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.918 14.039 -6.079 1.00 10.00 H new ATOM 0 HG LEU A 16 2.387 15.594 -6.596 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.296 17.394 -5.000 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.710 15.811 -4.300 1.00 10.00 H new ATOM 0 HD13 LEU A 16 3.976 17.040 -4.534 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.794 17.901 -7.295 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.545 17.592 -7.207 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.539 16.688 -8.364 1.00 10.00 H new ATOM 169 N VAL A 17 6.389 12.994 -5.234 1.00 10.00 N ATOM 170 CA VAL A 17 7.165 11.848 -5.279 1.00 10.00 C ATOM 171 C VAL A 17 6.224 10.659 -5.045 1.00 10.00 C ATOM 172 O VAL A 17 5.186 10.811 -4.418 1.00 10.00 O ATOM 173 CB VAL A 17 8.289 11.884 -4.188 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.831 10.533 -3.942 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.434 12.812 -4.563 1.00 10.00 C ATOM 0 H VAL A 17 5.580 12.891 -4.622 1.00 10.00 H new ATOM 0 HA VAL A 17 7.665 11.765 -6.244 1.00 10.00 H new ATOM 0 HB VAL A 17 7.819 12.267 -3.282 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.609 10.586 -3.181 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.031 9.877 -3.598 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.253 10.137 -4.865 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.185 12.800 -3.774 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.884 12.476 -5.497 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.055 13.826 -4.687 1.00 10.00 H new ATOM 185 N SER A 18 6.552 9.549 -5.580 1.00 10.00 N ATOM 186 CA SER A 18 5.806 8.362 -5.369 1.00 10.00 C ATOM 187 C SER A 18 6.747 7.225 -5.065 1.00 10.00 C ATOM 188 O SER A 18 7.594 6.871 -5.896 1.00 10.00 O ATOM 189 CB SER A 18 4.908 8.029 -6.575 1.00 10.00 C ATOM 190 OG SER A 18 5.660 7.906 -7.771 1.00 10.00 O ATOM 0 H SER A 18 7.361 9.431 -6.190 1.00 10.00 H new ATOM 0 HA SER A 18 5.144 8.518 -4.517 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.373 7.099 -6.384 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.157 8.810 -6.696 1.00 10.00 H new ATOM 0 HG SER A 18 5.677 6.967 -8.052 1.00 10.00 H new ATOM 196 N CYS A 19 6.672 6.718 -3.882 1.00 10.00 N ATOM 197 CA CYS A 19 7.416 5.552 -3.546 1.00 10.00 C ATOM 198 C CYS A 19 6.551 4.371 -3.898 1.00 10.00 C ATOM 199 O CYS A 19 5.386 4.295 -3.471 1.00 10.00 O ATOM 200 CB CYS A 19 7.808 5.553 -2.068 1.00 10.00 C ATOM 201 SG CYS A 19 8.919 6.911 -1.599 1.00 10.00 S ATOM 0 H CYS A 19 6.099 7.095 -3.127 1.00 10.00 H new ATOM 0 HA CYS A 19 8.354 5.512 -4.100 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.903 5.612 -1.463 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.290 4.605 -1.830 1.00 10.00 H new ATOM 0 HG CYS A 19 9.394 6.692 -0.409 1.00 10.00 H new ATOM 207 N CYS A 20 7.079 3.489 -4.686 1.00 10.00 N ATOM 208 CA CYS A 20 6.330 2.391 -5.194 1.00 10.00 C ATOM 209 C CYS A 20 6.971 1.185 -4.656 1.00 10.00 C ATOM 210 O CYS A 20 8.165 1.071 -4.772 1.00 10.00 O ATOM 211 CB CYS A 20 6.370 2.418 -6.728 1.00 10.00 C ATOM 212 SG CYS A 20 5.386 1.142 -7.540 1.00 10.00 S ATOM 0 H CYS A 20 8.051 3.514 -4.996 1.00 10.00 H new ATOM 0 HA CYS A 20 5.281 2.425 -4.901 1.00 10.00 H new ATOM 0 HB2 CYS A 20 6.024 3.394 -7.068 1.00 10.00 H new ATOM 0 HB3 CYS A 20 7.406 2.317 -7.051 1.00 10.00 H new ATOM 0 HG CYS A 20 5.495 1.265 -8.830 1.00 10.00 H new ATOM 218 N TYR A 21 6.220 0.290 -4.046 1.00 10.00 N ATOM 219 CA TYR A 21 6.854 -0.800 -3.399 1.00 10.00 C ATOM 220 C TYR A 21 6.136 -2.079 -3.624 1.00 10.00 C ATOM 221 O TYR A 21 4.948 -2.094 -4.006 1.00 10.00 O ATOM 222 CB TYR A 21 6.981 -0.532 -1.887 1.00 10.00 C ATOM 223 CG TYR A 21 5.796 -0.629 -0.956 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.257 -1.855 -0.544 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.294 0.516 -0.399 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.249 -1.899 0.387 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.293 0.473 0.513 1.00 10.00 C ATOM 228 CZ TYR A 21 3.778 -0.730 0.905 1.00 10.00 C ATOM 229 OH TYR A 21 2.809 -0.773 1.845 1.00 10.00 O ATOM 0 H TYR A 21 5.201 0.307 -3.994 1.00 10.00 H new ATOM 0 HA TYR A 21 7.848 -0.895 -3.836 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.736 -1.221 -1.508 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.385 0.475 -1.779 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.638 -2.774 -0.963 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.703 1.472 -0.692 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.836 -2.845 0.704 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.902 1.389 0.930 1.00 10.00 H new ATOM 0 HH TYR A 21 2.865 -1.621 2.334 1.00 10.00 H new ATOM 239 N ARG A 22 6.817 -3.151 -3.370 1.00 10.00 N ATOM 240 CA ARG A 22 6.181 -4.414 -3.402 1.00 10.00 C ATOM 241 C ARG A 22 6.400 -5.072 -2.076 1.00 10.00 C ATOM 242 O ARG A 22 7.405 -4.825 -1.389 1.00 10.00 O ATOM 243 CB ARG A 22 6.645 -5.328 -4.569 1.00 10.00 C ATOM 244 CG ARG A 22 7.707 -6.383 -4.237 1.00 10.00 C ATOM 245 CD ARG A 22 9.080 -5.798 -3.976 1.00 10.00 C ATOM 246 NE ARG A 22 9.997 -6.830 -3.489 1.00 10.00 N ATOM 247 CZ ARG A 22 10.746 -7.627 -4.259 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.666 -7.559 -5.581 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.557 -8.490 -3.683 1.00 10.00 N ATOM 0 H ARG A 22 7.810 -3.170 -3.140 1.00 10.00 H new ATOM 0 HA ARG A 22 5.119 -4.253 -3.589 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.770 -5.840 -4.969 1.00 10.00 H new ATOM 0 HB3 ARG A 22 7.034 -4.693 -5.365 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.387 -6.945 -3.359 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.774 -7.092 -5.062 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.473 -5.358 -4.892 1.00 10.00 H new ATOM 0 HD3 ARG A 22 9.005 -4.995 -3.243 1.00 10.00 H new ATOM 0 HE ARG A 22 10.071 -6.951 -2.479 1.00 10.00 H new ATOM 0 HH11 ARG A 22 10.029 -6.894 -6.020 1.00 10.00 H new ATOM 0 HH12 ARG A 22 11.242 -8.171 -6.159 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.606 -8.543 -2.666 1.00 10.00 H new ATOM 0 HH22 ARG A 22 12.136 -9.106 -4.254 1.00 10.00 H new ATOM 263 N SER A 23 5.492 -5.849 -1.692 1.00 10.00 N ATOM 264 CA SER A 23 5.614 -6.558 -0.506 1.00 10.00 C ATOM 265 C SER A 23 4.979 -7.919 -0.680 1.00 10.00 C ATOM 266 O SER A 23 4.258 -8.140 -1.642 1.00 10.00 O ATOM 267 CB SER A 23 5.044 -5.751 0.654 1.00 10.00 C ATOM 268 OG SER A 23 3.821 -5.136 0.315 1.00 10.00 O ATOM 0 H SER A 23 4.624 -6.015 -2.202 1.00 10.00 H new ATOM 0 HA SER A 23 6.662 -6.725 -0.258 1.00 10.00 H new ATOM 0 HB2 SER A 23 4.896 -6.405 1.513 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.763 -4.989 0.954 1.00 10.00 H new ATOM 0 HG SER A 23 3.983 -4.426 -0.341 1.00 10.00 H new ATOM 274 N LEU A 24 5.273 -8.832 0.190 1.00 10.00 N ATOM 275 CA LEU A 24 4.721 -10.195 0.031 1.00 10.00 C ATOM 276 C LEU A 24 3.766 -10.603 1.146 1.00 10.00 C ATOM 277 O LEU A 24 3.871 -11.710 1.627 1.00 10.00 O ATOM 278 CB LEU A 24 5.842 -11.264 -0.169 1.00 10.00 C ATOM 279 CG LEU A 24 6.614 -11.304 -1.523 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.672 -11.543 -2.688 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.455 -10.054 -1.756 1.00 10.00 C ATOM 0 H LEU A 24 5.871 -8.694 1.004 1.00 10.00 H new ATOM 0 HA LEU A 24 4.126 -10.156 -0.881 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.576 -11.124 0.625 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.392 -12.245 -0.017 1.00 10.00 H new ATOM 0 HG LEU A 24 7.304 -12.145 -1.459 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.241 -11.565 -3.617 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.160 -12.496 -2.553 1.00 10.00 H new ATOM 0 HD13 LEU A 24 4.937 -10.740 -2.732 1.00 10.00 H new ATOM 0 HD21 LEU A 24 7.971 -10.136 -2.713 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.808 -9.177 -1.766 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.189 -9.955 -0.956 1.00 10.00 H new ATOM 293 N ALA A 25 2.828 -9.686 1.495 1.00 10.00 N ATOM 294 CA ALA A 25 1.806 -9.827 2.605 1.00 10.00 C ATOM 295 C ALA A 25 2.081 -10.983 3.578 1.00 10.00 C ATOM 296 O ALA A 25 1.748 -12.142 3.293 1.00 10.00 O ATOM 297 CB ALA A 25 0.391 -9.887 2.045 1.00 10.00 C ATOM 0 H ALA A 25 2.746 -8.794 1.006 1.00 10.00 H new ATOM 0 HA ALA A 25 1.904 -8.924 3.208 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.321 -9.988 2.864 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.180 -8.972 1.492 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.300 -10.744 1.377 1.00 10.00 H new ATOM 303 N ALA A 26 2.626 -10.647 4.740 1.00 10.00 N ATOM 304 CA ALA A 26 3.157 -11.613 5.664 1.00 10.00 C ATOM 305 C ALA A 26 2.098 -12.579 6.186 1.00 10.00 C ATOM 306 O ALA A 26 0.941 -12.219 6.335 1.00 10.00 O ATOM 307 CB ALA A 26 3.796 -10.877 6.823 1.00 10.00 C ATOM 0 H ALA A 26 2.708 -9.682 5.061 1.00 10.00 H new ATOM 0 HA ALA A 26 3.893 -12.215 5.130 1.00 10.00 H new ATOM 0 HB1 ALA A 26 4.203 -11.598 7.532 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.599 -10.240 6.451 1.00 10.00 H new ATOM 0 HB3 ALA A 26 3.046 -10.262 7.321 1.00 10.00 H new ATOM 313 N PRO A 27 2.496 -13.820 6.485 1.00 10.00 N ATOM 314 CA PRO A 27 1.615 -14.862 7.093 1.00 10.00 C ATOM 315 C PRO A 27 1.108 -14.458 8.479 1.00 10.00 C ATOM 316 O PRO A 27 0.185 -15.049 9.033 1.00 10.00 O ATOM 317 CB PRO A 27 2.564 -16.052 7.219 1.00 10.00 C ATOM 318 CG PRO A 27 3.904 -15.395 7.259 1.00 10.00 C ATOM 319 CD PRO A 27 3.830 -14.374 6.217 1.00 10.00 C ATOM 0 HA PRO A 27 0.719 -15.048 6.501 1.00 10.00 H new ATOM 0 HB2 PRO A 27 2.370 -16.632 8.121 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.472 -16.735 6.375 1.00 10.00 H new ATOM 0 HG2 PRO A 27 4.103 -14.954 8.236 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.704 -16.109 7.062 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.617 -13.626 6.312 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.911 -14.796 5.215 1.00 10.00 H new ATOM 327 N ASP A 28 1.715 -13.440 8.982 1.00 10.00 N ATOM 328 CA ASP A 28 1.435 -12.857 10.277 1.00 10.00 C ATOM 329 C ASP A 28 0.179 -12.022 10.211 1.00 10.00 C ATOM 330 O ASP A 28 -0.345 -11.575 11.235 1.00 10.00 O ATOM 331 CB ASP A 28 2.581 -11.930 10.670 1.00 10.00 C ATOM 332 CG ASP A 28 3.910 -12.614 10.836 1.00 10.00 C ATOM 333 OD1 ASP A 28 4.201 -13.106 11.954 1.00 10.00 O ATOM 334 OD2 ASP A 28 4.699 -12.633 9.870 1.00 10.00 O ATOM 0 H ASP A 28 2.463 -12.955 8.486 1.00 10.00 H new ATOM 0 HA ASP A 28 1.315 -13.663 11.001 1.00 10.00 H new ATOM 0 HB2 ASP A 28 2.679 -11.153 9.912 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.324 -11.432 11.605 1.00 10.00 H new ATOM 339 N LEU A 29 -0.279 -11.796 9.008 1.00 10.00 N ATOM 340 CA LEU A 29 -1.399 -10.953 8.757 1.00 10.00 C ATOM 341 C LEU A 29 -2.709 -11.452 9.245 1.00 10.00 C ATOM 342 O LEU A 29 -3.030 -12.655 9.222 1.00 10.00 O ATOM 343 CB LEU A 29 -1.494 -10.546 7.314 1.00 10.00 C ATOM 344 CG LEU A 29 -0.574 -9.430 6.902 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.702 -9.199 5.436 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.927 -8.160 7.652 1.00 10.00 C ATOM 0 H LEU A 29 0.129 -12.203 8.166 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.186 -10.074 9.366 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.284 -11.417 6.693 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.521 -10.245 7.105 1.00 10.00 H new ATOM 0 HG LEU A 29 0.453 -9.706 7.140 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.036 -8.390 5.136 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.433 -10.109 4.899 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.731 -8.929 5.199 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -0.255 -7.358 7.346 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.955 -7.878 7.426 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.825 -8.330 8.724 1.00 10.00 H new ATOM 358 N THR A 30 -3.446 -10.504 9.680 1.00 10.00 N ATOM 359 CA THR A 30 -4.742 -10.637 10.150 1.00 10.00 C ATOM 360 C THR A 30 -5.618 -9.663 9.439 1.00 10.00 C ATOM 361 O THR A 30 -5.204 -8.539 9.203 1.00 10.00 O ATOM 362 CB THR A 30 -4.756 -10.330 11.604 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.513 -9.721 12.003 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.006 -11.557 12.376 1.00 10.00 C ATOM 0 H THR A 30 -3.117 -9.539 9.713 1.00 10.00 H new ATOM 0 HA THR A 30 -5.101 -11.652 9.978 1.00 10.00 H new ATOM 0 HB THR A 30 -5.560 -9.623 11.806 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.695 -8.976 12.613 1.00 10.00 H new ATOM 0 HG21 THR A 30 -5.014 -11.322 13.440 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.970 -11.977 12.090 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.219 -12.283 12.171 1.00 10.00 H new ATOM 372 N LEU A 31 -6.807 -10.089 9.094 1.00 10.00 N ATOM 373 CA LEU A 31 -7.785 -9.262 8.386 1.00 10.00 C ATOM 374 C LEU A 31 -8.037 -7.993 9.121 1.00 10.00 C ATOM 375 O LEU A 31 -8.051 -6.944 8.514 1.00 10.00 O ATOM 376 CB LEU A 31 -9.066 -10.009 8.297 1.00 10.00 C ATOM 377 CG LEU A 31 -10.248 -9.340 7.569 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.934 -9.085 6.109 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.505 -10.183 7.706 1.00 10.00 C ATOM 0 H LEU A 31 -7.139 -11.032 9.294 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.393 -9.030 7.396 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.864 -10.959 7.802 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.388 -10.241 9.312 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.421 -8.373 8.042 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.791 -8.613 5.630 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -9.068 -8.428 6.033 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.717 -10.031 5.613 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.329 -9.695 7.186 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.333 -11.167 7.270 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.756 -10.293 8.761 1.00 10.00 H new ATOM 391 N ARG A 32 -8.192 -8.068 10.440 1.00 10.00 N ATOM 392 CA ARG A 32 -8.482 -6.856 11.189 1.00 10.00 C ATOM 393 C ARG A 32 -7.347 -5.865 11.044 1.00 10.00 C ATOM 394 O ARG A 32 -7.572 -4.669 10.982 1.00 10.00 O ATOM 395 CB ARG A 32 -8.805 -7.124 12.657 1.00 10.00 C ATOM 396 CG ARG A 32 -9.138 -5.853 13.445 1.00 10.00 C ATOM 397 CD ARG A 32 -10.296 -5.073 12.814 1.00 10.00 C ATOM 398 NE ARG A 32 -11.530 -5.859 12.738 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.639 -5.482 12.091 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.687 -4.313 11.453 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.705 -6.277 12.096 1.00 10.00 N ATOM 0 H ARG A 32 -8.124 -8.922 10.993 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.385 -6.422 10.760 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.648 -7.812 12.717 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.955 -7.621 13.124 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.396 -6.119 14.470 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.255 -5.215 13.494 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -10.480 -4.170 13.396 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.011 -4.754 11.812 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.545 -6.761 13.214 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -11.874 -3.697 11.455 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.537 -4.034 10.963 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -13.674 -7.168 12.591 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.553 -5.995 11.605 1.00 10.00 H new ATOM 415 N ASP A 33 -6.148 -6.379 10.900 1.00 10.00 N ATOM 416 CA ASP A 33 -5.007 -5.539 10.677 1.00 10.00 C ATOM 417 C ASP A 33 -5.098 -4.863 9.332 1.00 10.00 C ATOM 418 O ASP A 33 -4.848 -3.686 9.259 1.00 10.00 O ATOM 419 CB ASP A 33 -3.671 -6.271 10.858 1.00 10.00 C ATOM 420 CG ASP A 33 -3.329 -6.505 12.316 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.961 -7.372 12.960 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.394 -5.847 12.837 1.00 10.00 O ATOM 0 H ASP A 33 -5.943 -7.378 10.934 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.026 -4.771 11.450 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.712 -7.229 10.340 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.876 -5.690 10.391 1.00 10.00 H new ATOM 427 N LEU A 34 -5.543 -5.581 8.259 1.00 10.00 N ATOM 428 CA LEU A 34 -5.679 -4.897 6.927 1.00 10.00 C ATOM 429 C LEU A 34 -6.715 -3.826 7.018 1.00 10.00 C ATOM 430 O LEU A 34 -6.567 -2.745 6.469 1.00 10.00 O ATOM 431 CB LEU A 34 -6.076 -5.834 5.755 1.00 10.00 C ATOM 432 CG LEU A 34 -5.051 -6.840 5.236 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.770 -6.154 4.787 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.781 -7.861 6.271 1.00 10.00 C ATOM 0 H LEU A 34 -5.800 -6.568 8.276 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.687 -4.503 6.706 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.959 -6.393 6.064 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.374 -5.205 4.916 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.468 -7.334 4.358 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -3.065 -6.902 4.424 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.996 -5.450 3.986 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.330 -5.618 5.628 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -4.049 -8.576 5.895 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.389 -7.377 7.166 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.706 -8.384 6.516 1.00 10.00 H new ATOM 446 N LEU A 35 -7.743 -4.146 7.732 1.00 10.00 N ATOM 447 CA LEU A 35 -8.889 -3.269 7.912 1.00 10.00 C ATOM 448 C LEU A 35 -8.525 -2.028 8.705 1.00 10.00 C ATOM 449 O LEU A 35 -8.974 -0.923 8.397 1.00 10.00 O ATOM 450 CB LEU A 35 -10.047 -4.053 8.544 1.00 10.00 C ATOM 451 CG LEU A 35 -10.866 -4.964 7.596 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.847 -4.123 6.822 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.956 -5.678 6.600 1.00 10.00 C ATOM 0 H LEU A 35 -7.827 -5.037 8.222 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.218 -2.913 6.936 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.643 -4.671 9.346 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.730 -3.340 9.005 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.384 -5.707 8.203 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.425 -4.761 6.154 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.520 -3.619 7.515 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.306 -3.380 6.236 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.557 -6.311 5.947 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.423 -4.940 6.000 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.237 -6.294 7.141 1.00 10.00 H new ATOM 465 N ASP A 36 -7.709 -2.207 9.703 1.00 10.00 N ATOM 466 CA ASP A 36 -7.186 -1.052 10.447 1.00 10.00 C ATOM 467 C ASP A 36 -6.234 -0.249 9.583 1.00 10.00 C ATOM 468 O ASP A 36 -6.235 0.991 9.629 1.00 10.00 O ATOM 469 CB ASP A 36 -6.512 -1.411 11.782 1.00 10.00 C ATOM 470 CG ASP A 36 -7.488 -1.721 12.899 1.00 10.00 C ATOM 471 OD1 ASP A 36 -8.295 -0.828 13.285 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.426 -2.817 13.468 1.00 10.00 O ATOM 0 H ASP A 36 -7.384 -3.116 10.031 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.059 -0.451 10.703 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -5.863 -2.274 11.630 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.874 -0.583 12.090 1.00 10.00 H new ATOM 477 N ILE A 37 -5.436 -0.956 8.784 1.00 10.00 N ATOM 478 CA ILE A 37 -4.508 -0.343 7.835 1.00 10.00 C ATOM 479 C ILE A 37 -5.258 0.559 6.853 1.00 10.00 C ATOM 480 O ILE A 37 -4.990 1.756 6.795 1.00 10.00 O ATOM 481 CB ILE A 37 -3.687 -1.423 7.051 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.678 -2.119 7.976 1.00 10.00 C ATOM 483 CG2 ILE A 37 -2.966 -0.812 5.845 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.129 -3.422 7.424 1.00 10.00 C ATOM 0 H ILE A 37 -5.415 -1.976 8.777 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.807 0.262 8.410 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.394 -2.166 6.682 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.848 -1.439 8.167 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.156 -2.316 8.935 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.406 -1.589 5.324 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.698 -0.375 5.166 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.280 -0.037 6.186 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.424 -3.851 8.136 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -2.949 -4.121 7.259 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.620 -3.231 6.479 1.00 10.00 H new ATOM 496 N VAL A 38 -6.218 -0.018 6.122 1.00 10.00 N ATOM 497 CA VAL A 38 -6.993 0.722 5.116 1.00 10.00 C ATOM 498 C VAL A 38 -7.654 1.978 5.714 1.00 10.00 C ATOM 499 O VAL A 38 -7.428 3.094 5.220 1.00 10.00 O ATOM 500 CB VAL A 38 -8.036 -0.188 4.343 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.030 -0.852 5.259 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.752 0.580 3.241 1.00 10.00 C ATOM 0 H VAL A 38 -6.479 -1.000 6.208 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.276 1.057 4.367 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.448 -0.981 3.881 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.717 -1.461 4.671 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.502 -1.486 5.971 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.592 -0.090 5.799 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.457 -0.080 2.737 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.290 1.422 3.675 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.022 0.949 2.521 1.00 10.00 H new ATOM 512 N GLU A 39 -8.381 1.798 6.813 1.00 10.00 N ATOM 513 CA GLU A 39 -9.059 2.871 7.512 1.00 10.00 C ATOM 514 C GLU A 39 -8.104 3.997 7.938 1.00 10.00 C ATOM 515 O GLU A 39 -8.356 5.174 7.644 1.00 10.00 O ATOM 516 CB GLU A 39 -9.829 2.300 8.707 1.00 10.00 C ATOM 517 CG GLU A 39 -11.331 2.122 8.472 1.00 10.00 C ATOM 518 CD GLU A 39 -11.707 1.390 7.192 1.00 10.00 C ATOM 519 