USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=19 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 31:sc= 1.13 USER MOD Set 1.2: A 85 HIS : no HD1:sc= -5.44! K(o=-4.3!,f=-5.8) USER MOD Set 2.1: A 18 SER OG : rot 33:sc= 0.384 USER MOD Set 2.2: A 20 CYS SG : rot -68:sc= 0.908 USER MOD Single : A 19 CYS SG : rot -115:sc= -1.86 USER MOD Single : A 23 SER OG : rot 98:sc= -0.743 USER MOD Single : A 30 THR OG1 : rot 136:sc= 1.38 USER MOD Single : A 40 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 41 SER OG : rot -133:sc= 0.301 USER MOD Single : A 42 GLN : amide:sc= -3.18! K(o=-3.2!,f=-0.6) USER MOD Single : A 44 HIS : no HD1:sc= 0.847 K(o=0.85,f=-4.2!) USER MOD Single : A 45 ASN : amide:sc= -0.0291 K(o=-0.029,f=-1.7!) USER MOD Single : A 49 GLN : amide:sc= 0.453 X(o=0.45,f=0) USER MOD Single : A 51 THR OG1 : rot 123:sc= -0.459 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= -0.729 K(o=-0.73,f=0) USER MOD Single : A 63 GLN : amide:sc= -3.04! K(o=-3!,f=-1.5) USER MOD Single : A 68 HIS : no HD1:sc= -2.97! K(o=-3!,f=-0.6) USER MOD Single : A 76 MET CE :methyl 145:sc= -2.85! (180deg=-6.97!) USER MOD Single : A 77 SER OG : rot 70:sc= 0.269 USER MOD Single : A 78 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.6!) USER MOD Single : A 80 GLN : amide:sc= -6.79! K(o=-6.8!,f=-1.8) USER MOD Single : A 86 SER OG : rot 141:sc= -0.479 USER MOD Single : A 87 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.044) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -130:sc= 0.0555 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= -0.152 X(o=-0.15,f=-0.24) USER MOD Single : A 106 MET CE :methyl -165:sc= -0.222 (180deg=-0.334) USER MOD Single : A 107 GLN : amide:sc= -1.11 K(o=-1.1,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 7.400 18.727 -6.451 1.00 10.00 N ATOM 139 CA ASP A 15 7.558 18.166 -5.176 1.00 10.00 C ATOM 140 C ASP A 15 6.658 17.018 -4.919 1.00 10.00 C ATOM 141 O ASP A 15 6.129 16.849 -3.837 1.00 10.00 O ATOM 142 CB ASP A 15 7.449 19.225 -4.119 1.00 10.00 C ATOM 143 CG ASP A 15 6.099 19.942 -4.114 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.921 20.892 -4.904 1.00 10.00 O ATOM 145 OD2 ASP A 15 5.218 19.589 -3.340 1.00 10.00 O ATOM 0 HA ASP A 15 8.563 17.746 -5.136 1.00 10.00 H new ATOM 0 HB2 ASP A 15 7.614 18.771 -3.142 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.241 19.959 -4.268 1.00 10.00 H new ATOM 150 N LEU A 16 6.544 16.211 -5.871 1.00 10.00 N ATOM 151 CA LEU A 16 5.866 15.006 -5.734 1.00 10.00 C ATOM 152 C LEU A 16 6.811 13.901 -6.011 1.00 10.00 C ATOM 153 O LEU A 16 7.720 14.020 -6.823 1.00 10.00 O ATOM 154 CB LEU A 16 4.641 14.897 -6.608 1.00 10.00 C ATOM 155 CG LEU A 16 3.598 16.013 -6.547 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.281 16.513 -5.146 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.870 17.102 -7.544 1.00 10.00 C ATOM 0 H LEU A 16 6.931 16.371 -6.801 1.00 10.00 H new ATOM 0 HA LEU A 16 5.494 14.949 -4.711 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.978 14.815 -7.641 1.00 10.00 H new ATOM 0 HB3 LEU A 16 4.140 13.961 -6.360 1.00 10.00 H new ATOM 0 HG LEU A 16 2.662 15.550 -6.857 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.532 17.303 -5.202 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.896 15.690 -4.544 1.00 10.00 H new ATOM 0 HD13 LEU A 16 4.188 16.905 -4.686 1.00 10.00 H new ATOM 0 HD21 LEU A 16 3.102 17.871 -7.462 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.847 17.542 -7.345 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.859 16.685 -8.551 1.00 10.00 H new ATOM 169 N VAL A 17 6.594 12.852 -5.341 1.00 10.00 N ATOM 170 CA VAL A 17 7.373 11.713 -5.371 1.00 10.00 C ATOM 171 C VAL A 17 6.430 10.532 -5.164 1.00 10.00 C ATOM 172 O VAL A 17 5.380 10.678 -4.536 1.00 10.00 O ATOM 173 CB VAL A 17 8.484 11.745 -4.271 1.00 10.00 C ATOM 174 CG1 VAL A 17 9.048 10.395 -4.056 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.610 12.712 -4.608 1.00 10.00 C ATOM 0 H VAL A 17 5.799 12.769 -4.707 1.00 10.00 H new ATOM 0 HA VAL A 17 7.896 11.634 -6.324 1.00 10.00 H new ATOM 0 HB VAL A 17 8.003 12.094 -3.358 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.819 10.441 -3.287 1.00 10.00 H new ATOM 0 HG12 VAL A 17 8.257 9.717 -3.737 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.485 10.031 -4.986 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.354 12.695 -3.812 1.00 10.00 H new ATOM 0 HG22 VAL A 17 10.076 12.414 -5.547 1.00 10.00 H new ATOM 0 HG23 VAL A 17 9.207 13.720 -4.707 1.00 10.00 H new ATOM 185 N SER A 18 6.757 9.433 -5.723 1.00 10.00 N ATOM 186 CA SER A 18 5.981 8.267 -5.589 1.00 10.00 C ATOM 187 C SER A 18 6.882 7.105 -5.281 1.00 10.00 C ATOM 188 O SER A 18 7.843 6.824 -6.014 1.00 10.00 O ATOM 189 CB SER A 18 5.174 7.988 -6.856 1.00 10.00 C ATOM 190 OG SER A 18 4.235 6.950 -6.645 1.00 10.00 O ATOM 0 H SER A 18 7.590 9.317 -6.299 1.00 10.00 H new ATOM 0 HA SER A 18 5.274 8.412 -4.772 1.00 10.00 H new ATOM 0 HB2 SER A 18 4.655 8.895 -7.167 1.00 10.00 H new ATOM 0 HB3 SER A 18 5.848 7.713 -7.667 1.00 10.00 H new ATOM 0 HG SER A 18 3.919 6.978 -5.718 1.00 10.00 H new ATOM 196 N CYS A 19 6.620 6.485 -4.188 1.00 10.00 N ATOM 197 CA CYS A 19 7.300 5.297 -3.833 1.00 10.00 C ATOM 198 C CYS A 19 6.398 4.152 -4.217 1.00 10.00 C ATOM 199 O CYS A 19 5.220 4.147 -3.856 1.00 10.00 O ATOM 200 CB CYS A 19 7.610 5.297 -2.343 1.00 10.00 C ATOM 201 SG CYS A 19 8.653 6.684 -1.822 1.00 10.00 S ATOM 0 H CYS A 19 5.922 6.792 -3.511 1.00 10.00 H new ATOM 0 HA CYS A 19 8.256 5.209 -4.350 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.674 5.327 -1.785 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.106 4.362 -2.083 1.00 10.00 H new ATOM 0 HG CYS A 19 9.797 6.232 -1.402 1.00 10.00 H new ATOM 207 N CYS A 20 6.915 3.235 -4.978 1.00 10.00 N ATOM 208 CA CYS A 20 6.146 2.128 -5.468 1.00 10.00 C ATOM 209 C CYS A 20 6.737 0.905 -4.874 1.00 10.00 C ATOM 210 O CYS A 20 7.809 0.518 -5.273 1.00 10.00 O ATOM 211 CB CYS A 20 6.242 2.066 -7.001 1.00 10.00 C ATOM 212 SG CYS A 20 5.772 3.598 -7.844 1.00 10.00 S ATOM 0 H CYS A 20 7.889 3.233 -5.279 1.00 10.00 H new ATOM 0 HA CYS A 20 5.094 2.227 -5.199 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.265 1.812 -7.279 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.605 1.258 -7.360 1.00 10.00 H new ATOM 0 HG CYS A 20 4.498 3.805 -7.690 1.00 10.00 H new ATOM 218 N TYR A 21 6.065 0.294 -3.931 1.00 10.00 N ATOM 219 CA TYR A 21 6.689 -0.758 -3.211 1.00 10.00 C ATOM 220 C TYR A 21 5.980 -2.052 -3.387 1.00 10.00 C ATOM 221 O TYR A 21 4.807 -2.095 -3.799 1.00 10.00 O ATOM 222 CB TYR A 21 6.792 -0.422 -1.706 1.00 10.00 C ATOM 223 CG TYR A 21 5.609 -0.559 -0.765 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.149 -1.808 -0.324 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.036 0.561 -0.218 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.153 -1.907 0.616 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.045 0.465 0.705 1.00 10.00 C ATOM 228 CZ TYR A 21 3.608 -0.770 1.125 1.00 10.00 C ATOM 229 OH TYR A 21 2.635 -0.868 2.075 1.00 10.00 O ATOM 0 H TYR A 21 5.106 0.509 -3.657 1.00 10.00 H new ATOM 0 HA TYR A 21 7.693 -0.862 -3.622 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.590 -1.044 -1.300 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.129 0.612 -1.638 1.00 10.00 H new ATOM 0 HD1 TYR A 21 5.586 -2.708 -0.731 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.380 1.537 -0.527 1.00 10.00 H new ATOM 0 HE1 TYR A 21 3.807 -2.875 0.947 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.598 1.361 1.111 1.00 10.00 H new ATOM 0 HH TYR A 21 2.781 -1.675 2.611 1.00 10.00 H new ATOM 239 N ARG A 22 6.658 -3.105 -3.064 1.00 10.00 N ATOM 240 CA ARG A 22 6.032 -4.364 -3.025 1.00 10.00 C ATOM 241 C ARG A 22 6.333 -5.004 -1.693 1.00 10.00 C ATOM 242 O ARG A 22 7.343 -4.711 -1.055 1.00 10.00 O ATOM 243 CB ARG A 22 6.422 -5.301 -4.215 1.00 10.00 C ATOM 244 CG ARG A 22 7.400 -6.440 -3.891 1.00 10.00 C ATOM 245 CD ARG A 22 8.817 -5.957 -3.679 1.00 10.00 C ATOM 246 NE ARG A 22 9.656 -7.007 -3.090 1.00 10.00 N ATOM 247 CZ ARG A 22 10.372 -7.899 -3.770 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.227 -8.021 -5.083 1.00 10.00 N ATOM 249 NH2 ARG A 22 11.214 -8.686 -3.122 1.00 10.00 N ATOM 0 H ARG A 22 7.649 -3.107 -2.824 1.00 10.00 H new ATOM 0 HA ARG A 22 4.959 -4.210 -3.139 1.00 10.00 H new ATOM 0 HB2 ARG A 22 5.509 -5.738 -4.620 1.00 10.00 H new ATOM 0 HB3 ARG A 22 6.859 -4.689 -5.004 1.00 10.00 H new ATOM 0 HG2 ARG A 22 7.061 -6.959 -2.995 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.387 -7.166 -4.704 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.242 -5.641 -4.632 1.00 10.00 H new ATOM 0 HD3 ARG A 22 8.812 -5.084 -3.027 1.00 10.00 H new ATOM 0 HE ARG A 22 9.694 -7.057 -2.072 1.00 10.00 H new ATOM 0 HH11 ARG A 22 9.562 -7.428 -5.580 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.780 -8.708 -5.596 1.00 10.00 H new ATOM 0 HH21 ARG A 22 11.310 -8.606 -2.110 1.00 10.00 H new ATOM 0 HH22 ARG A 22 11.767 -9.373 -3.634 1.00 10.00 H new ATOM 263 N SER A 23 5.471 -5.805 -1.260 1.00 10.00 N ATOM 264 CA SER A 23 5.698 -6.565 -0.107 1.00 10.00 C ATOM 265 C SER A 23 5.151 -7.942 -0.331 1.00 10.00 C ATOM 266 O SER A 23 4.436 -8.167 -1.295 1.00 10.00 O ATOM 267 CB SER A 23 5.163 -5.875 1.153 1.00 10.00 C ATOM 268 OG SER A 23 3.954 -5.210 0.915 1.00 10.00 O ATOM 0 H SER A 23 4.564 -5.962 -1.699 1.00 10.00 H new ATOM 0 HA SER A 23 6.768 -6.656 0.078 1.00 10.00 H new ATOM 0 HB2 SER A 23 5.020 -6.616 1.939 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.903 -5.162 1.518 1.00 10.00 H new ATOM 0 HG SER A 23 3.207 -5.778 1.197 1.00 10.00 H new ATOM 274 N LEU A 24 5.494 -8.857 0.497 1.00 10.00 N ATOM 275 CA LEU A 24 5.043 -10.233 0.275 1.00 10.00 C ATOM 276 C LEU A 24 4.066 -10.682 1.329 1.00 10.00 C ATOM 277 O LEU A 24 4.205 -11.789 1.839 1.00 10.00 O ATOM 278 CB LEU A 24 6.231 -11.225 0.124 1.00 10.00 C ATOM 279 CG LEU A 24 7.071 -11.178 -1.184 1.00 10.00 C ATOM 280 CD1 LEU A 24 6.204 -11.457 -2.396 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.822 -9.862 -1.361 1.00 10.00 C ATOM 0 H LEU A 24 6.072 -8.713 1.325 1.00 10.00 H new ATOM 0 HA LEU A 24 4.510 -10.237 -0.676 