OE1 GLU A 39 -11.799 2.056 6.126 1.00 10.00 O ATOM 520 OE2 GLU A 39 -11.995 0.177 7.232 1.00 10.00 O ATOM 0 H GLU A 39 -8.514 0.884 7.246 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.765 3.329 6.820 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.399 1.334 8.971 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -9.684 2.958 9.564 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.753 1.580 9.318 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -11.799 3.106 8.459 1.00 10.00 H new ATOM 527 N THR A 40 -6.999 3.636 8.556 1.00 10.00 N ATOM 528 CA THR A 40 -6.025 4.612 9.034 1.00 10.00 C ATOM 529 C THR A 40 -5.287 5.298 7.859 1.00 10.00 C ATOM 530 O THR A 40 -5.003 6.512 7.901 1.00 10.00 O ATOM 531 CB THR A 40 -5.009 3.920 9.980 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.729 3.275 11.048 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.012 4.914 10.568 1.00 10.00 C ATOM 0 H THR A 40 -6.746 2.666 8.743 1.00 10.00 H new ATOM 0 HA THR A 40 -6.560 5.386 9.584 1.00 10.00 H new ATOM 0 HB THR A 40 -4.446 3.190 9.399 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.028 2.389 10.753 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.319 4.389 11.225 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.456 5.392 9.761 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.548 5.672 11.139 1.00 10.00 H new ATOM 541 N SER A 41 -5.030 4.529 6.808 1.00 10.00 N ATOM 542 CA SER A 41 -4.277 4.989 5.663 1.00 10.00 C ATOM 543 C SER A 41 -4.969 6.167 4.961 1.00 10.00 C ATOM 544 O SER A 41 -4.367 7.214 4.802 1.00 10.00 O ATOM 545 CB SER A 41 -4.037 3.826 4.686 1.00 10.00 C ATOM 546 OG SER A 41 -3.152 4.192 3.651 1.00 10.00 O ATOM 0 H SER A 41 -5.344 3.561 6.732 1.00 10.00 H new ATOM 0 HA SER A 41 -3.313 5.353 6.018 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.630 2.972 5.228 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.987 3.508 4.257 1.00 10.00 H new ATOM 0 HG SER A 41 -3.437 3.772 2.813 1.00 10.00 H new ATOM 552 N GLN A 42 -6.245 6.002 4.598 1.00 10.00 N ATOM 553 CA GLN A 42 -7.005 7.053 3.862 1.00 10.00 C ATOM 554 C GLN A 42 -7.030 8.344 4.607 1.00 10.00 C ATOM 555 O GLN A 42 -6.742 9.379 4.053 1.00 10.00 O ATOM 556 CB GLN A 42 -8.426 6.612 3.638 1.00 10.00 C ATOM 557 CG GLN A 42 -8.503 5.387 2.810 1.00 10.00 C ATOM 558 CD GLN A 42 -9.586 4.443 3.209 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.124 3.699 2.383 1.00 10.00 O ATOM 560 NE2 GLN A 42 -9.921 4.429 4.460 1.00 10.00 N ATOM 0 H GLN A 42 -6.784 5.159 4.795 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.496 7.202 2.910 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.905 6.430 4.600 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.982 7.414 3.152 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.653 5.675 1.769 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.547 4.867 2.862 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.459 5.055 5.119 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -10.647 3.791 4.786 1.00 10.00 H new ATOM 569 N ALA A 43 -7.330 8.257 5.876 1.00 10.00 N ATOM 570 CA ALA A 43 -7.478 9.416 6.720 1.00 10.00 C ATOM 571 C ALA A 43 -6.184 10.236 6.805 1.00 10.00 C ATOM 572 O ALA A 43 -6.215 11.454 6.885 1.00 10.00 O ATOM 573 CB ALA A 43 -7.975 8.978 8.078 1.00 10.00 C ATOM 0 H ALA A 43 -7.480 7.371 6.359 1.00 10.00 H new ATOM 0 HA ALA A 43 -8.216 10.086 6.279 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -8.089 9.850 8.722 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.938 8.478 7.969 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.257 8.289 8.524 1.00 10.00 H new ATOM 579 N HIS A 44 -5.061 9.560 6.735 1.00 10.00 N ATOM 580 CA HIS A 44 -3.771 10.229 6.757 1.00 10.00 C ATOM 581 C HIS A 44 -3.372 10.630 5.366 1.00 10.00 C ATOM 582 O HIS A 44 -2.892 11.715 5.169 1.00 10.00 O ATOM 583 CB HIS A 44 -2.706 9.313 7.337 1.00 10.00 C ATOM 584 CG HIS A 44 -1.288 9.843 7.310 1.00 10.00 C ATOM 585 ND1 HIS A 44 -0.292 9.200 6.633 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.704 10.920 7.885 1.00 10.00 C ATOM 587 CE1 HIS A 44 0.830 9.838 6.781 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.626 10.883 7.534 1.00 10.00 N ATOM 0 H HIS A 44 -5.010 8.544 6.662 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.859 11.118 7.382 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.970 9.091 8.371 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.730 8.369 6.792 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -1.188 11.664 8.500 1.00 10.00 H new ATOM 0 HE1 HIS A 44 1.778 9.550 6.350 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.335 11.560 7.816 1.00 10.00 H new ATOM 597 N ASN A 45 -3.553 9.750 4.426 1.00 10.00 N ATOM 598 CA ASN A 45 -3.133 9.990 3.055 1.00 10.00 C ATOM 599 C ASN A 45 -3.917 11.091 2.415 1.00 10.00 C ATOM 600 O ASN A 45 -3.341 11.965 1.820 1.00 10.00 O ATOM 601 CB ASN A 45 -3.141 8.709 2.209 1.00 10.00 C ATOM 602 CG ASN A 45 -1.992 7.769 2.551 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.458 7.776 3.676 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.602 6.952 1.606 1.00 10.00 N ATOM 0 H ASN A 45 -3.994 8.843 4.576 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.096 10.324 3.101 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.087 8.188 2.356 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.085 8.976 1.154 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.840 6.297 1.781 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.060 6.971 0.695 1.00 10.00 H new ATOM 611 N ALA A 46 -5.219 11.103 2.612 1.00 10.00 N ATOM 612 CA ALA A 46 -6.057 12.162 2.063 1.00 10.00 C ATOM 613 C ALA A 46 -5.691 13.489 2.701 1.00 10.00 C ATOM 614 O ALA A 46 -5.687 14.538 2.042 1.00 10.00 O ATOM 615 CB ALA A 46 -7.518 11.863 2.307 1.00 10.00 C ATOM 0 H ALA A 46 -5.724 10.396 3.146 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.888 12.218 0.988 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.128 12.664 1.890 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.781 10.920 1.828 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.700 11.789 3.379 1.00 10.00 H new ATOM 621 N ARG A 47 -5.345 13.432 3.975 1.00 10.00 N ATOM 622 CA ARG A 47 -4.970 14.599 4.716 1.00 10.00 C ATOM 623 C ARG A 47 -3.601 15.062 4.279 1.00 10.00 C ATOM 624 O ARG A 47 -3.365 16.256 4.083 1.00 10.00 O ATOM 625 CB ARG A 47 -4.942 14.261 6.174 1.00 10.00 C ATOM 626 CG ARG A 47 -4.909 15.453 7.102 1.00 10.00 C ATOM 627 CD ARG A 47 -5.048 15.003 8.541 1.00 10.00 C ATOM 628 NE ARG A 47 -6.317 14.290 8.773 1.00 10.00 N ATOM 629 CZ ARG A 47 -6.533 13.373 9.727 1.00 10.00 C ATOM 630 NH1 ARG A 47 -5.595 13.113 10.631 1.00 10.00 N ATOM 631 NH2 ARG A 47 -7.694 12.733 9.783 1.00 10.00 N ATOM 0 H ARG A 47 -5.320 12.568 4.516 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.691 15.396 4.534 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.820 13.659 6.410 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -4.068 13.640 6.372 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -3.973 15.997 6.973 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -5.716 16.141 6.850 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -4.213 14.352 8.800 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -4.993 15.870 9.200 1.00 10.00 H new ATOM 0 HE ARG A 47 -7.097 14.513 8.155 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -4.706 13.612 10.601 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -5.764 12.415 11.355 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -8.423 12.938 9.100 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -7.857 12.036 10.509 1.00 10.00 H new ATOM 645 N ALA A 48 -2.691 14.115 4.107 1.00 10.00 N ATOM 646 CA ALA A 48 -1.362 14.447 3.690 1.00 10.00 C ATOM 647 C ALA A 48 -1.260 14.719 2.191 1.00 10.00 C ATOM 648 O ALA A 48 -0.192 15.087 1.717 1.00 10.00 O ATOM 649 CB ALA A 48 -0.345 13.428 4.140 1.00 10.00 C ATOM 0 H ALA A 48 -2.859 13.119 4.252 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.122 15.383 4.194 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.646 13.727 3.798 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.350 13.365 5.228 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.595 12.454 3.720 1.00 10.00 H new ATOM 655 N GLN A 49 -2.399 14.555 1.458 1.00 10.00 N ATOM 656 CA GLN A 49 -2.543 14.865 -0.012 1.00 10.00 C ATOM 657 C GLN A 49 -1.929 13.758 -0.873 1.00 10.00 C ATOM 658 O GLN A 49 -1.676 13.922 -2.078 1.00 10.00 O ATOM 659 CB GLN A 49 -1.927 16.229 -0.326 1.00 10.00 C ATOM 660 CG GLN A 49 -2.444 17.290 0.575 1.00 10.00 C ATOM 661 CD GLN A 49 -1.386 18.302 0.927 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.229 19.331 0.274 1.00 10.00 O ATOM 663 NE2 GLN A 49 -0.614 17.982 1.948 1.00 10.00 N ATOM 0 H GLN A 49 -3.261 14.199 1.870 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.605 14.908 -0.256 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.843 16.168 -0.231 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.142 16.495 -1.361 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.282 17.795 0.095 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.827 16.834 1.488 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -0.781 17.117 2.462 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.150 18.600 2.223 1.00 10.00 H new ATOM 672 N LEU A 50 -1.738 12.643 -0.238 1.00 10.00 N ATOM 673 CA LEU A 50 -1.194 11.439 -0.807 1.00 10.00 C ATOM 674 C LEU A 50 -2.258 10.622 -1.528 1.00 10.00 C ATOM 675 O LEU A 50 -3.299 10.273 -0.961 1.00 10.00 O ATOM 676 CB LEU A 50 -0.526 10.618 0.292 1.00 10.00 C ATOM 677 CG LEU A 50 0.925 10.989 0.644 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.125 12.469 0.854 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.384 10.254 1.864 1.00 10.00 C ATOM 0 H LEU A 50 -1.970 12.538 0.750 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.450 11.715 -1.555 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.129 10.705 1.196 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.547 9.570 -0.006 1.00 10.00 H new ATOM 0 HG LEU A 50 1.523 10.693 -0.218 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.169 12.664 1.099 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.860 13.005 -0.057 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.491 12.809 1.672 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.413 10.534 2.092 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.743 10.512 2.707 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.331 9.180 1.683 1.00 10.00 H new ATOM 691 N THR A 51 -1.983 10.331 -2.763 1.00 10.00 N ATOM 692 CA THR A 51 -2.870 9.629 -3.631 1.00 10.00 C ATOM 693 C THR A 51 -2.287 8.245 -3.951 1.00 10.00 C ATOM 694 O THR A 51 -1.095 8.077 -3.935 1.00 10.00 O ATOM 695 CB THR A 51 -3.154 10.526 -4.836 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.940 10.904 -5.460 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.800 11.792 -4.314 1.00 10.00 C ATOM 0 H THR A 51 -1.101 10.587 -3.207 1.00 10.00 H new ATOM 0 HA THR A 51 -3.836 9.419 -3.172 1.00 10.00 H new ATOM 0 HB THR A 51 -3.787 