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.910 -11.060 0.961 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.835 -12.235 0.229 1.00 10.00 H new ATOM 0 HG LEU A 24 7.822 -11.963 -1.094 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.815 -11.418 -3.297 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.757 -12.447 -2.303 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.416 -10.707 -2.460 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.390 -9.889 -2.291 1.00 10.00 H new ATOM 0 HD22 LEU A 24 7.109 -9.038 -1.395 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.504 -9.717 -0.523 1.00 10.00 H new ATOM 293 N ALA A 25 3.080 -9.777 1.623 1.00 10.00 N ATOM 294 CA ALA A 25 2.008 -9.916 2.669 1.00 10.00 C ATOM 295 C ALA A 25 2.209 -11.093 3.591 1.00 10.00 C ATOM 296 O ALA A 25 1.966 -12.236 3.203 1.00 10.00 O ATOM 297 CB ALA A 25 0.639 -9.952 2.045 1.00 10.00 C ATOM 0 H ALA A 25 3.006 -8.894 1.118 1.00 10.00 H new ATOM 0 HA ALA A 25 2.088 -9.026 3.293 1.00 10.00 H new ATOM 0 HB1 ALA A 25 -0.114 -10.053 2.826 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.467 -9.029 1.492 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.572 -10.801 1.364 1.00 10.00 H new ATOM 303 N ALA A 26 2.605 -10.806 4.820 1.00 10.00 N ATOM 304 CA ALA A 26 3.054 -11.779 5.730 1.00 10.00 C ATOM 305 C ALA A 26 2.008 -12.828 5.971 1.00 10.00 C ATOM 306 O ALA A 26 0.848 -12.518 6.173 1.00 10.00 O ATOM 307 CB ALA A 26 3.496 -11.093 6.997 1.00 10.00 C ATOM 0 H ALA A 26 2.613 -9.858 5.196 1.00 10.00 H new ATOM 0 HA ALA A 26 3.909 -12.309 5.311 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.847 -11.838 7.711 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.305 -10.398 6.771 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.657 -10.546 7.426 1.00 10.00 H new ATOM 313 N PRO A 27 2.404 -14.088 5.918 1.00 10.00 N ATOM 314 CA PRO A 27 1.504 -15.251 6.108 1.00 10.00 C ATOM 315 C PRO A 27 0.815 -15.258 7.467 1.00 10.00 C ATOM 316 O PRO A 27 -0.182 -15.939 7.681 1.00 10.00 O ATOM 317 CB PRO A 27 2.470 -16.430 6.005 1.00 10.00 C ATOM 318 CG PRO A 27 3.787 -15.818 6.339 1.00 10.00 C ATOM 319 CD PRO A 27 3.778 -14.539 5.632 1.00 10.00 C ATOM 0 HA PRO A 27 0.688 -15.259 5.386 1.00 10.00 H new ATOM 0 HB2 PRO A 27 2.208 -17.228 6.700 1.00 10.00 H new ATOM 0 HB3 PRO A 27 2.470 -16.865 5.006 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.900 -15.678 7.414 1.00 10.00 H new ATOM 0 HG3 PRO A 27 4.614 -16.448 6.011 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.530 -13.848 6.014 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.964 -14.654 4.564 1.00 10.00 H new ATOM 327 N ASP A 28 1.322 -14.452 8.325 1.00 10.00 N ATOM 328 CA ASP A 28 0.872 -14.354 9.701 1.00 10.00 C ATOM 329 C ASP A 28 0.000 -13.127 9.879 1.00 10.00 C ATOM 330 O ASP A 28 -0.305 -12.715 10.996 1.00 10.00 O ATOM 331 CB ASP A 28 2.069 -14.320 10.674 1.00 10.00 C ATOM 332 CG ASP A 28 3.019 -13.153 10.444 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.856 -13.225 9.512 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.991 -12.176 11.217 1.00 10.00 O ATOM 0 H ASP A 28 2.086 -13.814 8.102 1.00 10.00 H new ATOM 0 HA ASP A 28 0.280 -15.239 9.933 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.693 -14.273 11.696 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.626 -15.252 10.582 1.00 10.00 H new ATOM 339 N LEU A 29 -0.415 -12.567 8.770 1.00 10.00 N ATOM 340 CA LEU A 29 -1.259 -11.409 8.769 1.00 10.00 C ATOM 341 C LEU A 29 -2.655 -11.671 9.213 1.00 10.00 C ATOM 342 O LEU A 29 -3.263 -12.701 8.915 1.00 10.00 O ATOM 343 CB LEU A 29 -1.252 -10.693 7.438 1.00 10.00 C ATOM 344 CG LEU A 29 -0.207 -9.613 7.307 1.00 10.00 C ATOM 345 CD1 LEU A 29 -0.174 -9.075 5.902 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.522 -8.498 8.277 1.00 10.00 C ATOM 0 H LEU A 29 -0.173 -12.907 7.840 1.00 10.00 H new ATOM 0 HA LEU A 29 -0.816 -10.752 9.517 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.097 -11.427 6.647 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.235 -10.250 7.274 1.00 10.00 H new ATOM 0 HG LEU A 29 0.772 -10.035 7.535 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.586 -8.297 5.828 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.064 -9.882 5.209 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.148 -8.656 5.650 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.230 -7.714 8.187 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.505 -8.085 8.050 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.519 -8.889 9.294 1.00 10.00 H new ATOM 358 N THR A 30 -3.126 -10.753 9.954 1.00 10.00 N ATOM 359 CA THR A 30 -4.421 -10.739 10.451 1.00 10.00 C ATOM 360 C THR A 30 -5.286 -9.785 9.701 1.00 10.00 C ATOM 361 O THR A 30 -4.880 -8.669 9.410 1.00 10.00 O ATOM 362 CB THR A 30 -4.341 -10.347 11.861 1.00 10.00 C ATOM 363 OG1 THR A 30 -3.065 -9.711 12.097 1.00 10.00 O ATOM 364 CG2 THR A 30 -4.494 -11.547 12.700 1.00 10.00 C ATOM 0 H THR A 30 -2.576 -9.944 10.243 1.00 10.00 H new ATOM 0 HA THR A 30 -4.869 -11.726 10.340 1.00 10.00 H new ATOM 0 HB THR A 30 -5.135 -9.643 12.112 1.00 10.00 H new ATOM 0 HG1 THR A 30 -3.197 -8.904 12.638 1.00 10.00 H new ATOM 0 HG21 THR A 30 -4.436 -11.266 13.751 1.00 10.00 H new ATOM 0 HG22 THR A 30 -5.461 -12.009 12.501 1.00 10.00 H new ATOM 0 HG23 THR A 30 -3.699 -12.256 12.470 1.00 10.00 H new ATOM 372 N LEU A 31 -6.486 -10.219 9.410 1.00 10.00 N ATOM 373 CA LEU A 31 -7.465 -9.454 8.666 1.00 10.00 C ATOM 374 C LEU A 31 -7.764 -8.173 9.368 1.00 10.00 C ATOM 375 O LEU A 31 -7.869 -7.143 8.727 1.00 10.00 O ATOM 376 CB LEU A 31 -8.727 -10.229 8.611 1.00 10.00 C ATOM 377 CG LEU A 31 -9.892 -9.650 7.812 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.609 -9.650 6.323 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.165 -10.401 8.124 1.00 10.00 C ATOM 0 H LEU A 31 -6.822 -11.140 9.690 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.070 -9.252 7.670 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.497 -11.212 8.200 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.069 -10.383 9.635 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.019 -8.610 8.112 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.462 -9.230 5.790 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.723 -9.048 6.121 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.438 -10.672 5.985 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -11.988 -9.978 7.548 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.041 -11.452 7.862 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.386 -10.316 9.188 1.00 10.00 H new ATOM 391 N ARG A 32 -7.858 -8.208 10.697 1.00 10.00 N ATOM 392 CA ARG A 32 -8.233 -6.994 11.390 1.00 10.00 C ATOM 393 C ARG A 32 -7.145 -5.952 11.234 1.00 10.00 C ATOM 394 O ARG A 32 -7.405 -4.752 11.247 1.00 10.00 O ATOM 395 CB ARG A 32 -8.598 -7.228 12.847 1.00 10.00 C ATOM 396 CG ARG A 32 -9.235 -6.008 13.508 1.00 10.00 C ATOM 397 CD ARG A 32 -10.511 -5.589 12.769 1.00 10.00 C ATOM 398 NE ARG A 32 -11.437 -6.710 12.577 1.00 10.00 N ATOM 399 CZ ARG A 32 -12.572 -6.659 11.874 1.00 10.00 C ATOM 400 NH1 ARG A 32 -13.053 -5.485 11.445 1.00 10.00 N ATOM 401 NH2 ARG A 32 -13.239 -7.781 11.633 1.00 10.00 N ATOM 0 H ARG A 32 -7.688 -9.024 11.284 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.144 -6.618 10.925 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -9.287 -8.070 12.912 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -7.701 -7.506 13.400 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -9.470 -6.234 14.548 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -8.525 -5.181 13.514 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.011 -4.800 13.331 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -10.245 -5.170 11.798 1.00 10.00 H new ATOM 0 HE ARG A 32 -11.195 -7.599 13.015 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -12.552 -4.621 11.654 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.920 -5.454 10.909 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -12.884 -8.671 11.983 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -14.107 -7.754 11.097 1.00 10.00 H new ATOM 415 N ASP A 33 -5.938 -6.424 11.010 1.00 10.00 N ATOM 416 CA ASP A 33 -4.847 -5.555 10.725 1.00 10.00 C ATOM 417 C ASP A 33 -5.030 -4.905 9.380 1.00 10.00 C ATOM 418 O ASP A 33 -4.927 -3.702 9.297 1.00 10.00 O ATOM 419 CB ASP A 33 -3.484 -6.244 10.831 1.00 10.00 C ATOM 420 CG ASP A 33 -2.998 -6.375 12.255 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.406 -7.312 12.955 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.198 -5.540 12.695 1.00 10.00 O ATOM 0 H ASP A 33 -5.699 -7.416 11.023 1.00 10.00 H new ATOM 0 HA ASP A 33 -4.850 -4.782 11.493 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -3.548 -7.235 10.382 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -2.752 -5.680 10.254 1.00 10.00 H new ATOM 427 N LEU A 34 -5.412 -5.681 8.330 1.00 10.00 N ATOM 428 CA LEU A 34 -5.573 -5.058 6.973 1.00 10.00 C ATOM 429 C LEU A 34 -6.714 -4.081 6.976 1.00 10.00 C ATOM 430 O LEU A 34 -6.666 -3.034 6.332 1.00 10.00 O ATOM 431 CB LEU A 34 -5.827 -6.066 5.821 1.00 10.00 C ATOM 432 CG LEU A 34 -4.700 -7.021 5.414 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.423 -6.268 5.059 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.460 -8.020 6.484 1.00 10.00 C ATOM 0 H LEU A 34 -5.606 -6.681 8.380 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.616 -4.572 6.782 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.690 -6.672 6.097 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -6.109 -5.493 4.938 1.00 10.00 H new ATOM 0 HG LEU A 34 -5.015 -7.550 4.515 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.648 -6.980 4.776 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.618 -5.593 4.225 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -3.089 -5.692 5.922 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.657 -8.692 6.181 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.177 -7.508 7.403 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.370 -8.596 6.655 1.00 10.00 H new ATOM 446 N LEU A 35 -7.727 -4.432 7.708 1.00 10.00 N ATOM 447 CA LEU A 35 -8.948 -3.639 7.795 1.00 10.00 C ATOM 448 C LEU A 35 -8.717 -2.351 8.549 1.00 10.00 C ATOM 449 O LEU A 35 -9.270 -1.308 8.213 1.00 10.00 O ATOM 450 CB LEU A 35 -10.089 -4.478 8.385 1.00 10.00 C ATOM 451 CG LEU A 35 -10.774 -5.488 7.426 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.707 -4.756 6.484 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.742 -6.230 6.587 1.00 10.00 C ATOM 0 H LEU A 35 -7.745 -5.281 8.272 1.00 10.00 H new ATOM 0 HA LEU A 35 -9.249 -3.349 6.788 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.699 -5.030 9.240 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.851 -3.798 8.765 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.328 -6.200 8.037 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -12.184 -5.472 5.815 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.471 -4.235 7.061 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -11.139 -4.034 5.898 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -10.248 -6.931 5.924 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -9.174 -5.514 5.993 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -9.064 -6.776 7.243 1.00 10.00 H new ATOM 465 N ASP A 36 -7.893 -2.415 9.543 1.00 10.00 N ATOM 466 CA ASP A 36 -7.474 -1.183 10.222 1.00 10.00 C ATOM 467 C ASP A 36 -6.515 -0.385 9.351 1.00 10.00 C ATOM 468 O ASP A 36 -6.580 0.854 9.315 1.00 10.00 O ATOM 469 CB ASP A 36 -6.866 -1.446 11.588 1.00 10.00 C ATOM 470 CG ASP A 36 -7.838 -1.190 12.708 1.00 10.00 C ATOM 471 OD1 ASP A 36 -8.768 -2.008 12.926 1.00 10.00 O ATOM 472 OD2 ASP A 36 -7.673 -0.163 13.422 1.00 10.00 O ATOM 0 H ASP A 36 -7.491 -3.276 9.914 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.376 -0.593 10.386 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.523 -2.480 11.637 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -5.989 -0.813 11.720 1.00 10.00 H new ATOM 477 N ILE A 37 -5.627 -1.093 8.652 1.00 10.00 N ATOM 478 CA ILE A 37 -4.687 -0.490 7.703 1.00 10.00 C ATOM 479 C ILE A 37 -5.421 0.346 6.667 1.00 10.00 C ATOM 480 O ILE A 37 -5.150 1.537 6.545 1.00 10.00 O ATOM 481 CB ILE A 37 -3.812 -1.579 6.994 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.746 -2.124 7.947 1.00 10.00 C ATOM 483 CG2 ILE A 37 -3.158 -1.044 5.713 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.163 -3.444 7.505 1.00 10.00 C ATOM 0 H ILE A 37 -5.538 -2.106 8.728 1.00 10.00 H new ATOM 0 HA ILE A 37 -4.025 0.162 8.273 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.479 -2.392 6.709 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.943 -1.393 8.037 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.183 -2.242 8.939 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.561 -1.831 5.253 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.932 -0.722 5.016 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.516 -0.198 5.958 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.414 -3.771 8.227 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -2.956 -4.189 7.442 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.697 -3.327 6.527 1.00 10.00 H new ATOM 496 N VAL A 38 -6.370 -0.272 5.955 1.00 10.00 N ATOM 497 CA VAL A 38 -7.136 0.414 4.900 1.00 10.00 C ATOM 498 C VAL A 38 -7.770 1.723 5.405 1.00 10.00 C ATOM 499 O VAL A 38 -7.545 2.794 4.827 1.00 10.00 O ATOM 500 CB VAL A 38 -8.211 -0.523 4.194 1.00 10.00 C ATOM 501 CG1 VAL A 38 -9.161 -1.156 5.171 1.00 10.00 C ATOM 502 CG2 VAL A 38 -8.998 0.233 3.134 1.00 10.00 C ATOM 0 H VAL A 38 -6.629 -1.249 6.089 1.00 10.00 H new ATOM 0 HA VAL A 38 -6.409 0.676 4.131 1.00 10.00 H new ATOM 0 HB VAL A 38 -7.642 -1.321 3.717 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.871 -1.784 4.633 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.601 -1.766 5.879 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.701 -0.377 5.710 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -9.723 -0.437 2.672 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -9.521 1.070 3.597 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -8.315 0.609 2.372 1.00 10.00 H new ATOM 512 N GLU A 39 -8.456 1.642 6.528 1.00 10.00 N ATOM 513 CA GLU A 39 -9.133 2.782 7.102 1.00 10.00 C ATOM 514 C GLU A 39 -8.156 3.870 7.578 1.00 10.00 C ATOM 515 O GLU A 39 -8.369 5.061 7.332 1.00 10.00 O ATOM 516 CB GLU A 39 -10.102 2.324 8.200 1.00 10.00 C ATOM 517 CG GLU A 39 -11.290 1.553 7.628 1.00 10.00 C ATOM 518 CD GLU A 39 -12.312 1.126 8.654 1.00 10.00 C ATOM 519 OE1 GLU A 39 -12.920 2.001 9.306 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.551 -0.093 8.805 1.00 10.00 O ATOM 0 H GLU A 39 -8.558 0.782 7.067 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.723 3.257 6.318 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.570 1.694 8.913 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.464 3.193 8.750 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.783 2.173 6.879 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.918 0.667 7.114 1.00 10.00 H new ATOM 527 N THR A 40 -7.061 3.457 8.173 1.00 10.00 N ATOM 528 CA THR A 40 -6.077 4.393 8.697 1.00 10.00 C ATOM 529 C THR A 40 -5.229 5.027 7.568 1.00 10.00 C ATOM 530 O THR A 40 -4.884 6.216 7.625 1.00 10.00 O ATOM 531 CB THR A 40 -5.182 3.679 9.737 1.00 10.00 C ATOM 532 OG1 THR A 40 -6.036 3.055 10.724 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.234 4.648 10.432 1.00 10.00 C ATOM 0 H THR A 40 -6.823 2.475 8.310 1.00 10.00 H new ATOM 0 HA THR A 40 -6.607 5.210 9.187 1.00 10.00 H new ATOM 0 HB THR A 40 -4.574 2.938 9.219 1.00 10.00 H new ATOM 0 HG1 THR A 40 -6.279 2.154 10.424 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.624 4.105 11.154 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.587 5.118 9.691 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.812 5.415 10.948 1.00 10.00 H new ATOM 541 N SER A 41 -4.947 4.248 6.534 1.00 10.00 N ATOM 542 CA SER A 41 -4.145 4.697 5.416 1.00 10.00 C ATOM 543 C SER A 41 -4.822 5.872 4.704 1.00 10.00 C ATOM 544 O SER A 41 -4.175 6.863 4.413 1.00 10.00 O ATOM 545 CB SER A 41 -3.885 3.530 4.446 1.00 10.00 C ATOM 546 OG SER A 41 -2.960 3.876 3.428 1.00 10.00 O ATOM 0 H SER A 41 -5.271 3.284 6.451 1.00 10.00 H new ATOM 0 HA SER A 41 -3.183 5.047 5.791 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.506 2.674 5.004 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.826 3.222 3.990 1.00 10.00 H new ATOM 0 HG SER A 41 -3.307 3.586 2.559 1.00 10.00 H new ATOM 552 N GLN A 42 -6.127 5.769 4.473 1.00 10.00 N ATOM 553 CA GLN A 42 -6.897 6.842 3.813 1.00 10.00 C ATOM 554 C GLN A 42 -6.806 8.111 4.588 1.00 10.00 C ATOM 555 O GLN A 42 -6.591 9.168 4.038 1.00 10.00 O ATOM 556 CB GLN A 42 -8.349 6.446 3.734 1.00 10.00 C ATOM 557 CG GLN A 42 -8.549 5.258 2.879 1.00 10.00 C ATOM 558 CD GLN A 42 -9.798 4.499 3.148 1.00 10.00 C ATOM 559 OE1 GLN A 42 -10.382 3.884 2.250 1.00 10.00 O ATOM 560 NE2 GLN A 42 -10.211 4.490 4.368 1.00 10.00 N ATOM 0 H GLN A 42 -6.684 4.954 4.731 1.00 10.00 H new ATOM 0 HA GLN A 42 -6.482 6.992 2.816 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.724 6.240 4.736 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -8.932 7.279 3.341 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.551 5.575 1.836 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -7.699 4.588 3.007 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.702 5.010 5.083 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.047 3.963 4.620 1.00 10.00 H new ATOM 569 N ALA A 43 -6.926 7.973 5.868 1.00 10.00 N ATOM 570 CA ALA A 43 -6.955 9.074 6.776 1.00 10.00 C ATOM 571 C ALA A 43 -5.630 9.851 6.785 1.00 10.00 C ATOM 572 O ALA A 43 -5.630 11.077 6.692 1.00 10.00 O ATOM 573 CB ALA A 43 -7.347 8.560 8.141 1.00 10.00 C ATOM 0 H ALA A 43 -7.009 7.065 6.325 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.701 9.799 6.449 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.374 9.389 8.848 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.332 8.097 8.086 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -6.618 7.822 8.475 1.00 10.00 H new ATOM 579 N HIS A 44 -4.507 9.143 6.835 1.00 10.00 N ATOM 580 CA HIS A 44 -3.201 9.811 6.818 1.00 10.00 C ATOM 581 C HIS A 44 -2.882 10.288 5.406 1.00 10.00 C ATOM 582 O HIS A 44 -2.296 11.342 5.226 1.00 10.00 O ATOM 583 CB HIS A 44 -2.078 8.877 7.300 1.00 10.00 C ATOM 584 CG HIS A 44 -0.710 9.538 7.532 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.392 8.827 7.909 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.278 10.825 7.411 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.428 9.615 8.001 1.00 10.00 C ATOM 588 NE2 HIS A 44 1.059 10.827 7.707 1.00 10.00 N ATOM 0 H HIS A 44 -4.468 8.125 6.887 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.257 10.660 7.499 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.396 8.408 8.231 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -1.955 8.079 6.567 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.876 11.680 7.134 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.427 9.311 8.276 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.667 11.646 7.698 1.00 10.00 H new ATOM 597 N ASN A 45 -3.270 9.527 4.418 1.00 10.00 N ATOM 598 CA ASN A 45 -2.961 9.880 3.042 1.00 10.00 C ATOM 599 C ASN A 45 -3.767 11.059 2.570 1.00 10.00 C ATOM 600 O ASN A 45 -3.248 11.906 1.895 1.00 10.00 O ATOM 601 CB ASN A 45 -3.049 8.686 2.087 1.00 10.00 C ATOM 602 CG ASN A 45 -1.925 7.678 2.321 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.396 7.550 3.430 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.548 6.959 1.295 1.00 10.00 N ATOM 0 H ASN A 45 -3.798 8.662 4.530 1.00 10.00 H new ATOM 0 HA ASN A 45 -1.916 10.189 3.030 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.012 8.191 2.214 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.007 9.042 1.058 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -0.801 6.273 1.400 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.002 7.085 0.390 1.00 10.00 H new ATOM 611 N ALA A 46 -5.023 11.139 2.980 1.00 10.00 N ATOM 612 CA ALA A 46 -5.859 12.303 2.674 1.00 10.00 C ATOM 613 C ALA A 46 -5.253 13.535 3.331 1.00 10.00 C ATOM 614 O ALA A 46 -5.245 14.637 2.766 1.00 10.00 O ATOM 615 CB ALA A 46 -7.267 12.098 3.202 1.00 10.00 C ATOM 0 H ALA A 46 -5.491 10.415 3.526 1.00 10.00 H new ATOM 0 HA ALA A 46 -5.904 12.434 