9.996 -5.547 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.001 10.734 -6.423 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.018 12.459 -5.148 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.727 11.541 -3.798 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.121 12.288 -3.620 1.00 10.00 H new ATOM 705 N GLY A 52 -3.120 7.257 -4.175 1.00 10.00 N ATOM 706 CA GLY A 52 -2.628 5.907 -4.096 1.00 10.00 C ATOM 707 C GLY A 52 -3.522 4.845 -4.622 1.00 10.00 C ATOM 708 O GLY A 52 -4.619 5.093 -5.088 1.00 10.00 O ATOM 0 H GLY A 52 -4.109 7.357 -4.406 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.683 5.856 -4.636 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.410 5.684 -3.052 1.00 10.00 H new ATOM 712 N ALA A 53 -3.022 3.672 -4.551 1.00 10.00 N ATOM 713 CA ALA A 53 -3.753 2.461 -4.858 1.00 10.00 C ATOM 714 C ALA A 53 -2.933 1.286 -4.390 1.00 10.00 C ATOM 715 O ALA A 53 -1.717 1.422 -4.199 1.00 10.00 O ATOM 716 CB ALA A 53 -4.111 2.343 -6.343 1.00 10.00 C ATOM 0 H ALA A 53 -2.057 3.500 -4.269 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.709 2.484 -4.334 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.658 1.416 -6.513 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.732 3.189 -6.636 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.198 2.340 -6.938 1.00 10.00 H new ATOM 722 N LEU A 54 -3.570 0.172 -4.126 1.00 10.00 N ATOM 723 CA LEU A 54 -2.836 -1.009 -3.773 1.00 10.00 C ATOM 724 C LEU A 54 -3.567 -2.230 -4.250 1.00 10.00 C ATOM 725 O LEU A 54 -4.811 -2.304 -4.171 1.00 10.00 O ATOM 726 CB LEU A 54 -2.487 -1.059 -2.255 1.00 10.00 C ATOM 727 CG LEU A 54 -3.522 -1.557 -1.222 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.576 -3.088 -1.171 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.203 -0.998 0.156 1.00 10.00 C ATOM 0 H LEU A 54 -4.584 0.062 -4.149 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.873 -0.981 -4.283 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.602 -1.687 -2.150 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -2.199 -0.050 -1.959 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.502 -1.198 -1.536 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.315 -3.402 -0.434 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -3.855 -3.475 -2.151 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -2.597 -3.478 -0.892 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.940 -1.357 0.874 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.210 -1.327 0.461 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.230 0.091 0.122 1.00 10.00 H new ATOM 741 N PHE A 55 -2.819 -3.169 -4.736 1.00 10.00 N ATOM 742 CA PHE A 55 -3.349 -4.377 -5.278 1.00 10.00 C ATOM 743 C PHE A 55 -2.768 -5.568 -4.545 1.00 10.00 C ATOM 744 O PHE A 55 -1.567 -5.867 -4.646 1.00 10.00 O ATOM 745 CB PHE A 55 -3.071 -4.461 -6.785 1.00 10.00 C ATOM 746 CG PHE A 55 -3.648 -3.304 -7.560 1.00 10.00 C ATOM 747 CD1 PHE A 55 -5.006 -3.242 -7.833 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.831 -2.272 -8.009 1.00 10.00 C ATOM 749 CE1 PHE A 55 -5.540 -2.175 -8.530 1.00 10.00 C ATOM 750 CE2 PHE A 55 -3.360 -1.205 -8.707 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.716 -1.156 -8.969 1.00 10.00 C ATOM 0 H PHE A 55 -1.801 -3.115 -4.767 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.430 -4.384 -5.142 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.994 -4.498 -6.948 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -3.484 -5.392 -7.173 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.654 -4.038 -7.497 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.770 -2.306 -7.809 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -6.600 -2.137 -8.732 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.715 -0.409 -9.048 1.00 10.00 H new ATOM 0 HZ PHE A 55 -5.131 -0.323 -9.516 1.00 10.00 H new ATOM 761 N TYR A 56 -3.602 -6.197 -3.772 1.00 10.00 N ATOM 762 CA TYR A 56 -3.243 -7.366 -3.005 1.00 10.00 C ATOM 763 C TYR A 56 -3.730 -8.566 -3.817 1.00 10.00 C ATOM 764 O TYR A 56 -4.943 -8.759 -3.969 1.00 10.00 O ATOM 765 CB TYR A 56 -3.964 -7.282 -1.631 1.00 10.00 C ATOM 766 CG TYR A 56 -3.642 -8.354 -0.586 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.753 -9.719 -0.855 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.276 -7.979 0.697 1.00 10.00 C ATOM 769 CE1 TYR A 56 -3.499 -10.665 0.121 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.017 -8.915 1.673 1.00 10.00 C ATOM 771 CZ TYR A 56 -3.130 -10.254 1.381 1.00 10.00 C ATOM 772 OH TYR A 56 -2.879 -11.183 2.361 1.00 10.00 O ATOM 0 H TYR A 56 -4.573 -5.910 -3.650 1.00 10.00 H new ATOM 0 HA TYR A 56 -2.172 -7.448 -2.820 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.737 -6.310 -1.193 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -5.038 -7.306 -1.815 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -4.043 -10.042 -1.844 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.192 -6.929 0.937 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -3.590 -11.717 -0.104 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.726 -8.599 2.664 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.630 -10.724 3.190 1.00 10.00 H new ATOM 782 N SER A 57 -2.822 -9.322 -4.373 1.00 10.00 N ATOM 783 CA SER A 57 -3.203 -10.413 -5.240 1.00 10.00 C ATOM 784 C SER A 57 -2.590 -11.742 -4.796 1.00 10.00 C ATOM 785 O SER A 57 -1.395 -11.980 -4.990 1.00 10.00 O ATOM 786 CB SER A 57 -2.783 -10.085 -6.672 1.00 10.00 C ATOM 787 OG SER A 57 -3.256 -8.793 -7.054 1.00 10.00 O ATOM 0 H SER A 57 -1.817 -9.207 -4.244 1.00 10.00 H new ATOM 0 HA SER A 57 -4.285 -10.529 -5.186 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.697 -10.119 -6.754 1.00 10.00 H new ATOM 0 HB3 SER A 57 -3.178 -10.838 -7.354 1.00 10.00 H new ATOM 0 HG SER A 57 -2.976 -8.601 -7.973 1.00 10.00 H new ATOM 793 N GLN A 58 -3.403 -12.553 -4.103 1.00 10.00 N ATOM 794 CA GLN A 58 -3.074 -13.938 -3.683 1.00 10.00 C ATOM 795 C GLN A 58 -1.933 -14.005 -2.628 1.00 10.00 C ATOM 796 O GLN A 58 -1.611 -15.069 -2.092 1.00 10.00 O ATOM 797 CB GLN A 58 -2.761 -14.815 -4.931 1.00 10.00 C ATOM 798 CG GLN A 58 -2.563 -16.298 -4.647 1.00 10.00 C ATOM 799 CD GLN A 58 -3.773 -16.946 -4.000 1.00 10.00 C ATOM 800 OE1 GLN A 58 -4.918 -16.542 -4.227 1.00 10.00 O ATOM 801 NE2 GLN A 58 -3.544 -17.942 -3.190 1.00 10.00 N ATOM 0 H GLN A 58 -4.335 -12.263 -3.807 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.954 -14.341 -3.182 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.575 -14.704 -5.647 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.861 -14.430 -5.410 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -2.337 -16.814 -5.580 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -1.698 -16.425 -3.996 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -2.587 -18.253 -3.022 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -4.322 -18.410 -2.724 1.00 10.00 H new ATOM 810 N GLY A 59 -1.362 -12.881 -2.319 1.00 10.00 N ATOM 811 CA GLY A 59 -0.274 -12.840 -1.387 1.00 10.00 C ATOM 812 C GLY A 59 0.702 -11.758 -1.746 1.00 10.00 C ATOM 813 O GLY A 59 1.379 -11.218 -0.883 1.00 10.00 O ATOM 0 H GLY A 59 -1.632 -11.974 -2.700 1.00 10.00 H new ATOM 0 HA2 GLY A 59 -0.658 -12.669 -0.381 1.00 10.00 H new ATOM 0 HA3 GLY A 59 0.235 -13.804 -1.374 1.00 10.00 H new ATOM 817 N VAL A 60 0.779 -11.422 -3.017 1.00 10.00 N ATOM 818 CA VAL A 60 1.659 -10.353 -3.411 1.00 10.00 C ATOM 819 C VAL A 60 0.965 -9.043 -3.140 1.00 10.00 C ATOM 820 O VAL A 60 -0.226 -8.866 -3.446 1.00 10.00 O ATOM 821 CB VAL A 60 2.196 -10.442 -4.883 1.00 10.00 C ATOM 822 CG1 VAL A 60 2.882 -11.777 -5.130 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.111 -10.186 -5.928 1.00 10.00 C ATOM 0 H VAL A 60 0.256 -11.863 -3.774 1.00 10.00 H new ATOM 0 HA VAL A 60 2.564 -10.440 -2.810 1.00 10.00 H new ATOM 0 HB VAL A 60 2.930 -9.644 -4.995 1.00 10.00 H new ATOM 0 HG11 VAL A 60 3.246 -11.815 -6.157 1.00 10.00 H new ATOM 0 HG12 VAL A 60 3.721 -11.887 -4.444 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.171 -12.587 -4.967 1.00 10.00 H new ATOM 0 HG21 VAL A 60 1.542 -10.261 -6.926 1.00 10.00 H new ATOM 0 HG22 VAL A 60 0.319 -10.926 -5.819 1.00 10.00 H new ATOM 0 HG23 VAL A 60 0.697 -9.188 -5.786 1.00 10.00 H new ATOM 833 N PHE A 61 1.662 -8.187 -2.510 1.00 10.00 N ATOM 834 CA PHE A 61 1.127 -6.961 -2.055 1.00 10.00 C ATOM 835 C PHE A 61 1.799 -5.808 -2.811 1.00 10.00 C ATOM 836 O PHE A 61 2.985 -5.539 -2.600 1.00 10.00 O ATOM 837 CB PHE A 61 1.544 -6.914 -0.619 1.00 10.00 C ATOM 838 CG PHE A 61 0.637 -6.352 0.384 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.483 -5.611 0.068 1.00 10.00 C ATOM 840 CD2 PHE A 61 0.928 -6.603 1.691 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.281 -5.136 1.080 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.158 -6.146 2.689 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.946 -5.412 2.393 1.00 10.00 C ATOM 0 H PHE A 61 2.649 -8.318 -2.287 1.00 10.00 H new ATOM 0 HA PHE A 61 0.050 -6.878 -2.198 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.774 -7.935 -0.314 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.475 -6.349 -0.569 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.730 -5.407 -0.963 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.804 -7.187 1.930 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.161 -4.553 0.853 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.413 -6.359 3.717 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.569 -5.040 3.192 1.00 10.00 H new ATOM 853 N PHE A 62 1.086 -5.160 -3.681 1.00 10.00 N ATOM 854 CA PHE A 62 1.643 -4.038 -4.417 1.00 10.00 C ATOM 855 C PHE A 62 0.989 -2.764 -3.943 1.00 10.00 C ATOM 856 O PHE A 62 -0.219 -2.614 -4.067 1.00 10.00 O ATOM 857 CB PHE A 62 1.450 -4.232 -5.925 1.00 10.00 C ATOM 858 CG PHE A 62 1.988 -3.124 -6.781 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.324 -3.094 -7.132 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.154 -2.120 -7.246 1.00 10.00 C ATOM 861 CE1 PHE A 62 3.818 -2.088 -7.929 1.00 10.00 C ATOM 862 CE2 PHE A 62 1.644 -1.111 -8.037 1.00 10.00 C ATOM 863 CZ PHE A 62 2.975 -1.093 -8.379 1.00 10.00 C ATOM 0 H PHE A 62 0.116 -5.380 -3.907 1.00 10.00 H new ATOM 0 HA PHE A 62 2.715 -3.976 -4.231 1.00 10.00 H new ATOM 0 HB2 PHE A 62 1.930 -5.165 -6.220 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.385 -4.343 -6.128 1.00 10.00 H new ATOM 0 HD1 PHE A 62 3.987 -3.869 -6.777 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.107 -2.131 -6.983 1.00 10.00 H new ATOM 0 HE1 PHE A 62 4.863 -2.077 -8.202 1.00 10.00 H new ATOM 0 HE2 PHE A 62 0.984 -0.332 -8.390 1.00 10.00 H new ATOM 0 HZ PHE A 62 3.361 -0.299 -9.001 1.00 10.00 H new ATOM 873 N GLN A 63 1.767 -1.869 -3.386 1.00 10.00 N ATOM 874 CA GLN A 63 1.229 -0.651 -2.809 1.00 10.00 C ATOM 875 C GLN A 63 2.154 0.497 -3.158 1.00 10.00 C ATOM 876 O GLN A 63 3.371 0.369 -2.990 1.00 10.00 O ATOM 877 CB GLN A 63 1.195 -0.846 -1.280 1.00 10.00 C ATOM 878 CG GLN A 63 0.232 0.025 -0.453 1.00 10.00 C ATOM 879 CD GLN A 63 0.468 1.536 -0.425 1.00 10.00 C ATOM 880 OE1 GLN A 63 -0.465 2.300 -0.288 1.00 10.00 O ATOM 881 NE2 GLN A 63 1.692 1.976 -0.521 1.00 10.00 N ATOM 0 H GLN A 63 2.781 -1.957 -3.317 1.00 10.00 H new ATOM 0 HA GLN A 63 0.230 -0.434 -3.188 1.00 10.00 H new ATOM 0 HB2 GLN A 63 0.950 -1.890 -1.084 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.203 -0.678 -0.901 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.777 -0.148 -0.827 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.257 -0.335 0.575 1.00 10.00 H new ATOM 0 HE21 GLN A 63 2.463 1.318 -0.636 1.00 10.00 H new ATOM 0 HE22 GLN A 63 1.878 2.978 -0.481 1.00 10.00 H new ATOM 890 N TRP A 64 1.628 1.589 -3.644 1.00 10.00 N ATOM 891 CA TRP A 64 2.446 2.756 -3.835 1.00 10.00 C ATOM 892 C TRP A 64 1.637 3.999 -3.507 1.00 10.00 C ATOM 893 O TRP A 64 0.401 3.925 -3.401 1.00 10.00 O ATOM 894 CB TRP A 64 3.052 2.834 -5.237 1.00 10.00 C ATOM 895 CG TRP A 64 2.242 3.398 -6.339 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.563 4.507 -7.057 1.00 10.00 C ATOM 897 CD2 TRP A 64 1.013 2.919 -6.861 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.629 4.735 -8.005 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.656 3.781 -7.905 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.183 1.852 -6.555 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.486 3.602 -8.637 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -0.963 1.683 -7.282 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.287 2.555 -8.311 1.00 10.00 C ATOM 0 H TRP A 64 0.650 1.695 -3.912 1.00 10.00 H new ATOM 0 HA TRP A 64 3.293 2.687 -3.153 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.967 3.422 -5.167 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.343 1.824 -5.526 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.439 5.117 -6.893 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.647 5.495 -8.685 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.436 1.168 -5.759 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.742 4.270 -9.446 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.624 0.860 -7.052 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.199 2.397 -8.867 1.00 10.00 H new ATOM 914 N LEU A 65 2.297 5.115 -3.350 1.00 10.00 N ATOM 915 CA LEU A 65 1.617 6.344 -3.006 1.00 10.00 C ATOM 916 C LEU A 65 2.294 7.544 -3.632 1.00 10.00 C ATOM 917 O LEU A 65 3.519 7.608 -3.687 1.00 10.00 O ATOM 918 CB LEU A 65 1.544 6.544 -1.484 1.00 10.00 C ATOM 919 CG LEU A 65 2.882 6.619 -0.751 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.705 7.345 0.543 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.464 5.234 -0.472 1.00 10.00 C ATOM 0 H LEU A 65 3.308 5.203 -3.454 1.00 10.00 H new ATOM 0 HA LEU A 65 0.604 6.259 -3.400 1.00 10.00 H new ATOM 0 HB2 LEU A 65 0.992 7.462 -1.285 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.965 5.725 -1.058 1.00 10.00 H new ATOM 0 HG LEU A 65 3.579 7.153 -1.397 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.661 7.397 1.064 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.343 8.354 0.347 1.00 10.00 H new ATOM 0 HD13 LEU A 65 1.982 6.814 1.162 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.415 5.337 0.050 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.770 4.666 0.147 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.623 4.710 -1.414 1.00 10.00 H new ATOM 933 N GLU A 66 1.491 8.463 -4.104 1.00 10.00 N ATOM 934 CA GLU A 66 1.926 9.710 -4.673 1.00 10.00 C ATOM 935 C GLU A 66 1.777 10.776 -3.584 1.00 10.00 C ATOM 936 O GLU A 66 0.697 10.934 -3.042 1.00 10.00 O ATOM 937 CB GLU A 66 0.968 10.140 -5.784 1.00 10.00 C ATOM 938 CG GLU A 66 0.627 9.163 -6.898 1.00 10.00 C ATOM 939 CD GLU A 66 -0.368 9.810 -7.876 1.00 10.00 C ATOM 940 OE1 GLU A 66 0.061 10.583 -8.768 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.610 9.591 -7.753 1.00 10.00 O ATOM 0 H GLU A 66 0.476 8.357 -4.102 1.00 10.00 H new ATOM 0 HA GLU A 66 2.943 9.601 -5.050 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.032 10.436 -5.311 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.387 11.033 -6.249 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.534 8.872 -7.428 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.198 8.254 -6.477 1.00 10.00 H new ATOM 948 N GLY A 67 2.808 11.488 -3.268 1.00 10.00 N ATOM 949 CA GLY A 67 2.702 12.510 -2.254 1.00 10.00 C ATOM 950 C GLY A 67 3.913 13.415 -2.259 1.00 10.00 C ATOM 951 O GLY A 67 4.814 13.199 -3.045 1.00 10.00 O ATOM 0 H GLY A 67 3.732 11.390 -3.688 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.802 13.102 -2.423 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.597 12.044 -1.274 1.00 10.00 H new ATOM 955 N HIS A 68 3.925 14.453 -1.436 1.00 10.00 N ATOM 956 CA HIS A 68 5.148 15.262 -1.295 1.00 10.00 C ATOM 957 C HIS A 68 6.185 14.397 -0.577 1.00 10.00 C ATOM 958 O HIS A 68 5.879 13.893 0.478 1.00 10.00 O ATOM 959 CB HIS A 68 4.889 16.545 -0.475 1.00 10.00 C ATOM 960 CG HIS A 68 6.119 17.309 -0.137 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.867 17.106 1.004 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.738 18.201 -0.826 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.931 17.871 0.961 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.877 18.559 -0.156 1.00 10.00 N ATOM 0 H HIS A 68 3.134 14.756 -0.868 1.00 10.00 H new ATOM 0 HA HIS A 68 5.496 15.571 -2.280 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.215 17.192 -1.036 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.376 16.276 0.448 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.413 18.601 -1.775 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.709 17.925 1.708 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.565 19.243 -0.471 1.00 10.00 H new ATOM 973 N PRO A 69 7.433 14.274 -1.127 1.00 10.00 N ATOM 974 CA PRO A 69 8.502 13.343 -0.664 1.00 10.00 C ATOM 975 C PRO A 69 8.555 13.068 0.835 1.00 10.00 C ATOM 976 O PRO A 69 8.588 11.926 1.255 1.00 10.00 O ATOM 977 CB PRO A 69 9.797 14.014 -1.129 1.00 10.00 C ATOM 978 CG PRO A 69 9.375 15.234 -1.899 1.00 10.00 C ATOM 979 CD PRO A 69 7.933 15.048 -2.249 1.00 10.00 C ATOM 0 HA PRO A 69 8.318 12.352 -1.078 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.423 14.286 -0.279 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.383 13.341 -1.754 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.515 16.135 -1.302 1.00 10.00 H new ATOM 0 HG3 PRO A 69 9.979 15.351 -2.799 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.413 16.001 -2.348 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.810 14.519 -3.194 1.00 10.00 H new ATOM 987 N ALA A 70 8.517 14.099 1.630 1.00 10.00 N ATOM 988 CA ALA A 70 8.630 13.923 3.069 1.00 10.00 C ATOM 989 C ALA A 70 7.412 13.315 3.717 1.00 10.00 C ATOM 990 O ALA A 70 7.510 12.682 4.772 1.00 10.00 O ATOM 991 CB ALA A 70 9.026 15.177 3.745 1.00 10.00 C ATOM 0 H ALA A 70 8.410 15.065 1.321 1.00 10.00 H new ATOM 0 HA ALA A 70 9.428 13.192 3.202 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.100 15.004 4.819 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.992 15.507 3.363 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.278 15.946 3.552 1.00 10.00 H new ATOM 997 N ALA A 71 6.298 13.491 3.108 1.00 10.00 N ATOM 998 CA ALA A 71 5.081 12.911 3.593 1.00 10.00 C ATOM 999 C ALA A 71 5.126 11.441 3.309 1.00 10.00 C ATOM 1000 O ALA A 71 4.775 10.608 4.135 1.00 10.00 O ATOM 1001 CB ALA A 71 3.929 13.505 2.864 1.00 10.00 C ATOM 0 H ALA A 71 6.194 14.041 2.256 1.00 10.00 H new ATOM 0 HA ALA A 71 4.971 13.097 4.661 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.001 13.066 3.230 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.911 14.582 3.029 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.030 13.303 1.798 1.00 10.00 H new ATOM 1007 N VAL A 72 5.625 11.158 2.126 1.00 10.00 N ATOM 1008 CA VAL A 72 5.787 9.813 1.612 1.00 10.00 C ATOM 1009 C VAL A 72 6.776 9.098 2.498 1.00 10.00 C ATOM 1010 O VAL A 72 6.620 7.941 2.792 1.00 10.00 O ATOM 1011 CB VAL A 72 6.383 9.834 0.182 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.054 8.610 -0.559 1.00 10.00 C ATOM 1013 CG2 VAL A 72 5.946 11.019 -0.597 1.00 10.00 C ATOM 0 H VAL A 72 5.939 11.878 1.475 1.00 10.00 H new ATOM 0 HA VAL A 72 4.814 9.323 1.592 1.00 10.00 H new ATOM 0 HB VAL A 72 7.464 9.892 0.310 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.489 8.661 -1.557 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.457 7.746 -0.031 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.971 8.513 -0.639 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.392 10.985 -1.591 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.860 11.015 -0.686 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.265 11.928 -0.087 1.00 10.00 H new ATOM 1023 N ALA A 73 7.787 9.827 2.926 1.00 10.00 N ATOM 1024 CA ALA A 73 8.811 9.298 3.788 1.00 10.00 C ATOM 1025 C ALA A 73 8.340 9.105 5.214 1.00 10.00 C ATOM 1026 O ALA A 73 8.843 8.236 5.915 1.00 10.00 O ATOM 1027 CB ALA A 73 10.002 10.160 3.785 1.00 10.00 C ATOM 0 H ALA A 73 7.917 10.809 2.681 1.00 10.00 H new ATOM 0 HA ALA A 73 9.063 8.318 3.384 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.759 9.736 4.445 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.400 10.228 2.772 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.731 11.156 4.136 1.00 10.00 H new ATOM 1033 N GLU A 74 7.442 9.951 5.673 1.00 10.00 N ATOM 1034 CA GLU A 74 6.816 9.752 6.994 1.00 10.00 C ATOM 1035 C GLU A 74 6.066 8.436 6.937 1.00 10.00 C ATOM 1036 O GLU A 74 6.138 7.597 7.852 1.00 10.00 O ATOM 1037 CB GLU A 74 5.897 10.950 7.357 1.00 10.00 C ATOM 1038 CG GLU A 74 5.226 10.889 8.741 1.00 10.00 C ATOM 1039 CD GLU A 74 3.793 10.386 8.713 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.575 9.159 8.621 1.00 10.00 O ATOM 1041 OE2 GLU A 74 2.857 11.233 8.813 1.00 10.00 O ATOM 0 H GLU A 74 7.122 10.778 5.170 1.00 10.00 H new ATOM 0 HA GLU A 74 7.565 9.709 7.785 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.487 11.865 7.301 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.117 11.027 6.600 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.815 10.241 9.390 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.242 11.884 9.185 1.00 10.00 H new ATOM 1048 N VAL A 75 5.421 8.238 5.813 1.00 10.00 N ATOM 1049 CA VAL A 75 4.777 7.011 5.485 1.00 10.00 C ATOM 1050 C VAL A 75 5.815 5.870 5.413 1.00 10.00 C ATOM 1051 O VAL A 75 5.627 4.848 6.048 1.00 10.00 O ATOM 1052 CB VAL A 75 3.987 7.157 4.160 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.539 5.828 3.626 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.786 8.053 4.370 1.00 10.00 C ATOM 0 H VAL A 75 5.333 8.951 5.089 1.00 10.00 H new ATOM 0 HA VAL A 75 4.061 6.758 6.267 1.00 10.00 H new ATOM 0 HB VAL A 75 4.657 7.603 3.426 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.989 5.976 2.697 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.409 5.200 3.437 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.893 5.342 4.356 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.236 8.150 3.434 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.136 7.618 5.129 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.119 9.037 4.699 1.00 10.00 H new ATOM 1064 N MET A 76 6.906 6.056 4.632 1.00 10.00 N ATOM 1065 CA MET A 76 8.006 5.095 4.551 1.00 10.00 C ATOM 1066 C MET A 76 8.509 4.697 5.915 1.00 10.00 C ATOM 1067 O MET A 76 8.595 3.527 6.202 1.00 10.00 O ATOM 1068 CB MET A 76 9.174 5.641 3.720 1.00 10.00 C ATOM 1069 CG MET A 76 8.882 5.943 2.265 1.00 10.00 C ATOM 1070 SD MET A 76 8.750 4.525 1.162 1.00 10.00 S ATOM 1071 CE MET A 76 7.237 3.795 1.714 1.00 10.00 C ATOM 0 H MET A 76 7.038 6.880 4.045 1.00 10.00 H new ATOM 0 HA MET A 76 7.601 4.212 4.057 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.532 6.555 4.193 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.990 4.919 3.762 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.949 6.504 2.213 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.668 6.597 1.888 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.691 3.399 0.858 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.456 2.986 2.411 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.630 4.550 2.214 1.00 10.00 H new ATOM 1081 N SER A 77 8.812 5.672 6.742 1.00 10.00 N ATOM 1082 CA SER A 77 9.304 5.433 8.094 1.00 10.00 C ATOM 1083 C SER A 77 8.325 4.541 8.885 1.00 10.00 C ATOM 1084 O SER A 77 8.730 3.562 9.501 1.00 10.00 O ATOM 1085 CB SER A 77 9.542 6.789 8.794 1.00 10.00 C ATOM 1086 OG SER A 77 10.066 6.649 10.093 1.00 10.00 O ATOM 0 H SER A 77 8.726 6.660 6.502 1.00 10.00 H new ATOM 0 HA SER A 77 10.251 4.896 8.049 1.00 10.00 H new ATOM 0 HB2 SER A 77 10.227 7.387 8.193 1.00 10.00 H new ATOM 0 HB3 SER A 77 8.601 7.337 8.844 1.00 10.00 H new ATOM 0 HG SER A 77 10.199 7.535 10.489 1.00 10.00 H new ATOM 1092 N HIS A 78 7.041 4.838 8.797 1.00 10.00 N ATOM 1093 CA HIS A 78 6.030 4.024 9.477 1.00 10.00 C ATOM 1094 C HIS A 78 5.852 2.638 8.817 1.00 10.00 C ATOM 1095 O HIS A 78 5.509 1.659 9.475 1.00 10.00 O ATOM 1096 CB HIS A 78 4.682 4.767 9.571 1.00 10.00 C ATOM 1097 CG HIS A 78 4.671 5.883 10.582 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.489 7.222 10.272 1.00 10.00 N ATOM 1099 CD2 HIS A 78 4.801 5.837 11.926 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.516 7.930 11.379 1.00 10.00 C ATOM 1101 NE2 HIS A 78 4.702 7.117 12.391 1.00 10.00 N ATOM 0 H HIS A 78 6.669 5.627 8.269 1.00 10.00 H new ATOM 0 HA HIS A 78 6.395 3.853 10.490 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.434 5.175 8.591 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.900 4.051 9.826 1.00 10.00 H new ATOM 0 HD1 HIS A 78 4.355 7.598 9.333 1.00 10.00 H new ATOM 0 HD2 HIS A 78 4.955 4.950 12.523 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.404 9.002 11.444 1.00 10.00 H new ATOM 1110 N ILE A 79 6.148 2.573 7.548 1.00 10.00 N ATOM 1111 CA ILE A 79 5.959 1.394 6.719 1.00 10.00 C ATOM 1112 C ILE A 79 7.135 0.401 6.745 1.00 10.00 C ATOM 1113 O ILE A 79 6.914 -0.806 6.854 1.00 10.00 O ATOM 1114 CB ILE A 79 5.577 1.836 5.275 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.059 1.956 5.110 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.248 1.051 4.168 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.627 2.355 3.726 1.00 10.00 C ATOM 0 H ILE A 79 6.542 3.362 7.036 1.00 10.00 H new ATOM 0 HA ILE A 79 5.136 0.824 7.150 1.00 10.00 H new ATOM 0 HB ILE A 79 5.995 2.835 5.153 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.599 1.001 5.362 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.683 2.689 5.823 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.919 1.432 3.201 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.330 1.157 4.251 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.979 -0.002 4.254 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.540 2.419 3.689 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.056 3.325 3.476 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.972 1.610 3.008 1.00 10.00 H new ATOM 1129 N GLN A 80 8.335 0.906 6.578 1.00 10.00 N ATOM 1130 CA GLN A 80 9.573 0.147 6.599 1.00 10.00 C ATOM 1131 C GLN A 80 9.839 -0.549 7.936 1.00 10.00 C ATOM 1132 O GLN A 80 10.585 -1.517 7.999 1.00 10.00 O ATOM 1133 CB GLN A 80 10.709 1.069 6.172 1.00 10.00 C ATOM 1134 CG GLN A 80 10.533 1.564 4.733 1.00 10.00 C ATOM 1135 CD GLN A 80 10.594 0.449 3.794 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.648 0.081 3.295 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.507 -0.096 3.539 1.00 10.00 N ATOM 0 H GLN A 80 8.486 1.902 6.416 1.00 10.00 H new ATOM 0 HA GLN A 80 9.491 -0.677 5.890 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.756 1.924 6.847 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.658 0.541 6.261 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.577 2.078 4.634 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.311 2.290 4.495 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.651 0.243 3.978 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.471 -0.883 2.891 1.00 10.00 H new ATOM 1146 N ARG A 81 9.179 -0.099 8.993 1.00 10.00 N ATOM 1147 CA ARG A 81 9.257 -0.768 10.310 1.00 10.00 C ATOM 1148 C ARG A 81 8.299 -1.981 10.360 1.00 10.00 C ATOM 1149 O ARG A 81 7.900 -2.459 11.424 1.00 10.00 O ATOM 1150 CB ARG A 81 8.947 0.229 11.411 1.00 10.00 C ATOM 1151 CG ARG A 81 9.944 1.348 11.454 1.00 10.00 C ATOM 1152 CD ARG A 81 9.605 2.390 12.487 1.00 10.00 C ATOM 1153 NE ARG A 81 10.569 3.493 12.443 1.00 10.00 N ATOM 1154 CZ ARG A 81 10.334 4.745 12.847 1.00 10.00 C ATOM 1155 NH1 ARG A 81 9.182 5.060 13.442 1.00 10.00 N ATOM 1156 NH2 ARG A 81 11.259 5.680 12.663 1.00 10.00 N ATOM 0 H ARG A 81 8.580 0.726 8.978 1.00 10.00 H new ATOM 0 HA ARG A 81 10.269 -1.143 10.463 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.949 0.639 11.258 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.937 -0.284 12.372 1.00 10.00 H new ATOM 0 HG2 ARG A 81 10.932 0.940 11.666 1.00 10.00 H new ATOM 0 HG3 ARG A 81 9.997 1.819 10.473 1.00 10.00 H new ATOM 0 HD2 ARG A 81 8.599 2.772 12.310 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.605 1.939 13.479 1.00 10.00 H new ATOM 0 HE ARG A 81 11.497 3.288 12.073 1.00 10.00 H new ATOM 0 HH11 ARG A 81 8.472 4.343 13.592 1.00 10.00 H new ATOM 0 HH12 ARG A 81 9.011 6.018 13.747 1.00 10.00 H new ATOM 0 HH21 ARG A 81 12.144 5.441 12.215 1.00 10.00 H new ATOM 0 HH22 ARG A 81 11.085 6.637 12.969 1.00 10.00 H new ATOM 1170 N ASP A 82 7.973 -2.445 9.172 1.00 10.00 N ATOM 1171 CA ASP A 82 7.148 -3.605 8.851 1.00 10.00 C ATOM 1172 C ASP A 82 7.315 -4.860 9.672 1.00 10.00 C ATOM 1173 O ASP A 82 8.361 -5.138 10.269 1.00 10.00 O ATOM 1174 CB ASP A 82 7.259 -3.891 7.371 1.00 10.00 C ATOM 1175 CG ASP A 82 6.867 -5.278 6.898 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.674 -5.619 7.015 1.00 10.00 O ATOM 1177 OD2 ASP A 82 7.696 -5.991 6.379 1.00 10.00 O ATOM 0 H ASP A 82 8.306 -1.982 8.326 1.00 10.00 H new ATOM 0 HA ASP A 82 6.142 -3.302 9.140 1.00 10.00 H new ATOM 0 HB2 ASP A 82 6.641 -3.167 6.840 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.291 -3.711 7.069 1.00 10.00 H new ATOM 1182 N ARG A 83 6.208 -5.592 9.621 1.00 10.00 N ATOM 1183 CA ARG A 83 5.888 -6.832 10.301 1.00 10.00 C ATOM 1184 C ARG A 83 4.436 -7.260 9.874 1.00 10.00 C ATOM 1185 O ARG A 83 3.732 -7.951 10.596 1.00 10.00 O ATOM 1186 CB ARG A 83 5.994 -6.598 11.815 1.00 10.00 C ATOM 1187 CG ARG A 83 5.420 -5.262 12.240 1.00 10.00 C ATOM 1188 CD ARG A 83 5.688 -4.962 13.708 1.00 10.00 C ATOM 1189 NE ARG A 83 5.006 -5.902 14.613 1.00 10.00 N ATOM 1190 CZ ARG A 83 4.631 -5.617 15.873 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.951 -4.444 16.414 1.00 10.00 N ATOM 1192 NH2 ARG A 83 3.958 -6.512 16.589 1.00 10.00 N ATOM 0 H ARG A 83 5.429 -5.293 9.035 1.00 10.00 H new ATOM 0 HA ARG A 83 6.578 -7.633 10.034 1.00 10.00 H new ATOM 0 HB2 ARG A 83 5.471 -7.397 12.340 1.00 10.00 H new ATOM 0 HB3 ARG A 83 7.041 -6.651 12.115 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.850 -4.472 11.625 1.00 10.00 H new ATOM 0 HG3 ARG A 83 4.345 -5.257 12.060 1.00 10.00 H new ATOM 0 HD2 ARG A 83 6.762 -5.000 13.892 1.00 10.00 H new ATOM 0 HD3 ARG A 83 5.362 -3.946 13.933 1.00 10.00 H new ATOM 0 HE ARG A 83 4.803 -6.837 14.259 1.00 10.00 H new ATOM 0 HH11 ARG A 83 5.481 -3.761 15.873 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.666 -4.228 17.369 1.00 10.00 H new ATOM 0 HH21 ARG A 83 3.724 -7.418 16.183 1.00 10.00 H new ATOM 0 HH22 ARG A 83 3.675 -6.293 17.544 1.00 10.00 H new ATOM 1206 N ARG A 84 4.033 -6.852 8.636 1.00 10.00 N ATOM 1207 CA ARG A 84 2.671 -7.067 8.065 1.00 10.00 C ATOM 1208 C ARG A 84 2.751 -7.284 6.544 1.00 10.00 C ATOM 1209 O ARG A 84 2.195 -8.203 5.994 1.00 10.00 O ATOM 1210 CB ARG A 84 1.702 -5.862 8.288 1.00 10.00 C ATOM 1211 CG ARG A 84 1.064 -5.717 9.674 1.00 10.00 C ATOM 1212 CD ARG A 84 1.973 -5.062 10.681 1.00 10.00 C ATOM 1213 NE ARG A 84 2.280 -3.659 10.328 1.00 10.00 N ATOM 1214 CZ ARG A 84 2.804 -2.757 11.180 1.00 10.00 C ATOM 1215 NH1 ARG A 84 2.970 -3.063 12.452 1.00 10.00 N ATOM 1216 NH2 ARG A 84 3.094 -1.536 10.769 1.00 10.00 N ATOM 0 H ARG A 84 4.656 -6.357 7.997 1.00 10.00 H new ATOM 0 HA ARG A 84 2.282 -7.941 8.588 1.00 10.00 H new ATOM 0 HB2 ARG A 84 2.250 -4.945 8.072 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.900 -5.935 7.554 1.00 10.00 H new ATOM 0 HG2 ARG A 84 0.149 -5.132 9.586 1.00 10.00 H new ATOM 0 HG3 ARG A 84 0.778 -6.703 10.040 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.505 -5.093 11.665 1.00 10.00 H new ATOM 0 HD3 ARG A 84 2.902 -5.628 10.752 1.00 10.00 H new ATOM 0 HE ARG A 84 2.082 -3.354 9.375 1.00 10.00 H new ATOM 0 HH11 ARG A 84 2.701 -3.986 12.794 1.00 10.00 H new ATOM 0 HH12 ARG A 84 3.367 -2.377 13.094 1.00 10.00 H new ATOM 0 HH21 ARG A 84 2.921 -1.270 9.800 1.00 10.00 H new ATOM 0 HH22 ARG A 84 3.491 -0.859 11.421 1.00 10.00 H new ATOM 1230 N HIS A 85 3.485 -6.460 5.897 1.00 10.00 N ATOM 1231 CA HIS A 85 3.603 -6.467 4.463 1.00 10.00 C ATOM 1232 C HIS A 85 4.943 -6.983 4.090 1.00 10.00 C ATOM 1233 O HIS A 85 5.798 -6.278 3.585 1.00 10.00 O ATOM 1234 CB HIS A 85 3.241 -5.136 3.774 1.00 10.00 C ATOM 1235 CG HIS A 85 3.858 -3.855 4.317 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.711 -2.638 3.726 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.547 -3.604 5.435 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.288 -1.734 4.468 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.792 -2.290 5.504 1.00 10.00 N ATOM 0 H HIS A 85 4.042 -5.736 6.350 1.00 10.00 H new ATOM 0 HA HIS A 85 2.841 -7.143 4.075 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.517 -5.219 2.723 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.157 -5.026 3.811 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.855 -4.340 6.163 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.333 -0.679 4.243 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.294 -1.814 6.253 1.00 10.00 H new ATOM 1248 N SER A 86 5.003 -8.246 4.273 1.00 10.00 N ATOM 1249 CA SER A 86 6.149 -9.141 4.318 1.00 10.00 C ATOM 1250 C SER A 86 7.589 -8.609 4.474 1.00 10.00 C ATOM 1251 O SER A 86 8.315 -9.052 5.359 1.00 10.00 O ATOM 1252 CB SER A 86 5.962 -10.290 