1.593 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -7.875 12.972 2.966 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.705 11.215 2.737 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.234 11.960 4.283 1.00 10.00 H new ATOM 621 N ARG A 47 -4.734 13.316 4.518 1.00 10.00 N ATOM 622 CA ARG A 47 -4.093 14.342 5.306 1.00 10.00 C ATOM 623 C ARG A 47 -2.834 14.821 4.624 1.00 10.00 C ATOM 624 O ARG A 47 -2.672 16.006 4.353 1.00 10.00 O ATOM 625 CB ARG A 47 -3.740 13.772 6.662 1.00 10.00 C ATOM 626 CG ARG A 47 -3.209 14.758 7.683 1.00 10.00 C ATOM 627 CD ARG A 47 -2.902 14.040 8.987 1.00 10.00 C ATOM 628 NE ARG A 47 -2.394 14.936 10.030 1.00 10.00 N ATOM 629 CZ ARG A 47 -2.088 14.553 11.287 1.00 10.00 C ATOM 630 NH1 ARG A 47 -2.248 13.284 11.663 1.00 10.00 N ATOM 631 NH2 ARG A 47 -1.628 15.443 12.164 1.00 10.00 N ATOM 0 H ARG A 47 -4.746 12.402 4.971 1.00 10.00 H new ATOM 0 HA ARG A 47 -4.775 15.185 5.417 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -4.629 13.295 7.076 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -2.995 12.989 6.521 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -2.308 15.239 7.302 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -3.942 15.546 7.856 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.806 13.549 9.347 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.167 13.257 8.800 1.00 10.00 H new ATOM 0 HE ARG A 47 -2.263 15.918 9.788 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -2.604 12.596 10.999 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -2.015 13.001 12.615 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.506 16.417 11.886 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.397 15.151 13.114 1.00 10.00 H new ATOM 645 N ALA A 48 -1.960 13.893 4.311 1.00 10.00 N ATOM 646 CA ALA A 48 -0.703 14.247 3.725 1.00 10.00 C ATOM 647 C ALA A 48 -0.811 14.548 2.218 1.00 10.00 C ATOM 648 O ALA A 48 0.179 14.899 1.582 1.00 10.00 O ATOM 649 CB ALA A 48 0.350 13.209 4.029 1.00 10.00 C ATOM 0 H ALA A 48 -2.102 12.893 4.454 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.386 15.181 4.189 1.00 10.00 H new ATOM 0 HB1 ALA A 48 1.294 13.504 3.571 1.00 10.00 H new ATOM 0 HB2 ALA A 48 0.480 13.127 5.108 1.00 10.00 H new ATOM 0 HB3 ALA A 48 0.038 12.245 3.627 1.00 10.00 H new ATOM 655 N GLN A 49 -2.041 14.415 1.670 1.00 10.00 N ATOM 656 CA GLN A 49 -2.377 14.728 0.253 1.00 10.00 C ATOM 657 C GLN A 49 -1.767 13.713 -0.691 1.00 10.00 C ATOM 658 O GLN A 49 -1.506 13.978 -1.886 1.00 10.00 O ATOM 659 CB GLN A 49 -1.980 16.153 -0.083 1.00 10.00 C ATOM 660 CG GLN A 49 -2.655 17.132 0.790 1.00 10.00 C ATOM 661 CD GLN A 49 -1.680 18.091 1.416 1.00 10.00 C ATOM 662 OE1 GLN A 49 -1.369 19.140 0.850 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.229 17.765 2.598 1.00 10.00 N ATOM 0 H GLN A 49 -2.843 14.082 2.205 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.457 14.656 0.124 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.900 16.262 0.016 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.227 16.363 -1.124 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.391 17.689 0.210 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.200 16.605 1.573 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -1.514 16.885 3.028 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.592 18.390 3.091 1.00 10.00 H new ATOM 672 N LEU A 50 -1.588 12.556 -0.145 1.00 10.00 N ATOM 673 CA LEU A 50 -1.099 11.397 -0.829 1.00 10.00 C ATOM 674 C LEU A 50 -2.206 10.661 -1.538 1.00 10.00 C ATOM 675 O LEU A 50 -3.251 10.333 -0.948 1.00 10.00 O ATOM 676 CB LEU A 50 -0.382 10.458 0.127 1.00 10.00 C ATOM 677 CG LEU A 50 1.107 10.689 0.291 1.00 10.00 C ATOM 678 CD1 LEU A 50 1.424 12.076 0.768 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.721 9.656 1.196 1.00 10.00 C ATOM 0 H LEU A 50 -1.788 12.381 0.840 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.388 11.746 -1.577 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -0.853 10.540 1.107 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.536 9.435 -0.216 1.00 10.00 H new ATOM 0 HG LEU A 50 1.550 10.585 -0.699 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.504 12.188 0.869 1.00 10.00 H new ATOM 0 HD12 LEU A 50 1.049 12.803 0.048 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.950 12.246 1.735 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.790 9.848 1.295 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.251 9.707 2.178 1.00 10.00 H new ATOM 0 HD23 LEU A 50 1.568 8.664 0.772 1.00 10.00 H new ATOM 691 N THR A 51 -1.985 10.412 -2.787 1.00 10.00 N ATOM 692 CA THR A 51 -2.904 9.713 -3.606 1.00 10.00 C ATOM 693 C THR A 51 -2.310 8.355 -3.949 1.00 10.00 C ATOM 694 O THR A 51 -1.111 8.207 -3.963 1.00 10.00 O ATOM 695 CB THR A 51 -3.285 10.590 -4.802 1.00 10.00 C ATOM 696 OG1 THR A 51 -2.131 10.956 -5.554 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.873 11.855 -4.236 1.00 10.00 C ATOM 0 H THR A 51 -1.136 10.699 -3.273 1.00 10.00 H new ATOM 0 HA THR A 51 -3.845 9.506 -3.097 1.00 10.00 H new ATOM 0 HB THR A 51 -3.974 10.049 -5.451 1.00 10.00 H new ATOM 0 HG1 THR A 51 -2.242 10.668 -6.484 1.00 10.00 H new ATOM 0 HG21 THR A 51 -4.163 12.518 -5.051 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.750 11.612 -3.637 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.132 12.352 -3.610 1.00 10.00 H new ATOM 705 N GLY A 52 -3.124 7.363 -4.135 1.00 10.00 N ATOM 706 CA GLY A 52 -2.598 6.031 -4.109 1.00 10.00 C ATOM 707 C GLY A 52 -3.523 4.977 -4.601 1.00 10.00 C ATOM 708 O GLY A 52 -4.646 5.247 -5.026 1.00 10.00 O ATOM 0 H GLY A 52 -4.127 7.442 -4.302 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.689 6.004 -4.710 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.310 5.791 -3.085 1.00 10.00 H new ATOM 712 N ALA A 53 -3.025 3.796 -4.580 1.00 10.00 N ATOM 713 CA ALA A 53 -3.764 2.587 -4.876 1.00 10.00 C ATOM 714 C ALA A 53 -2.901 1.408 -4.497 1.00 10.00 C ATOM 715 O ALA A 53 -1.713 1.591 -4.199 1.00 10.00 O ATOM 716 CB ALA A 53 -4.211 2.506 -6.335 1.00 10.00 C ATOM 0 H ALA A 53 -2.048 3.619 -4.347 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.685 2.586 -4.294 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.760 1.578 -6.496 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.856 3.354 -6.566 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -3.336 2.528 -6.985 1.00 10.00 H new ATOM 722 N LEU A 54 -3.476 0.236 -4.442 1.00 10.00 N ATOM 723 CA LEU A 54 -2.714 -0.947 -4.175 1.00 10.00 C ATOM 724 C LEU A 54 -3.377 -2.139 -4.795 1.00 10.00 C ATOM 725 O LEU A 54 -4.606 -2.164 -4.956 1.00 10.00 O ATOM 726 CB LEU A 54 -2.431 -1.143 -2.650 1.00 10.00 C ATOM 727 CG LEU A 54 -3.608 -1.397 -1.675 1.00 10.00 C ATOM 728 CD1 LEU A 54 -4.148 -2.826 -1.778 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.166 -1.108 -0.252 1.00 10.00 C ATOM 0 H LEU A 54 -4.474 0.079 -4.580 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.734 -0.830 -4.638 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.741 -1.981 -2.552 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.905 -0.255 -2.300 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.419 -0.725 -1.955 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.971 -2.955 -1.076 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.504 -3.008 -2.792 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.354 -3.533 -1.540 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -3.997 -1.288 0.431 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.333 -1.761 0.010 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -2.850 -0.068 -0.173 1.00 10.00 H new ATOM 741 N PHE A 55 -2.578 -3.097 -5.142 1.00 10.00 N ATOM 742 CA PHE A 55 -3.028 -4.315 -5.727 1.00 10.00 C ATOM 743 C PHE A 55 -2.448 -5.466 -4.934 1.00 10.00 C ATOM 744 O PHE A 55 -1.227 -5.634 -4.850 1.00 10.00 O ATOM 745 CB PHE A 55 -2.624 -4.403 -7.207 1.00 10.00 C ATOM 746 CG PHE A 55 -3.175 -3.277 -8.049 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.490 -3.298 -8.484 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.378 -2.195 -8.394 1.00 10.00 C ATOM 749 CE1 PHE A 55 -5.000 -2.262 -9.244 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.881 -1.157 -9.157 1.00 10.00 C ATOM 751 CZ PHE A 55 -4.194 -1.190 -9.582 1.00 10.00 C ATOM 0 H PHE A 55 -1.566 -3.050 -5.022 1.00 10.00 H new ATOM 0 HA PHE A 55 -4.117 -4.357 -5.695 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.536 -4.402 -7.279 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.969 -5.353 -7.614 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -5.124 -4.133 -8.226 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.351 -2.163 -8.062 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -6.028 -2.290 -9.574 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -2.248 -0.322 -9.420 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.591 -0.381 -10.177 1.00 10.00 H new ATOM 761 N TYR A 56 -3.306 -6.202 -4.313 1.00 10.00 N ATOM 762 CA TYR A 56 -2.920 -7.329 -3.517 1.00 10.00 C ATOM 763 C TYR A 56 -3.281 -8.563 -4.321 1.00 10.00 C ATOM 764 O TYR A 56 -4.462 -8.837 -4.558 1.00 10.00 O ATOM 765 CB TYR A 56 -3.670 -7.282 -2.154 1.00 10.00 C ATOM 766 CG TYR A 56 -3.314 -8.357 -1.116 1.00 10.00 C ATOM 767 CD1 TYR A 56 -3.294 -9.714 -1.425 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.029 -7.992 0.188 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.996 -10.661 -0.475 1.00 10.00 C ATOM 770 CE2 TYR A 56 -2.727 -8.938 1.150 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.715 -10.274 0.809 1.00 10.00 C ATOM 772 OH TYR A 56 -2.417 -11.223 1.759 1.00 10.00 O ATOM 0 H TYR A 56 -4.313 -6.039 -4.341 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.854 -7.332 -3.291 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -3.490 -6.306 -1.704 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.739 -7.348 -2.355 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -3.518 -10.029 -2.433 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -3.043 -6.947 0.460 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -2.983 -11.708 -0.740 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -2.502 -8.633 2.161 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.241 -10.783 2.617 1.00 10.00 H new ATOM 782 N SER A 57 -2.296 -9.265 -4.767 1.00 10.00 N ATOM 783 CA SER A 57 -2.523 -10.413 -5.579 1.00 10.00 C ATOM 784 C SER A 57 -2.060 -11.683 -4.878 1.00 10.00 C ATOM 785 O SER A 57 -0.883 -12.058 -4.962 1.00 10.00 O ATOM 786 CB SER A 57 -1.839 -10.227 -6.932 1.00 10.00 C ATOM 787 OG SER A 57 -2.294 -9.028 -7.550 1.00 10.00 O ATOM 0 H SER A 57 -1.314 -9.061 -4.581 1.00 10.00 H new ATOM 0 HA SER A 57 -3.594 -10.523 -5.749 1.00 10.00 H new ATOM 0 HB2 SER A 57 -0.758 -10.189 -6.799 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.051 -11.080 -7.576 1.00 10.00 H new ATOM 0 HG SER A 57 -1.849 -8.917 -8.416 1.00 10.00 H new ATOM 793 N GLN A 58 -2.992 -12.287 -4.129 1.00 10.00 N ATOM 794 CA GLN A 58 -2.820 -13.549 -3.390 1.00 10.00 C ATOM 795 C GLN A 58 -1.775 -13.457 -2.268 1.00 10.00 C ATOM 796 O GLN A 58 -2.106 -13.571 -1.087 1.00 10.00 O ATOM 797 CB GLN A 58 -2.540 -14.701 -4.355 1.00 10.00 C ATOM 798 CG GLN A 58 -2.472 -16.080 -3.703 1.00 10.00 C ATOM 799 CD GLN A 58 -2.311 -17.224 -4.701 1.00 10.00 C ATOM 800 OE1 GLN A 58 -1.681 -18.233 -4.394 1.00 10.00 O ATOM 801 NE2 GLN A 58 -2.909 -17.116 -5.869 1.00 10.00 N ATOM 0 H GLN A 58 -3.927 -11.895 -4.015 1.00 10.00 H new ATOM 0 HA GLN A 58 -3.762 -13.755 -2.882 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -3.317 -14.714 -5.119 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -1.596 -14.508 -4.864 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -1.637 -16.100 -3.003 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -3.379 -16.242 -3.121 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -3.426 -16.268 -6.101 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -2.855 -17.880 -6.542 1.00 10.00 H new ATOM 810 N GLY A 59 -0.545 -13.261 -2.629 1.00 10.00 N ATOM 811 CA GLY A 59 0.499 -13.125 -1.654 1.00 10.00 C ATOM 812 C GLY A 59 1.357 -11.904 -1.895 1.00 10.00 C ATOM 813 O GLY A 59 2.004 -11.405 -0.980 1.00 10.00 O ATOM 0 H GLY A 59 -0.235 -13.191 -3.598 1.00 10.00 H new ATOM 0 HA2 GLY A 59 0.058 -13.065 -0.659 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.127 -14.016 -1.671 1.00 10.00 H new ATOM 817 N VAL A 60 1.352 -11.396 -3.115 1.00 10.00 N ATOM 818 CA VAL A 60 2.168 -10.257 -3.425 1.00 10.00 C ATOM 819 C VAL A 60 1.380 -8.984 -3.210 1.00 10.00 C ATOM 820 O VAL A 60 0.202 -8.876 -3.581 1.00 10.00 O ATOM 821 CB VAL A 60 2.808 -10.311 -4.850 1.00 10.00 C ATOM 822 CG1 VAL A 60 3.605 -11.594 -5.024 1.00 10.00 C ATOM 823 CG2 VAL A 60 1.778 -10.168 -5.964 1.00 10.00 C ATOM 0 H VAL A 60 0.797 -11.755 -3.892 1.00 10.00 H new ATOM 0 HA VAL A 60 3.013 -10.274 -2.737 1.00 10.00 H new ATOM 0 HB VAL A 60 3.479 -9.456 -4.929 1.00 10.00 H new ATOM 0 HG11 VAL A 60 4.044 -11.617 -6.021 1.00 10.00 H new ATOM 0 HG12 VAL A 60 4.398 -11.634 -4.277 1.00 10.00 H new ATOM 0 HG13 VAL A 60 2.945 -12.452 -4.899 1.00 10.00 H new ATOM 0 HG21 VAL A 60 2.279 -10.213 -6.931 1.00 10.00 H new ATOM 0 HG22 VAL A 60 1.052 -10.978 -5.894 1.00 10.00 H new ATOM 0 HG23 VAL A 60 1.265 -9.211 -5.865 1.00 10.00 H new ATOM 833 N PHE A 61 2.001 -8.070 -2.567 1.00 10.00 N ATOM 834 CA PHE A 61 1.407 -6.822 -2.199 1.00 10.00 C ATOM 835 C PHE A 61 2.066 -5.704 -3.008 1.00 10.00 C ATOM 836 O PHE A 61 3.233 -5.416 -2.778 1.00 10.00 O ATOM 837 CB PHE A 61 1.814 -6.609 -0.770 1.00 10.00 C ATOM 838 CG PHE A 61 0.803 -6.244 0.240 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.361 -5.560 -0.065 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.061 -6.588 1.545 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.243 -5.236 0.945 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.215 -6.267 2.547 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.940 -5.591 2.257 1.00 10.00 C ATOM 0 H PHE A 61 2.971 -8.163 -2.267 1.00 10.00 H new ATOM 0 HA PHE A 61 0.329 -6.822 -2.359 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.295 -7.526 -0.430 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.575 -5.829 -0.763 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.577 -5.282 -1.086 1.00 10.00 H new ATOM 0 HD2 PHE A 61 1.966 -7.130 1.776 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -2.160 -4.712 0.720 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.447 -6.540 3.566 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.622 -5.331 3.053 1.00 10.00 H new ATOM 853 N PHE A 62 1.380 -5.112 -3.938 1.00 10.00 N ATOM 854 CA PHE A 62 1.938 -3.964 -4.635 1.00 10.00 C ATOM 855 C PHE A 62 1.196 -2.742 -4.177 1.00 10.00 C ATOM 856 O PHE A 62 -0.012 -2.649 -4.344 1.00 10.00 O ATOM 857 CB PHE A 62 1.867 -4.112 -6.160 1.00 10.00 C ATOM 858 CG PHE A 62 2.482 -2.954 -6.916 1.00 10.00 C ATOM 859 CD1 PHE A 62 3.859 -2.779 -6.944 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.684 -2.044 -7.596 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.426 -1.724 -7.635 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.245 -0.986 -8.291 1.00 10.00 C ATOM 863 CZ PHE A 62 3.618 -0.826 -8.309 1.00 10.00 C ATOM 0 H PHE A 62 0.445 -5.390 -4.238 1.00 10.00 H new ATOM 0 HA PHE A 62 2.998 -3.882 -4.394 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.373 -5.033 -6.450 1.00 10.00 H new ATOM 0 HB3 PHE A 62 0.823 -4.215 -6.457 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.496 -3.476 -6.419 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.611 -2.163 -7.583 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.499 -1.601 -7.648 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.612 -0.288 -8.818 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.059 -0.001 -8.849 1.00 10.00 H new ATOM 873 N GLN A 63 1.901 -1.829 -3.596 1.00 10.00 N ATOM 874 CA GLN A 63 1.299 -0.677 -2.982 1.00 10.00 C ATOM 875 C GLN A 63 2.151 0.511 -3.337 1.00 10.00 C ATOM 876 O GLN A 63 3.377 0.445 -3.205 1.00 10.00 O ATOM 877 CB GLN A 63 1.339 -0.930 -1.466 1.00 10.00 C ATOM 878 CG GLN A 63 0.428 -0.105 -0.540 1.00 10.00 C ATOM 879 CD GLN A 63 0.649 1.400 -0.493 1.00 10.00 C ATOM 880 OE1 GLN A 63 1.725 1.903 -0.727 1.00 10.00 O ATOM 881 NE2 GLN A 63 -0.351 2.099 -0.059 1.00 10.00 N ATOM 0 H GLN A 63 2.919 -1.855 -3.530 1.00 10.00 H new ATOM 0 HA GLN A 63 0.275 -0.498 -3.309 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.105 -1.982 -1.303 1.00 10.00 H new ATOM 0 HB3 GLN A 63 2.366 -0.777 -1.135 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.605 -0.284 -0.839 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.539 -0.493 0.473 1.00 10.00 H new ATOM 0 HE21 GLN A 63 -1.246 1.647 0.129 1.00 10.00 H new ATOM 0 HE22 GLN A 63 -0.244 3.102 0.095 1.00 10.00 H new ATOM 890 N TRP A 64 1.558 1.565 -3.822 1.00 10.00 N ATOM 891 CA TRP A 64 2.333 2.730 -4.069 1.00 10.00 C ATOM 892 C TRP A 64 1.532 3.974 -3.735 1.00 10.00 C ATOM 893 O TRP A 64 0.288 3.922 -3.632 1.00 10.00 O ATOM 894 CB TRP A 64 2.896 2.768 -5.503 1.00 10.00 C ATOM 895 CG TRP A 64 2.063 3.353 -6.579 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.380 4.465 -7.281 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.817 2.899 -7.088 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.436 4.727 -8.203 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.452 3.789 -8.110 1.00 10.00 C ATOM 900 CE3 TRP A 64 -0.025 1.837 -6.789 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.712 3.645 -8.834 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.190 1.701 -7.505 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.524 2.600 -8.516 1.00 10.00 C ATOM 0 H TRP A 64 0.566 1.635 -4.047 1.00 10.00 H new ATOM 0 HA TRP A 64 3.201 2.699 -3.411 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.835 3.320 -5.475 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.137 1.745 -5.791 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.268 5.060 -7.123 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.454 5.503 -8.865 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.230 1.133 -6.011 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.970 4.335 -9.624 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.858 0.883 -7.280 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.448 2.465 -9.059 1.00 10.00 H new ATOM 914 N LEU A 65 2.216 5.068 -3.573 1.00 10.00 N ATOM 915 CA LEU A 65 1.595 6.310 -3.198 1.00 10.00 C ATOM 916 C LEU A 65 2.292 7.508 -3.802 1.00 10.00 C ATOM 917 O LEU A 65 3.520 7.529 -3.937 1.00 10.00 O ATOM 918 CB LEU A 65 1.476 6.401 -1.666 1.00 10.00 C ATOM 919 CG LEU A 65 2.565 5.677 -0.861 1.00 10.00 C ATOM 920 CD1 LEU A 65 3.832 6.484 -0.746 1.00 10.00 C ATOM 921 CD2 LEU A 65 2.053 5.228 0.484 1.00 10.00 C ATOM 0 H LEU A 65 3.227 5.127 -3.697 1.00 10.00 H new ATOM 0 HA LEU A 65 0.587 6.325 -3.612 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.482 7.454 -1.383 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.507 5.998 -1.372 1.00 10.00 H new ATOM 0 HG LEU A 65 2.828 4.780 -1.423 1.00 10.00 H new ATOM 0 HD11 LEU A 65 4.568 5.925 -0.167 1.00 10.00 H new ATOM 0 HD12 LEU A 65 4.228 6.683 -1.742 1.00 10.00 H new ATOM 0 HD13 LEU A 65 3.618 7.428 -0.245 1.00 10.00 H new ATOM 0 HD21 LEU A 65 2.851 4.720 1.026 1.00 10.00 H new ATOM 0 HD22 LEU A 65 1.722 6.095 1.055 1.00 10.00 H new ATOM 0 HD23 LEU A 65 1.216 4.544 0.345 1.00 10.00 H new ATOM 933 N GLU A 66 1.495 8.454 -4.213 1.00 10.00 N ATOM 934 CA GLU A 66 1.929 9.691 -4.799 1.00 10.00 C ATOM 935 C GLU A 66 1.834 10.751 -3.717 1.00 10.00 C ATOM 936 O GLU A 66 0.769 10.925 -3.137 1.00 10.00 O ATOM 937 CB GLU A 66 0.934 10.128 -5.875 1.00 10.00 C ATOM 938 CG GLU A 66 0.534 9.134 -6.957 1.00 10.00 C ATOM 939 CD GLU A 66 -0.552 9.741 -7.856 1.00 10.00 C ATOM 940 OE1 GLU A 66 -0.227 10.578 -8.718 1.00 10.00 O ATOM 941 OE2 GLU A 66 -1.765 9.425 -7.682 1.00 10.00 O ATOM 0 H GLU A 66 0.480 8.380 -4.146 1.00 10.00 H new ATOM 0 HA GLU A 66 2.931 9.570 -5.211 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.023 10.449 -5.370 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.350 11.005 -6.371 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.405 8.866 -7.556 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.167 8.215 -6.500 1.00 10.00 H new ATOM 948 N GLY A 67 2.888 11.446 -3.444 1.00 10.00 N ATOM 949 CA GLY A 67 2.804 12.469 -2.451 1.00 10.00 C ATOM 950 C GLY A 67 4.009 13.363 -2.471 1.00 10.00 