3.415 1.00 10.00 C ATOM 1253 OG SER A 86 5.987 -11.511 4.119 1.00 10.00 O ATOM 0 H SER A 86 4.141 -8.772 4.417 1.00 10.00 H new ATOM 0 HA SER A 86 6.114 -9.484 5.352 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.012 -10.191 2.891 1.00 10.00 H new ATOM 0 HB3 SER A 86 6.746 -10.290 2.657 1.00 10.00 H new ATOM 0 HG SER A 86 5.859 -12.253 3.492 1.00 10.00 H new ATOM 1259 N ASN A 87 7.977 -7.713 3.636 1.00 10.00 N ATOM 1260 CA ASN A 87 9.346 -7.132 3.664 1.00 10.00 C ATOM 1261 C ASN A 87 9.381 -5.679 3.271 1.00 10.00 C ATOM 1262 O ASN A 87 10.385 -4.988 3.497 1.00 10.00 O ATOM 1263 CB ASN A 87 10.368 -7.894 2.799 1.00 10.00 C ATOM 1264 CG ASN A 87 10.692 -9.291 3.277 1.00 10.00 C ATOM 1265 OD1 ASN A 87 11.558 -9.486 4.127 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.068 -10.274 2.689 1.00 10.00 N ATOM 0 H ASN A 87 7.382 -7.338 2.897 1.00 10.00 H new ATOM 0 HA ASN A 87 9.637 -7.231 4.710 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.986 -7.954 1.780 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.291 -7.316 2.760 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.294 -11.239 2.931 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.354 -10.078 1.987 1.00 10.00 H new ATOM 1273 N VAL A 88 8.277 -5.237 2.746 1.00 10.00 N ATOM 1274 CA VAL A 88 8.092 -3.951 2.133 1.00 10.00 C ATOM 1275 C VAL A 88 9.290 -3.361 1.435 1.00 10.00 C ATOM 1276 O VAL A 88 9.959 -2.443 1.930 1.00 10.00 O ATOM 1277 CB VAL A 88 7.256 -2.957 2.962 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.833 -2.664 4.282 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.988 -1.675 2.241 1.00 10.00 C ATOM 0 H VAL A 88 7.426 -5.800 2.733 1.00 10.00 H new ATOM 0 HA VAL A 88 7.448 -4.190 1.286 1.00 10.00 H new ATOM 0 HB VAL A 88 6.308 -3.473 3.115 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.193 -1.958 4.810 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.909 -3.586 4.858 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.825 -2.231 4.157 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.395 -1.017 2.877 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.933 -1.190 1.998 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.440 -1.882 1.322 1.00 10.00 H new ATOM 1289 N GLU A 89 9.555 -3.901 0.300 1.00 10.00 N ATOM 1290 CA GLU A 89 10.657 -3.463 -0.481 1.00 10.00 C ATOM 1291 C GLU A 89 10.168 -2.468 -1.476 1.00 10.00 C ATOM 1292 O GLU A 89 9.559 -2.833 -2.492 1.00 10.00 O ATOM 1293 CB GLU A 89 11.316 -4.630 -1.164 1.00 10.00 C ATOM 1294 CG GLU A 89 11.737 -5.673 -0.196 1.00 10.00 C ATOM 1295 CD GLU A 89 12.047 -6.983 -0.835 1.00 10.00 C ATOM 1296 OE1 GLU A 89 11.109 -7.774 -1.066 1.00 10.00 O ATOM 1297 OE2 GLU A 89 13.214 -7.258 -1.120 1.00 10.00 O ATOM 0 H GLU A 89 9.014 -4.660 -0.115 1.00 10.00 H new ATOM 0 HA GLU A 89 11.404 -2.996 0.161 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.626 -5.064 -1.888 1.00 10.00 H new ATOM 0 HB3 GLU A 89 12.185 -4.281 -1.722 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.617 -5.323 0.344 1.00 10.00 H new ATOM 0 HG3 GLU A 89 10.946 -5.815 0.541 1.00 10.00 H new ATOM 1304 N ILE A 90 10.269 -1.226 -1.070 1.00 10.00 N ATOM 1305 CA ILE A 90 10.027 -0.063 -1.906 1.00 10.00 C ATOM 1306 C ILE A 90 10.725 -0.286 -3.200 1.00 10.00 C ATOM 1307 O ILE A 90 10.111 -0.577 -4.212 1.00 10.00 O ATOM 1308 CB ILE A 90 10.548 1.251 -1.209 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.296 1.211 0.288 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.875 2.513 -1.764 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.855 1.023 0.645 1.00 10.00 C ATOM 0 H ILE A 90 10.531 -0.983 -0.115 1.00 10.00 H new ATOM 0 HA ILE A 90 8.957 0.066 -2.069 1.00 10.00 H new ATOM 0 HB ILE A 90 11.617 1.294 -1.417 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.879 0.401 0.725 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.655 2.139 0.734 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.268 3.391 -1.251 1.00 10.00 H new ATOM 0 HG22 ILE A 90 10.079 2.595 -2.832 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.799 2.452 -1.604 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.748 1.004 1.730 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.269 1.846 0.237 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.497 0.082 0.229 1.00 10.00 H new ATOM 1323 N LEU A 91 11.994 -0.219 -3.131 1.00 10.00 N ATOM 1324 CA LEU A 91 12.904 -0.448 -4.232 1.00 10.00 C ATOM 1325 C LEU A 91 12.819 0.660 -5.296 1.00 10.00 C ATOM 1326 O LEU A 91 13.777 0.886 -6.042 1.00 10.00 O ATOM 1327 CB LEU A 91 12.715 -1.862 -4.842 1.00 10.00 C ATOM 1328 CG LEU A 91 12.943 -3.059 -3.885 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.638 -4.361 -4.600 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.379 -3.075 -3.379 1.00 10.00 C ATOM 0 H LEU A 91 12.478 0.009 -2.262 1.00 10.00 H new ATOM 0 HA LEU A 91 13.915 -0.407 -3.826 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.703 -1.930 -5.240 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.397 -1.964 -5.686 1.00 10.00 H new ATOM 0 HG LEU A 91 12.273 -2.950 -3.032 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.801 -5.197 -3.919 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.599 -4.360 -4.931 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.294 -4.464 -5.464 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.519 -3.923 -2.708 1.00 10.00 H new ATOM 0 HD22 LEU A 91 15.062 -3.164 -4.224 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.586 -2.149 -2.842 1.00 10.00 H new ATOM 1342 N ALA A 92 11.692 1.369 -5.357 1.00 10.00 N ATOM 1343 CA ALA A 92 11.538 2.421 -6.315 1.00 10.00 C ATOM 1344 C ALA A 92 10.975 3.656 -5.664 1.00 10.00 C ATOM 1345 O ALA A 92 9.832 3.667 -5.196 1.00 10.00 O ATOM 1346 CB ALA A 92 10.645 1.974 -7.451 1.00 10.00 C ATOM 0 H ALA A 92 10.886 1.222 -4.750 1.00 10.00 H new ATOM 0 HA ALA A 92 12.522 2.662 -6.718 1.00 10.00 H new ATOM 0 HB1 ALA A 92 10.538 2.786 -8.171 1.00 10.00 H new ATOM 0 HB2 ALA A 92 11.088 1.108 -7.943 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.664 1.705 -7.059 1.00 10.00 H new ATOM 1352 N GLU A 93 11.772 4.679 -5.611 1.00 10.00 N ATOM 1353 CA GLU A 93 11.353 5.948 -5.094 1.00 10.00 C ATOM 1354 C GLU A 93 11.560 6.963 -6.206 1.00 10.00 C ATOM 1355 O GLU A 93 12.703 7.279 -6.586 1.00 10.00 O ATOM 1356 CB GLU A 93 12.160 6.298 -3.832 1.00 10.00 C ATOM 1357 CG GLU A 93 12.069 5.234 -2.766 1.00 10.00 C ATOM 1358 CD GLU A 93 12.892 5.519 -1.537 1.00 10.00 C ATOM 1359 OE1 GLU A 93 14.099 5.167 -1.507 1.00 10.00 O ATOM 1360 OE2 GLU A 93 12.354 6.067 -0.564 1.00 10.00 O ATOM 0 H GLU A 93 12.741 4.657 -5.928 1.00 10.00 H new ATOM 0 HA GLU A 93 10.305 5.937 -4.795 1.00 10.00 H new ATOM 0 HB2 GLU A 93 13.205 6.445 -4.104 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.800 7.244 -3.427 1.00 10.00 H new ATOM 0 HG2 GLU A 93 11.026 5.118 -2.472 1.00 10.00 H new ATOM 0 HG3 GLU A 93 12.388 4.282 -3.190 1.00 10.00 H new ATOM 1367 N GLU A 94 10.477 7.452 -6.744 1.00 10.00 N ATOM 1368 CA GLU A 94 10.528 8.301 -7.915 1.00 10.00 C ATOM 1369 C GLU A 94 9.822 9.634 -7.718 1.00 10.00 C ATOM 1370 O GLU A 94 8.753 9.693 -7.120 1.00 10.00 O ATOM 1371 CB GLU A 94 9.966 7.533 -9.116 1.00 10.00 C ATOM 1372 CG GLU A 94 8.620 6.854 -8.852 1.00 10.00 C ATOM 1373 CD GLU A 94 8.129 6.025 -10.009 1.00 10.00 C ATOM 1374 OE1 GLU A 94 8.590 4.877 -10.183 1.00 10.00 O ATOM 1375 OE2 GLU A 94 7.288 6.520 -10.790 1.00 10.00 O ATOM 0 H GLU A 94 9.536 7.278 -6.390 1.00 10.00 H new ATOM 0 HA GLU A 94 11.571 8.556 -8.102 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.855 8.222 -9.954 1.00 10.00 H new ATOM 0 HB3 GLU A 94 10.689 6.776 -9.420 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.709 6.218 -7.971 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.876 7.617 -8.620 1.00 10.00 H new ATOM 1382 N SER A 95 10.434 10.690 -8.210 1.00 10.00 N ATOM 1383 CA SER A 95 9.873 12.016 -8.144 1.00 10.00 C ATOM 1384 C SER A 95 8.795 12.142 -9.200 1.00 10.00 C ATOM 1385 O SER A 95 9.025 11.846 -10.380 1.00 10.00 O ATOM 1386 CB SER A 95 10.980 13.062 -8.345 1.00 10.00 C ATOM 1387 OG SER A 95 10.486 14.399 -8.261 1.00 10.00 O ATOM 0 H SER A 95 11.343 10.648 -8.671 1.00 10.00 H new ATOM 0 HA SER A 95 9.427 12.191 -7.165 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.755 12.916 -7.593 1.00 10.00 H new ATOM 0 HB3 SER A 95 11.447 12.910 -9.318 1.00 10.00 H new ATOM 0 HG SER A 95 9.626 14.401 -7.792 1.00 10.00 H new ATOM 1393 N ILE A 96 7.621 12.559 -8.792 1.00 10.00 N ATOM 1394 CA ILE A 96 6.514 12.623 -9.716 1.00 10.00 C ATOM 1395 C ILE A 96 5.878 13.972 -9.891 1.00 10.00 C ATOM 1396 O ILE A 96 6.163 14.921 -9.168 1.00 10.00 O ATOM 1397 CB ILE A 96 5.421 11.636 -9.430 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.935 11.754 -8.008 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.874 10.228 -9.784 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.608 11.159 -7.783 1.00 10.00 C ATOM 0 H ILE A 96 7.408 12.856 -7.840 1.00 10.00 H new ATOM 0 HA ILE A 96 7.017 12.367 -10.649 1.00 10.00 H new ATOM 0 HB ILE A 96 4.564 11.867 -10.063 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.656 11.273 -7.346 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.902 12.808 -7.731 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.070 9.523 -9.571 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.126 10.182 -10.844 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.751 9.968 -9.191 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.326 11.283 -6.737 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.874 11.656 -8.418 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.639 10.097 -8.027 1.00 10.00 H new ATOM 1412 N ALA A 97 4.988 14.029 -10.876 1.00 10.00 N ATOM 1413 CA ALA A 97 4.217 15.229 -11.173 1.00 10.00 C ATOM 1414 C ALA A 97 2.890 15.199 -10.490 1.00 10.00 C ATOM 1415 O ALA A 97 2.224 16.214 -10.310 1.00 10.00 O ATOM 1416 CB ALA A 97 4.045 15.403 -12.642 1.00 10.00 C ATOM 0 H ALA A 97 4.781 13.242 -11.492 1.00 10.00 H new ATOM 0 HA ALA A 97 4.776 16.083 -10.791 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.466 16.306 -12.836 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.023 15.490 -13.115 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.520 14.540 -13.052 1.00 10.00 H new ATOM 1422 N LYS A 98 2.620 14.041 -10.067 1.00 10.00 N ATOM 1423 CA LYS A 98 1.457 13.580 -9.401 1.00 10.00 C ATOM 1424 C LYS A 98 0.140 13.984 -10.034 1.00 10.00 C ATOM 1425 O LYS A 98 -0.264 15.153 -10.070 1.00 10.00 O ATOM 1426 CB LYS A 98 1.501 13.988 -8.042 1.00 10.00 C ATOM 1427 CG LYS A 98 0.719 13.184 -7.130 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.421 13.889 -6.526 1.00 10.00 C ATOM 1429 CE LYS A 98 0.060 14.605 -5.359 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.031 15.104 -4.495 1.00 10.00 N ATOM 0 H LYS A 98 3.291 13.283 -10.190 1.00 10.00 H new ATOM 0 HA LYS A 98 1.478 12.494 -9.487 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.539 13.978 -7.710 1.00 10.00 H new ATOM 0 HB3 LYS A 98 1.156 15.020 -7.978 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.348 12.308 -7.663 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.370 12.822 -6.334 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.863 14.582 -7.242 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.200 13.181 -6.244 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.705 13.947 -4.776 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.673 15.446 -5.683 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.785 16.048 -4.135 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.911 15.162 -5.046 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.166 14.453 -3.695 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.557 12.973 -10.318 1.00 10.00 N ATOM 1445 CA ARG A 99 -1.850 12.978 -11.044 1.00 10.00 C ATOM 1446 C ARG A 99 -2.134 11.561 -11.577 1.00 10.00 C ATOM 1447 O ARG A 99 -2.937 11.372 -12.505 1.00 10.00 O ATOM 1448 CB ARG A 99 -1.809 13.988 -12.239 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.149 14.306 -12.909 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.134 14.915 -11.928 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.381 15.312 -12.580 1.00 10.00 N ATOM 1452 CZ ARG A 99 -6.560 15.466 -11.971 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -6.662 15.302 -10.652 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -7.625 15.820 -12.677 1.00 10.00 N ATOM 0 H ARG A 99 -0.266 12.032 -10.055 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.640 13.286 -10.358 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.376 14.922 -11.882 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.133 13.593 -12.997 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -2.987 14.995 -13.738 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -3.571 13.394 -13.330 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.351 14.196 -11.138 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.681 15.785 -11.452 1.00 10.00 H new ATOM 0 HE ARG A 99 -5.348 15.486 -13.584 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -5.838 15.058 -10.103 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -7.564 15.421 -10.192 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -7.543 15.974 -13.682 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -8.527 15.938 -12.215 1.00 10.00 H new ATOM 1468 N ARG A 100 -1.545 10.564 -10.963 1.00 10.00 N ATOM 1469 CA ARG A 100 -1.642 9.235 -11.464 1.00 10.00 C ATOM 1470 C ARG A 100 -2.953 8.642 -11.019 1.00 10.00 C ATOM 1471 O ARG A 100 -3.729 8.173 -11.845 1.00 10.00 O ATOM 1472 CB ARG A 100 -0.441 8.408 -10.991 1.00 10.00 C ATOM 1473 CG ARG A 100 0.886 9.100 -11.313 1.00 10.00 C ATOM 1474 CD ARG A 100 2.085 8.438 -10.640 1.00 10.00 C ATOM 1475 NE ARG A 100 2.379 7.107 -11.178 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.593 6.506 -11.149 1.00 10.00 C ATOM 1477 NH1 ARG A 100 4.609 7.038 -10.466 1.00 10.00 N ATOM 1478 NH2 ARG A 100 3.755 5.353 -11.767 1.00 10.00 N ATOM 0 H ARG A 100 -0.992 10.660 -10.111 1.00 10.00 H new ATOM 0 HA ARG A 100 -1.620 9.235 -12.554 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -0.514 8.243 -9.916 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -0.465 7.427 -11.466 1.00 10.00 H new ATOM 0 HG2 ARG A 100 1.037 9.099 -12.393 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.831 10.142 -11.000 1.00 10.00 H new ATOM 0 HD2 ARG A 100 2.961 9.075 -10.762 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.896 8.358 -9.570 1.00 10.00 H new ATOM 0 HE ARG A 100 1.610 6.593 -11.608 1.00 10.00 H new ATOM 0 HH11 ARG A 100 4.478 7.911 -9.955 1.00 10.00 H new ATOM 0 HH12 ARG A 100 5.516 6.572 -10.455 1.00 10.00 H new ATOM 0 HH21 ARG A 100 2.972 4.924 -12.259 1.00 10.00 H new ATOM 0 HH22 ARG A 100 4.664 4.890 -11.753 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.246 8.700 -9.728 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.507 8.150 -9.268 1.00 10.00 C ATOM 1494 C PHE A 101 -5.428 9.155 -8.626 1.00 10.00 C ATOM 1495 O PHE A 101 -6.638 8.956 -8.582 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.350 6.850 -8.477 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.072 5.648 -9.357 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -2.881 5.525 -10.049 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.016 4.654 -9.505 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -2.646 4.439 -10.863 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -4.784 3.567 -10.313 1.00 10.00 C ATOM 1502 CZ PHE A 101 -3.600 3.459 -10.992 1.00 10.00 C ATOM 0 H PHE A 101 -2.651 9.107 -9.006 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.032 7.864 -10.179 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.537 6.964 -7.760 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.258 6.670 -7.902 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.125 6.290 -9.950 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -5.955 4.731 -8.976 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -1.712 4.358 -11.400 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.536 2.798 -10.412 1.00 10.00 H new ATOM 0 HZ PHE A 101 -3.416 2.605 -11.628 1.00 10.00 H new ATOM 1512 N ALA A 102 -4.856 10.215 -8.154 1.00 10.00 N ATOM 1513 CA ALA A 102 -5.578 11.375 -7.544 1.00 10.00 C ATOM 1514 C ALA A 102 -6.313 11.063 -6.204 1.00 10.00 C ATOM 1515 O ALA A 102 -6.785 11.975 -5.526 1.00 10.00 O ATOM 1516 CB ALA A 102 -6.506 12.065 -8.551 1.00 10.00 C ATOM 0 H ALA A 102 -3.844 10.339 -8.164 1.00 10.00 H new ATOM 0 HA ALA A 102 -4.788 12.074 -7.271 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.010 12.901 -8.067 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -5.920 12.433 -9.393 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.248 11.352 -8.910 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.383 9.811 -5.843 1.00 10.00 N ATOM 1523 CA GLY A 103 -6.929 9.379 -4.566 1.00 10.00 C ATOM 1524 C GLY A 103 -6.262 8.089 -4.205 1.00 10.00 C ATOM 1525 O GLY A 103 -5.769 7.444 -5.113 1.00 10.00 O ATOM 0 H GLY A 103 -6.060 9.043 -6.431 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.750 10.131 -3.798 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.009 9.246 -4.636 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.184 7.708 -2.922 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.561 6.442 -2.544 1.00 10.00 C ATOM 1531 C TRP A 104 -6.639 5.400 -2.440 1.00 10.00 C ATOM 1532 O TRP A 104 -7.693 5.673 -1.880 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.728 6.594 -1.240 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.159 5.325 -0.661 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -2.889 4.841 -0.760 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -4.866 4.402 0.142 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -2.795 3.657 -0.084 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.006 3.374 0.477 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.160 4.353 0.593 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.427 2.311 1.257 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.570 3.355 1.332 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.734 2.341 1.670 1.00 10.00 C ATOM 0 H TRP A 104 -6.542 8.255 -2.139 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.848 6.124 -3.305 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.904 7.279 -1.438 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.358 7.063 -0.484 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.080 5.320 -1.292 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -1.957 3.080 -0.011 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.847 5.146 0.336 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -3.763 1.503 1.525 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.592 3.338 1.680 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.109 1.534 2.282 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.415 4.222 -3.004 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.461 3.228 -3.026 1.00 10.00 C ATOM 1555 C HIS A 105 -6.966 1.824 -2.831 1.00 10.00 C ATOM 1556 O HIS A 105 -6.169 1.314 -3.610 1.00 10.00 O ATOM 1557 CB HIS A 105 -8.201 3.323 -4.334 1.00 10.00 C ATOM 1558 CG HIS A 105 -9.249 4.404 -4.368 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -9.243 5.451 -5.258 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -10.348 4.581 -3.603 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -10.284 6.220 -5.035 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -10.968 5.715 -4.041 1.00 10.00 N ATOM 0 H HIS A 105 -5.537 3.941 -3.441 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.117 3.442 -2.182 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -7.483 3.502 -5.134 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.676 2.364 -4.541 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.675 3.944 -2.795 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -10.533 7.118 -5.580 1.00 10.00 H new ATOM 0 HE2 HIS A 105 -11.827 6.106 -3.655 1.00 10.00 H new ATOM 1571 N MET A 106 -7.443 1.193 -1.809 1.00 10.00 N ATOM 1572 CA MET A 106 -7.141 -0.188 -1.588 1.00 10.00 C ATOM 1573 C MET A 106 -8.203 -0.992 -2.293 1.00 10.00 C ATOM 1574 O MET A 106 -9.379 -0.708 -2.120 1.00 10.00 O ATOM 1575 CB MET A 106 -7.122 -0.497 -0.091 1.00 10.00 C ATOM 1576 CG MET A 106 -6.796 -1.938 0.240 1.00 10.00 C ATOM 1577 SD MET A 106 -6.543 -2.199 1.994 1.00 10.00 S ATOM 1578 CE MET A 106 -6.078 -3.922 2.009 1.00 10.00 C ATOM 0 H MET A 106 -8.050 1.614 -1.106 1.00 10.00 H new ATOM 0 HA MET A 106 -6.154 -0.439 -1.978 1.00 10.00 H new ATOM 0 HB2 MET A 106 -6.390 0.150 0.393 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.096 -0.250 0.332 1.00 10.00 H new ATOM 0 HG2 MET A 106 -7.607 -2.579 -0.106 1.00 10.00 H new ATOM 0 HG3 MET A 106 -5.899 -2.238 -0.302 1.00 10.00 H new ATOM 0 HE1 MET A 106 -6.701 -4.461 2.722 1.00 10.00 H new ATOM 0 HE2 MET A 106 -6.217 -4.345 1.014 1.00 10.00 H new ATOM 0 HE3 MET A 106 -5.032 -4.014 2.300 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.798 -1.958 -3.112 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.764 -2.748 -3.879 1.00 10.00 C ATOM 1590 C GLN A 107 -9.646 -3.531 -2.899 1.00 10.00 C ATOM 1591 O GLN A 107 -10.836 -3.248 -2.758 1.00 10.00 O ATOM 1592 CB GLN A 107 -8.026 -3.687 -4.864 1.00 10.00 C ATOM 1593 CG GLN A 107 -8.827 -4.097 -6.121 1.00 10.00 C ATOM 1594 CD GLN A 107 -10.106 -4.899 -5.864 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -10.209 -5.658 -4.911 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -11.080 -4.713 -6.710 1.00 10.00 N ATOM 0 H GLN A 107 -6.822 -2.213 -3.263 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.400 -2.093 -4.475 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -7.106 -3.198 -5.185 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -7.736 -4.591 -4.328 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -9.091 -3.194 -6.671 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.176 -4.685 -6.768 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -10.959 -4.072 -7.494 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -11.963 -5.208 -6.588 1.00 10.00 H new