C ATOM 951 O GLY A 67 4.917 13.140 -3.248 1.00 10.00 O ATOM 0 H GLY A 67 3.801 11.330 -3.883 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.906 13.065 -2.617 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.706 12.013 -1.466 1.00 10.00 H new ATOM 955 N HIS A 68 4.003 14.394 -1.661 1.00 10.00 N ATOM 956 CA HIS A 68 5.180 15.248 -1.501 1.00 10.00 C ATOM 957 C HIS A 68 6.264 14.442 -0.742 1.00 10.00 C ATOM 958 O HIS A 68 5.964 13.915 0.299 1.00 10.00 O ATOM 959 CB HIS A 68 4.790 16.534 -0.733 1.00 10.00 C ATOM 960 CG HIS A 68 5.926 17.360 -0.293 1.00 10.00 C ATOM 961 ND1 HIS A 68 6.507 17.266 0.952 1.00 10.00 N ATOM 962 CD2 HIS A 68 6.597 18.242 -0.948 1.00 10.00 C ATOM 963 CE1 HIS A 68 7.529 18.072 1.008 1.00 10.00 C ATOM 964 NE2 HIS A 68 7.610 18.696 -0.147 1.00 10.00 N ATOM 0 H HIS A 68 3.200 14.671 -1.097 1.00 10.00 H new ATOM 0 HA HIS A 68 5.575 15.550 -2.471 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.145 17.139 -1.370 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.203 16.254 0.141 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.395 18.568 -1.958 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.191 18.204 1.851 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.306 19.396 -0.402 1.00 10.00 H new ATOM 973 N PRO A 69 7.544 14.378 -1.253 1.00 10.00 N ATOM 974 CA PRO A 69 8.653 13.504 -0.748 1.00 10.00 C ATOM 975 C PRO A 69 8.684 13.234 0.751 1.00 10.00 C ATOM 976 O PRO A 69 8.826 12.093 1.173 1.00 10.00 O ATOM 977 CB PRO A 69 9.932 14.244 -1.186 1.00 10.00 C ATOM 978 CG PRO A 69 9.464 15.450 -1.941 1.00 10.00 C ATOM 979 CD PRO A 69 8.051 15.166 -2.361 1.00 10.00 C ATOM 0 HA PRO A 69 8.528 12.502 -1.159 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.533 14.531 -0.323 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.557 13.608 -1.813 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.511 16.342 -1.316 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.097 15.635 -2.809 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.478 16.082 -2.502 1.00 10.00 H new ATOM 0 HD3 PRO A 69 8.010 14.616 -3.301 1.00 10.00 H new ATOM 987 N ALA A 70 8.530 14.251 1.548 1.00 10.00 N ATOM 988 CA ALA A 70 8.634 14.062 2.982 1.00 10.00 C ATOM 989 C ALA A 70 7.412 13.451 3.588 1.00 10.00 C ATOM 990 O ALA A 70 7.500 12.758 4.592 1.00 10.00 O ATOM 991 CB ALA A 70 9.033 15.307 3.686 1.00 10.00 C ATOM 0 H ALA A 70 8.335 15.206 1.246 1.00 10.00 H new ATOM 0 HA ALA A 70 9.436 13.338 3.123 1.00 10.00 H new ATOM 0 HB1 ALA A 70 9.097 15.115 4.757 1.00 10.00 H new ATOM 0 HB2 ALA A 70 10.004 15.638 3.318 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.291 16.084 3.501 1.00 10.00 H new ATOM 997 N ALA A 71 6.305 13.669 2.977 1.00 10.00 N ATOM 998 CA ALA A 71 5.081 13.071 3.417 1.00 10.00 C ATOM 999 C ALA A 71 5.187 11.604 3.157 1.00 10.00 C ATOM 1000 O ALA A 71 4.823 10.763 3.978 1.00 10.00 O ATOM 1001 CB ALA A 71 3.973 13.594 2.596 1.00 10.00 C ATOM 0 H ALA A 71 6.213 14.267 2.156 1.00 10.00 H new ATOM 0 HA ALA A 71 4.904 13.284 4.471 1.00 10.00 H new ATOM 0 HB1 ALA A 71 3.035 13.145 2.922 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.916 14.677 2.709 1.00 10.00 H new ATOM 0 HB3 ALA A 71 4.148 13.347 1.549 1.00 10.00 H new ATOM 1007 N VAL A 72 5.736 11.324 1.991 1.00 10.00 N ATOM 1008 CA VAL A 72 5.962 9.991 1.518 1.00 10.00 C ATOM 1009 C VAL A 72 6.908 9.307 2.463 1.00 10.00 C ATOM 1010 O VAL A 72 6.710 8.178 2.812 1.00 10.00 O ATOM 1011 CB VAL A 72 6.622 9.984 0.129 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.456 8.685 -0.504 1.00 10.00 C ATOM 1013 CG2 VAL A 72 6.083 11.029 -0.763 1.00 10.00 C ATOM 0 H VAL A 72 6.042 12.044 1.336 1.00 10.00 H new ATOM 0 HA VAL A 72 4.997 9.487 1.458 1.00 10.00 H new ATOM 0 HB VAL A 72 7.680 10.194 0.288 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.928 8.696 -1.486 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.921 7.917 0.114 1.00 10.00 H new ATOM 0 HG13 VAL A 72 5.394 8.467 -0.615 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.585 10.977 -1.729 1.00 10.00 H new ATOM 0 HG22 VAL A 72 5.013 10.873 -0.901 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.252 12.010 -0.318 1.00 10.00 H new ATOM 1023 N ALA A 73 7.935 10.020 2.877 1.00 10.00 N ATOM 1024 CA ALA A 73 8.919 9.478 3.780 1.00 10.00 C ATOM 1025 C ALA A 73 8.385 9.298 5.185 1.00 10.00 C ATOM 1026 O ALA A 73 8.767 8.367 5.864 1.00 10.00 O ATOM 1027 CB ALA A 73 10.142 10.295 3.812 1.00 10.00 C ATOM 0 H ALA A 73 8.107 10.986 2.597 1.00 10.00 H new ATOM 0 HA ALA A 73 9.167 8.492 3.387 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.858 9.852 4.505 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.579 10.335 2.814 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.896 11.305 4.141 1.00 10.00 H new ATOM 1033 N GLU A 74 7.531 10.199 5.627 1.00 10.00 N ATOM 1034 CA GLU A 74 6.840 10.049 6.915 1.00 10.00 C ATOM 1035 C GLU A 74 6.037 8.760 6.863 1.00 10.00 C ATOM 1036 O GLU A 74 5.968 7.990 7.835 1.00 10.00 O ATOM 1037 CB GLU A 74 5.922 11.249 7.173 1.00 10.00 C ATOM 1038 CG GLU A 74 5.201 11.219 8.511 1.00 10.00 C ATOM 1039 CD GLU A 74 4.300 12.413 8.708 1.00 10.00 C ATOM 1040 OE1 GLU A 74 4.800 13.500 9.027 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.068 12.287 8.546 1.00 10.00 O ATOM 0 H GLU A 74 7.291 11.050 5.119 1.00 10.00 H new ATOM 0 HA GLU A 74 7.562 10.009 7.731 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.515 12.162 7.115 1.00 10.00 H new ATOM 0 HB3 GLU A 74 5.180 11.300 6.376 1.00 10.00 H new ATOM 0 HG2 GLU A 74 4.610 10.306 8.581 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.936 11.185 9.315 1.00 10.00 H new ATOM 1048 N VAL A 75 5.461 8.531 5.714 1.00 10.00 N ATOM 1049 CA VAL A 75 4.776 7.323 5.417 1.00 10.00 C ATOM 1050 C VAL A 75 5.771 6.143 5.362 1.00 10.00 C ATOM 1051 O VAL A 75 5.528 5.116 5.977 1.00 10.00 O ATOM 1052 CB VAL A 75 3.960 7.481 4.113 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.530 6.158 3.557 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.738 8.342 4.380 1.00 10.00 C ATOM 0 H VAL A 75 5.461 9.202 4.946 1.00 10.00 H new ATOM 0 HA VAL A 75 4.065 7.099 6.212 1.00 10.00 H new ATOM 0 HB VAL A 75 4.603 7.958 3.374 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.960 6.316 2.642 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.409 5.553 3.337 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.907 5.641 4.287 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.163 8.453 3.461 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.118 7.868 5.141 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.055 9.324 4.731 1.00 10.00 H new ATOM 1064 N MET A 76 6.890 6.305 4.631 1.00 10.00 N ATOM 1065 CA MET A 76 7.959 5.319 4.583 1.00 10.00 C ATOM 1066 C MET A 76 8.419 4.922 5.956 1.00 10.00 C ATOM 1067 O MET A 76 8.491 3.753 6.238 1.00 10.00 O ATOM 1068 CB MET A 76 9.148 5.794 3.745 1.00 10.00 C ATOM 1069 CG MET A 76 8.876 6.030 2.270 1.00 10.00 C ATOM 1070 SD MET A 76 8.716 4.561 1.236 1.00 10.00 S ATOM 1071 CE MET A 76 7.162 3.903 1.797 1.00 10.00 C ATOM 0 H MET A 76 7.068 7.130 4.059 1.00 10.00 H new ATOM 0 HA MET A 76 7.535 4.440 4.097 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.523 6.722 4.177 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.946 5.056 3.833 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.958 6.611 2.181 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.682 6.644 1.868 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.634 3.450 0.958 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.342 3.148 2.563 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.556 4.707 2.215 1.00 10.00 H new ATOM 1081 N SER A 77 8.713 5.889 6.807 1.00 10.00 N ATOM 1082 CA SER A 77 9.121 5.592 8.166 1.00 10.00 C ATOM 1083 C SER A 77 8.052 4.743 8.893 1.00 10.00 C ATOM 1084 O SER A 77 8.374 3.729 9.479 1.00 10.00 O ATOM 1085 CB SER A 77 9.401 6.882 8.927 1.00 10.00 C ATOM 1086 OG SER A 77 10.438 7.638 8.304 1.00 10.00 O ATOM 0 H SER A 77 8.677 6.883 6.581 1.00 10.00 H new ATOM 0 HA SER A 77 10.040 5.007 8.129 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.492 7.481 8.978 1.00 10.00 H new ATOM 0 HB3 SER A 77 9.686 6.647 9.953 1.00 10.00 H new ATOM 0 HG SER A 77 10.110 8.007 7.457 1.00 10.00 H new ATOM 1092 N HIS A 78 6.784 5.123 8.768 1.00 10.00 N ATOM 1093 CA HIS A 78 5.676 4.334 9.368 1.00 10.00 C ATOM 1094 C HIS A 78 5.610 2.912 8.781 1.00 10.00 C ATOM 1095 O HIS A 78 5.343 1.940 9.475 1.00 10.00 O ATOM 1096 CB HIS A 78 4.314 5.023 9.140 1.00 10.00 C ATOM 1097 CG HIS A 78 3.970 6.126 10.097 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.393 7.423 9.955 1.00 10.00 N ATOM 1099 CD2 HIS A 78 3.189 6.114 11.198 1.00 10.00 C ATOM 1100 CE1 HIS A 78 3.891 8.156 10.928 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.158 7.389 11.693 1.00 10.00 N ATOM 0 H HIS A 78 6.485 5.959 8.266 1.00 10.00 H new ATOM 0 HA HIS A 78 5.882 4.273 10.437 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.298 5.428 8.128 1.00 10.00 H new ATOM 0 HB3 HIS A 78 3.532 4.265 9.192 1.00 10.00 H new ATOM 0 HD1 HIS A 78 5.001 7.767 9.212 1.00 10.00 H new ATOM 0 HD2 HIS A 78 2.682 5.255 11.612 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.057 9.214 11.070 1.00 10.00 H new ATOM 1110 N ILE A 79 5.878 2.827 7.513 1.00 10.00 N ATOM 1111 CA ILE A 79 5.761 1.612 6.737 1.00 10.00 C ATOM 1112 C ILE A 79 6.961 0.649 6.860 1.00 10.00 C ATOM 1113 O ILE A 79 6.771 -0.559 7.037 1.00 10.00 O ATOM 1114 CB ILE A 79 5.447 1.996 5.261 1.00 10.00 C ATOM 1115 CG1 ILE A 79 3.955 2.310 5.064 1.00 10.00 C ATOM 1116 CG2 ILE A 79 5.982 1.037 4.244 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.586 2.662 3.644 1.00 10.00 C ATOM 0 H ILE A 79 6.196 3.625 6.964 1.00 10.00 H new ATOM 0 HA ILE A 79 4.937 1.032 7.153 1.00 10.00 H new ATOM 0 HB ILE A 79 6.001 2.916 5.072 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.368 1.447 5.378 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.679 3.138 5.717 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.717 1.382 3.244 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.067 0.980 4.333 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.552 0.050 4.413 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.518 2.870 3.587 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.145 3.544 3.331 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.829 1.827 2.987 1.00 10.00 H new ATOM 1129 N GLN A 80 8.155 1.171 6.715 1.00 10.00 N ATOM 1130 CA GLN A 80 9.403 0.440 6.827 1.00 10.00 C ATOM 1131 C GLN A 80 9.655 -0.154 8.217 1.00 10.00 C ATOM 1132 O GLN A 80 10.528 -0.998 8.383 1.00 10.00 O ATOM 1133 CB GLN A 80 10.546 1.328 6.356 1.00 10.00 C ATOM 1134 CG GLN A 80 10.422 1.693 4.874 1.00 10.00 C ATOM 1135 CD GLN A 80 10.481 0.495 4.036 1.00 10.00 C ATOM 1136 OE1 GLN A 80 11.551 0.037 3.626 1.00 10.00 O ATOM 1137 NE2 GLN A 80 9.388 -0.023 3.765 1.00 10.00 N ATOM 0 H GLN A 80 8.294 2.160 6.507 1.00 10.00 H new ATOM 0 HA GLN A 80 9.334 -0.433 6.178 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.565 2.240 6.953 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.494 0.817 6.525 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.482 2.217 4.701 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.224 2.377 4.595 1.00 10.00 H new ATOM 0 HE21 GLN A 80 8.526 0.387 4.124 1.00 10.00 H new ATOM 0 HE22 GLN A 80 9.351 -0.860 3.183 1.00 10.00 H new ATOM 1146 N ARG A 81 8.885 0.272 9.204 1.00 10.00 N ATOM 1147 CA ARG A 81 8.909 -0.332 10.546 1.00 10.00 C ATOM 1148 C ARG A 81 7.947 -1.522 10.594 1.00 10.00 C ATOM 1149 O ARG A 81 7.459 -1.908 11.647 1.00 10.00 O ATOM 1150 CB ARG A 81 8.560 0.703 11.628 1.00 10.00 C ATOM 1151 CG ARG A 81 9.740 1.551 12.104 1.00 10.00 C ATOM 1152 CD ARG A 81 10.429 2.282 10.974 1.00 10.00 C ATOM 1153 NE ARG A 81 11.537 3.117 11.427 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.472 3.643 10.635 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.475 3.376 9.328 1.00 10.00 N ATOM 1156 NH2 ARG A 81 13.395 4.434 11.147 1.00 10.00 N ATOM 0 H ARG A 81 8.224 1.043 9.109 1.00 10.00 H new ATOM 0 HA ARG A 81 9.919 -0.687 10.751 1.00 10.00 H new ATOM 0 HB2 ARG A 81 7.786 1.366 11.241 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.134 0.182 12.486 1.00 10.00 H new ATOM 0 HG2 ARG A 81 9.388 2.276 12.838 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.462 0.910 12.610 1.00 10.00 H new ATOM 0 HD2 ARG A 81 10.801 1.555 10.252 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.701 2.905 10.454 1.00 10.00 H new ATOM 0 HE ARG A 81 11.601 3.313 12.426 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.760 2.767 8.930 1.00 10.00 H new ATOM 0 HH12 ARG A 81 13.192 3.781 8.726 1.00 10.00 H new ATOM 0 HH21 ARG A 81 13.392 4.642 12.146 1.00 10.00 H new ATOM 0 HH22 ARG A 81 14.112 4.838 10.544 1.00 10.00 H new ATOM 1170 N ASP A 82 7.715 -2.073 9.406 1.00 10.00 N ATOM 1171 CA ASP A 82 6.902 -3.256 9.113 1.00 10.00 C ATOM 1172 C ASP A 82 6.786 -4.353 10.164 1.00 10.00 C ATOM 1173 O ASP A 82 7.654 -4.577 11.031 1.00 10.00 O ATOM 1174 CB ASP A 82 7.202 -3.797 7.705 1.00 10.00 C ATOM 1175 CG ASP A 82 6.931 -5.274 7.482 1.00 10.00 C ATOM 1176 OD1 ASP A 82 5.738 -5.656 7.397 1.00 10.00 O ATOM 1177 OD2 ASP A 82 7.878 -6.044 7.425 1.00 10.00 O ATOM 0 H ASP A 82 8.119 -1.677 8.558 1.00 10.00 H new ATOM 0 HA ASP A 82 5.888 -2.858 9.152 1.00 10.00 H new ATOM 0 HB2 ASP A 82 6.612 -3.228 6.987 1.00 10.00 H new ATOM 0 HB3 ASP A 82 8.251 -3.603 7.480 1.00 10.00 H new ATOM 1182 N ARG A 83 5.700 -5.064 9.980 1.00 10.00 N ATOM 1183 CA ARG A 83 5.117 -6.007 10.858 1.00 10.00 C ATOM 1184 C ARG A 83 3.799 -6.512 10.209 1.00 10.00 C ATOM 1185 O ARG A 83 3.353 -7.605 10.482 1.00 10.00 O ATOM 1186 CB ARG A 83 4.895 -5.352 12.239 1.00 10.00 C ATOM 1187 CG ARG A 83 4.204 -3.995 12.182 1.00 10.00 C ATOM 1188 CD ARG A 83 4.386 -3.233 13.487 1.00 10.00 C ATOM 1189 NE ARG A 83 5.777 -2.772 13.662 1.00 10.00 N ATOM 1190 CZ ARG A 83 6.254 -2.112 14.727 1.00 10.00 C ATOM 1191 NH1 ARG A 83 5.435 -1.702 15.685 1.00 10.00 N ATOM 1192 NH2 ARG A 83 7.544 -1.798 14.789 1.00 10.00 N ATOM 0 H ARG A 83 5.160 -4.975 9.119 1.00 10.00 H new ATOM 0 HA ARG A 83 5.768 -6.866 11.020 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.300 -6.025 12.856 1.00 10.00 H new ATOM 0 HB3 ARG A 83 5.860 -5.236 12.733 1.00 10.00 H new ATOM 0 HG2 ARG A 83 4.610 -3.411 11.356 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.141 -4.133 11.983 1.00 10.00 H new ATOM 0 HD2 ARG A 83 3.714 -2.375 13.504 1.00 10.00 H new ATOM 0 HD3 ARG A 83 4.107 -3.873 14.324 1.00 10.00 H new ATOM 0 HE ARG A 83 6.433 -2.973 12.907 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.435 -1.888 15.615 1.00 10.00 H new ATOM 0 HH12 ARG A 83 5.805 -1.200 16.492 1.00 10.00 H new ATOM 0 HH21 ARG A 83 8.170 -2.059 14.027 1.00 10.00 H new ATOM 0 HH22 ARG A 83 7.908 -1.296 15.599 1.00 10.00 H new ATOM 1206 N ARG A 84 3.191 -5.692 9.304 1.00 10.00 N ATOM 1207 CA ARG A 84 1.955 -6.101 8.608 1.00 10.00 C ATOM 1208 C ARG A 84 2.085 -6.221 7.060 1.00 10.00 C ATOM 1209 O ARG A 84 1.088 -6.199 6.370 1.00 10.00 O ATOM 1210 CB ARG A 84 0.759 -5.174 8.914 1.00 10.00 C ATOM 1211 CG ARG A 84 0.019 -5.431 10.229 1.00 10.00 C ATOM 1212 CD ARG A 84 0.748 -4.949 11.468 1.00 10.00 C ATOM 1213 NE ARG A 84 0.855 -3.473 11.522 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.049 -2.654 12.102 1.00 10.00 C ATOM 1215 NH1 ARG A 84 -1.187 -3.134 12.584 1.00 10.00 N ATOM 1216 NH2 ARG A 84 0.200 -1.365 12.199 1.00 10.00 N ATOM 0 H ARG A 84 3.534 -4.766 9.050 1.00 10.00 H new ATOM 0 HA ARG A 84 1.773 -7.097 9.011 1.00 10.00 H new ATOM 0 HB2 ARG A 84 1.117 -4.144 8.919 1.00 10.00 H new ATOM 0 HB3 ARG A 84 0.043 -5.259 8.097 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -0.955 -4.944 10.184 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.164 -6.501 10.324 1.00 10.00 H new ATOM 0 HD2 ARG A 84 0.225 -5.305 12.356 1.00 10.00 H new ATOM 0 HD3 ARG A 84 1.747 -5.384 11.491 1.00 10.00 H new ATOM 0 HE ARG A 84 1.672 -3.043 11.089 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -1.388 -4.132 12.519 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -1.862 -2.505 13.020 1.00 10.00 H new ATOM 0 HH21 ARG A 84 1.075 -0.986 11.836 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -0.482 -0.745 12.637 1.00 10.00 H new ATOM 1230 N HIS A 85 3.279 -6.374 6.525 1.00 10.00 N ATOM 1231 CA HIS A 85 3.481 -6.494 5.064 1.00 10.00 C ATOM 1232 C HIS A 85 4.863 -6.963 4.745 1.00 10.00 C ATOM 1233 O HIS A 85 5.742 -6.163 4.437 1.00 10.00 O ATOM 1234 CB HIS A 85 3.120 -5.230 4.248 1.00 10.00 C ATOM 1235 CG HIS A 85 3.678 -3.916 4.743 1.00 10.00 C ATOM 1236 ND1 HIS A 85 3.459 -2.729 4.108 1.00 10.00 N ATOM 1237 CD2 HIS A 85 4.408 -3.602 5.838 1.00 10.00 C ATOM 1238 CE1 HIS A 85 4.022 -1.778 4.786 1.00 10.00 C ATOM 1239 NE2 HIS A 85 4.593 -2.273 5.835 1.00 10.00 N ATOM 0 H HIS A 85 4.140 -6.420 7.070 1.00 10.00 H new ATOM 0 HA HIS A 85 2.763 -7.249 4.745 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.460 -5.379 3.223 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.034 -5.146 4.214 1.00 10.00 H new ATOM 0 HD2 HIS A 85 4.775 -4.295 6.580 1.00 10.00 H new ATOM 0 HE1 HIS A 85 4.015 -0.732 4.516 1.00 10.00 H new ATOM 0 HE2 HIS A 85 5.100 -1.742 6.543 1.00 10.00 H new ATOM 1248 N SER A 86 4.967 -8.260 4.676 1.00 10.00 N ATOM 1249 CA SER A 86 6.190 -9.038 4.681 1.00 10.00 C ATOM 1250 C SER A 86 7.552 -8.384 4.832 1.00 10.00 C ATOM 1251 O SER A 86 8.249 -8.637 5.811 1.00 10.00 O ATOM 1252 CB SER A 86 6.134 -10.129 3.722 1.00 10.00 C ATOM 1253 OG SER A 86 5.475 -11.242 4.234 1.00 10.00 O ATOM 0 H SER A 86 4.140 -8.853 4.609 1.00 10.00 H new ATOM 0 HA SER A 86 6.163 -9.429 5.698 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.626 -9.791 2.819 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.147 -10.409 3.433 1.00 10.00 H new ATOM 0 HG SER A 86 4.919 -11.643 3.534 1.00 10.00 H new ATOM 1259 N ASN A 87 7.927 -7.581 3.892 1.00 10.00 N ATOM 1260 CA ASN A 87 9.261 -6.976 3.926 1.00 10.00 C ATOM 1261 C ASN A 87 9.253 -5.535 3.537 1.00 10.00 C ATOM 1262 O ASN A 87 10.243 -4.829 3.754 1.00 10.00 O ATOM 1263 CB ASN A 87 10.288 -7.693 3.035 1.00 10.00 C ATOM 1264 CG ASN A 87 10.121 -9.174 2.914 1.00 10.00 C ATOM 1265 OD1 ASN A 87 10.493 -9.938 3.807 1.00 10.00 O ATOM 1266 ND2 ASN A 87 9.694 -9.602 1.749 1.00 10.00 N ATOM 0 H ASN A 87 7.353 -7.317 3.091 1.00 10.00 H new ATOM 0 HA ASN A 87 9.560 -7.080 4.969 1.00 10.00 H new ATOM 0 HB2 ASN A 87 10.242 -7.258 2.037 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.285 -7.489 3.425 1.00 10.00 H new ATOM 0 HD21 ASN A 87 9.661 -10.603 1.554 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.395 -8.934 1.038 1.00 10.00 H new ATOM 1273 N VAL A 88 8.138 -5.103 3.047 1.00 10.00 N ATOM 1274 CA VAL A 88 7.967 -3.826 2.404 1.00 10.00 C ATOM 1275 C VAL A 88 9.175 -3.245 1.699 1.00 10.00 C ATOM 1276 O VAL A 88 9.884 -2.351 2.201 1.00 10.00 O ATOM 1277 CB VAL A 88 7.104 -2.827 3.176 1.00 10.00 C ATOM 1278 CG1 VAL A 88 7.607 -2.514 4.533 1.00 10.00 C ATOM 1279 CG2 VAL A 88 6.872 -1.571 2.418 1.00 10.00 C ATOM 0 H VAL A 88 7.278 -5.650 3.082 1.00 10.00 H new ATOM 0 HA VAL A 88 7.347 -4.090 1.548 1.00 10.00 H new ATOM 0 HB VAL A 88 6.151 -3.341 3.302 1.00 10.00 H new ATOM 0 HG11 VAL A 88 6.939 -1.799 5.013 1.00 10.00 H new ATOM 0 HG12 VAL A 88 7.647 -3.428 5.126 1.00 10.00 H new ATOM 0 HG13 VAL A 88 8.606 -2.085 4.461 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.254 -0.897 3.011 1.00 10.00 H new ATOM 0 HG22 VAL A 88 7.828 -1.093 2.204 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.363 -1.800 1.482 1.00 10.00 H new ATOM 1289 N GLU A 89 9.404 -3.781 0.553 1.00 10.00 N ATOM 1290 CA GLU A 89 10.493 -3.407 -0.269 1.00 10.00 C ATOM 1291 C GLU A 89 10.015 -2.427 -1.278 1.00 10.00 C ATOM 1292 O GLU A 89 9.403 -2.802 -2.280 1.00 10.00 O ATOM 1293 CB GLU A 89 11.060 -4.632 -0.932 1.00 10.00 C ATOM 1294 CG GLU A 89 11.542 -5.616 0.067 1.00 10.00 C ATOM 1295 CD GLU A 89 11.273 -7.029 -0.347 1.00 10.00 C ATOM 1296 OE1 GLU A 89 10.093 -7.453 -0.308 1.00 10.00 O ATOM 1297 OE2 GLU A 89 12.209 -7.733 -0.762 1.00 10.00 O ATOM 0 H GLU A 89 8.819 -4.514 0.152 1.00 10.00 H new ATOM 0 HA GLU A 89 11.281 -2.945 0.325 1.00 10.00 H new ATOM 0 HB2 GLU A 89 10.298 -5.093 -1.560 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.882 -4.345 -1.588 1.00 10.00 H new ATOM 0 HG2 GLU A 89 12.613 -5.482 0.217 1.00 10.00 H new ATOM 0 HG3 GLU A 89 11.059 -5.423 1.025 1.00 10.00 H new ATOM 1304 N ILE A 90 10.134 -1.179 -0.893 1.00 10.00 N ATOM 1305 CA ILE A 90 9.882 -0.022 -1.739 1.00 10.00 C ATOM 1306 C ILE A 90 10.536 -0.263 -3.053 1.00 10.00 C ATOM 1307 O ILE A 90 9.884 -0.566 -4.016 1.00 10.00 O ATOM 1308 CB ILE A 90 10.419 1.297 -1.075 1.00 10.00 C ATOM 1309 CG1 ILE A 90 10.197 1.276 0.431 1.00 10.00 C ATOM 1310 CG2 ILE A 90 9.735 2.539 -1.639 1.00 10.00 C ATOM 1311 CD1 ILE A 90 8.766 1.082 0.822 1.00 10.00 C ATOM 0 H ILE A 90 10.419 -0.925 0.053 1.00 10.00 H new ATOM 0 HA ILE A 90 8.809 0.110 -1.874 1.00 10.00 H new ATOM 0 HB ILE A 90 11.485 1.342 -1.299 1.00 10.00 H new ATOM 0 HG12 ILE A 90 10.796 0.476 0.867 1.00 10.00 H new ATOM 0 HG13 ILE A 90 10.558 2.213 0.856 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.136 3.428 -1.152 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.917 2.599 -2.712 1.00 10.00 H new ATOM 0 HG23 ILE A 90 8.662 2.478 -1.456 1.00 10.00 H new ATOM 0 HD11 ILE A 90 8.683 1.077 1.909 1.00 10.00 H new ATOM 0 HD12 ILE A 90 8.164 1.895 0.416 1.00 10.00 H new ATOM 0 HD13 ILE A 90 8.406 0.132 0.427 1.00 10.00 H new ATOM 1323 N LEU A 91 11.823 -0.182 -3.053 1.00 10.00 N ATOM 1324 CA LEU A 91 12.694 -0.494 -4.190 1.00 10.00 C ATOM 1325 C LEU A 91 12.540 0.494 -5.353 1.00 10.00 C ATOM 1326 O LEU A 91 13.454 0.654 -6.166 1.00 10.00 O ATOM 1327 CB LEU A 91 12.495 -1.947 -4.668 1.00 10.00 C ATOM 1328 CG LEU A 91 12.783 -3.056 -3.637 1.00 10.00 C ATOM 1329 CD1 LEU A 91 12.490 -4.410 -4.246 1.00 10.00 C ATOM 1330 CD2 LEU A 91 14.232 -2.993 -3.174 1.00 10.00 C ATOM 0 H LEU A 91 12.346 0.117 -2.229 1.00 10.00 H new ATOM 0 HA LEU A 91 13.716 -0.389 -3.827 1.00 10.00 H new ATOM 0 HB2 LEU A 91 11.465 -2.056 -5.008 1.00 10.00 H new ATOM 0 HB3 LEU A 91 13.136 -2.112 -5.534 1.00 10.00 H new ATOM 0 HG LEU A 91 12.138 -2.905 -2.771 1.00 10.00 H new ATOM 0 HD11 LEU A 91 12.695 -5.191 -3.513 1.00 10.00 H new ATOM 0 HD12 LEU A 91 11.442 -4.457 -4.542 1.00 10.00 H new ATOM 0 HD13 LEU A 91 13.122 -4.559 -5.122 1.00 10.00 H new ATOM 0 HD21 LEU A 91 14.416 -3.784 -2.447 1.00 10.00 H new ATOM 0 HD22 LEU A 91 14.894 -3.126 -4.030 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.425 -2.024 -2.714 1.00 10.00 H new ATOM 1342 N ALA A 92 11.403 1.138 -5.434 1.00 10.00 N ATOM 1343 CA ALA A 92 11.141 2.086 -6.466 1.00 10.00 C ATOM 1344 C ALA A 92 10.668 3.374 -5.855 1.00 10.00 C ATOM 1345 O ALA A 92 9.611 3.421 -5.229 1.00 10.00 O ATOM 1346 CB ALA A 92 10.088 1.546 -7.410 1.00 10.00 C ATOM 0 H ALA A 92 10.633 1.012 -4.777 1.00 10.00 H new ATOM 0 HA ALA A 92 12.057 2.268 -7.028 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.894 2.277 -8.195 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.442 0.618 -7.858 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.168 1.354 -6.858 1.00 10.00 H new ATOM 1352 N GLU A 93 11.458 4.392 -5.992 1.00 10.00 N ATOM 1353 CA GLU A 93 11.105 5.706 -5.534 1.00 10.00 C ATOM 1354 C GLU A 93 11.470 6.666 -6.615 1.00 10.00 C ATOM 1355 O GLU A 93 12.658 6.837 -6.930 1.00 10.00 O ATOM 1356 CB GLU A 93 11.808 6.083 -4.230 1.00 10.00 C ATOM 1357 CG GLU A 93 11.499 5.179 -3.092 1.00 10.00 C ATOM 1358 CD GLU A 93 12.144 5.605 -1.816 1.00 10.00 C ATOM 1359 OE1 GLU A 93 11.570 6.447 -1.104 1.00 10.00 O ATOM 1360 OE2 GLU A 93 13.222 5.075 -1.474 1.00 10.00 O ATOM 0 H GLU A 93 12.378 4.337 -6.430 1.00 10.00 H new ATOM 0 HA GLU A 93 10.037 5.734 -5.319 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.885 6.084 -4.397 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.527 7.101 -3.959 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.419 5.138 -2.951 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.826 4.169 -3.338 1.00 10.00 H new ATOM 1367 N GLU A 94 10.479 7.237 -7.213 1.00 10.00 N ATOM 1368 CA GLU A 94 10.667 8.144 -8.309 1.00 10.00 C ATOM 1369 C GLU A 94 9.916 9.441 -8.081 1.00 10.00 C ATOM 1370 O GLU A 94 8.829 9.452 -7.496 1.00 10.00 O ATOM 1371 CB GLU A 94 10.268 7.450 -9.626 1.00 10.00 C ATOM 1372 CG GLU A 94 8.900 6.777 -9.599 1.00 10.00 C ATOM 1373 CD GLU A 94 8.724 5.819 -10.747 1.00 10.00 C ATOM 1374 OE1 GLU A 94 9.284 4.707 -10.682 1.00 10.00 O ATOM 1375 OE2 GLU A 94 8.042 6.149 -11.736 1.00 10.00 O ATOM 0 H GLU A 94 9.503 7.089 -6.956 1.00 10.00 H new ATOM 0 HA GLU A 94 11.721 8.414 -8.380 1.00 10.00 H new ATOM 0 HB2 GLU A 94 10.280 8.188 -10.428 1.00 10.00 H new ATOM 0 HB3 GLU A 94 11.022 6.702 -9.870 1.00 10.00 H new ATOM 0 HG2 GLU A 94 8.777 6.242 -8.657 1.00 10.00 H new ATOM 0 HG3 GLU A 94 8.120 7.538 -9.638 1.00 10.00 H new ATOM 1382 N SER A 95 10.510 10.524 -8.502 1.00 10.00 N ATOM 1383 CA SER A 95 9.925 11.818 -8.375 1.00 10.00 C ATOM 1384 C SER A 95 8.852 11.966 -9.417 1.00 10.00 C ATOM 1385 O SER A 95 9.087 11.715 -10.610 1.00 10.00 O ATOM 1386 CB SER A 95 10.988 12.875 -8.523 1.00 10.00 C ATOM 1387 OG SER A 95 12.003 12.675 -7.562 1.00 10.00 O ATOM 0 H SER A 95 11.427 10.526 -8.948 1.00 10.00 H new ATOM 0 HA SER A 95 9.475 11.938 -7.390 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.413 12.838 -9.526 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.548 13.865 -8.400 1.00 10.00 H new ATOM 0 HG SER A 95 12.692 13.365 -7.665 1.00 10.00 H new ATOM 1393 N ILE A 96 7.688 12.336 -8.983 1.00 10.00 N ATOM 1394 CA ILE A 96 6.556 12.381 -9.864 1.00 10.00 C ATOM 1395 C ILE A 96 5.927 13.732 -10.019 1.00 10.00 C ATOM 1396 O ILE A 96 6.283 14.687 -9.336 1.00 10.00 O ATOM 1397 CB ILE A 96 5.479 11.400 -9.468 1.00 10.00 C ATOM 1398 CG1 ILE A 96 5.049 11.639 -8.040 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.975 9.970 -9.684 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.712 11.116 -7.707 1.00 10.00 C ATOM 0 H ILE A 96 7.493 12.613 -8.021 1.00 10.00 H new ATOM 0 HA ILE A 96 6.985 12.106 -10.827 1.00 10.00 H new ATOM 0 HB ILE A 96 4.602 11.548 -10.099 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.780 11.182 -7.373 1.00 10.00 H new ATOM 0 HG13 ILE A 96 5.065 12.711 -7.844 1.00 10.00 H new ATOM 0 HG21 ILE A 96 5.194 9.267 -9.397 1.00 10.00 H new ATOM 0 HG22 ILE A 96 6.224 9.826 -10.735 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.862 9.796 -9.074 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.486 11.332 -6.663 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.966 11.590 -8.345 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.693 10.038 -7.866 1.00 10.00 H new ATOM 1412 N ALA A 97 4.986 13.805 -10.942 1.00 10.00 N ATOM 1413 CA ALA A 97 4.195 15.010 -11.159 1.00 10.00 C ATOM 1414 C ALA A 97 2.864 14.857 -10.530 1.00 10.00 C ATOM 1415 O ALA A 97 2.057 15.796 -10.465 1.00 10.00 O ATOM 1416 CB ALA A 97 4.030 15.296 -12.599 1.00 10.00 C ATOM 0 H ALA A 97 4.746 13.033 -11.564 1.00 10.00 H new ATOM 0 HA ALA A 97 4.727 15.846 -10.704 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.435 16.201 -12.724 1.00 10.00 H new ATOM 0 HB2 ALA A 97 5.009 15.439 -13.056 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.524 14.459 -13.080 1.00 10.00 H new ATOM 1422 N LYS A 98 2.689 13.691 -10.041 1.00 10.00 N ATOM 1423 CA LYS A 98 1.543 13.214 -9.414 1.00 10.00 C ATOM 1424 C LYS A 98 0.281 13.402 -10.283 1.00 10.00 C ATOM 1425 O LYS A 98 0.387 13.540 -11.525 1.00 10.00 O ATOM 1426 CB LYS A 98 1.516 13.887 -8.086 1.00 10.00 C ATOM 1427 CG LYS A 98 0.712 13.247 -7.071 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.332 14.114 -6.523 1.00 10.00 C ATOM 1429 CE LYS A 98 0.191 14.767 -5.340 1.00 10.00 C ATOM 1430 NZ LYS A 98 -0.820 15.615 -4.674 1.00 10.00 N ATOM 0 H LYS A 98 3.424 12.985 -10.079 1.00 10.00 H new ATOM 0 HA LYS A 98 1.557 12.134 -9.270 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.539 13.963 -7.718 1.00 10.00 H new ATOM 0 HB3 LYS A 98 1.151 14.905 -8.223 1.00 10.00 H new ATOM 0 HG2 LYS A 98 0.249 12.356 -7.494 1.00 10.00 H new ATOM 0 HG3 LYS A 98 1.361 12.915 -6.260 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.636 14.855 -7.262 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.218 13.530 -6.274 1.00 10.00 H new ATOM 0 HE2 LYS A 98 0.548 14.012 -4.639 1.00 10.00 H new ATOM 0 HE3 LYS A 98 1.050 15.378 -5.615 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -0.419 16.558 -4.496 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -1.656 15.704 -5.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.097 15.181 -3.770 1.00 10.00 H new ATOM 1444 N ARG A 99 -0.867 13.262 -9.654 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.178 13.512 -10.225 1.00 10.00 C ATOM 1446 C ARG A 99 -2.658 12.300 -11.010 1.00 10.00 C ATOM 1447 O ARG A 99 -3.516 12.407 -11.884 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.181 14.819 -11.070 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.547 15.463 -11.256 1.00 10.00 C ATOM 1450 CD ARG A 99 -4.091 15.932 -9.913 1.00 10.00 C ATOM 1451 NE ARG A 99 -5.355 16.656 -10.020 1.00 10.00 N ATOM 1452 CZ ARG A 99 -5.645 17.774 -9.335 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -4.741 18.303 -8.504 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -6.827 18.359 -9.487 1.00 10.00 N ATOM 0 H ARG A 99 -0.916 12.956 -8.682 1.00 10.00 H new ATOM 0 HA ARG A 99 -2.891 13.669 -9.415 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -1.517 15.542 -10.596 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.763 14.599 -12.052 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.469 16.307 -11.941 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.236 14.749 -11.707 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -4.230 15.068 -9.264 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -3.352 16.575 -9.434 1.00 10.00 H new ATOM 0 HE ARG A 99 -6.063 16.289 -10.656 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -3.831 17.857 -8.390 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -4.962 19.152 -7.984 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -7.516 17.959 -10.124 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -7.046 19.208 -8.966 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.170 11.144 -10.640 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.500 9.929 -11.347 1.00 10.00 C ATOM 1470 C ARG A 100 -3.783 9.301 -10.827 1.00 10.00 C ATOM 1471 O ARG A 100 -4.700 9.042 -11.598 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.347 8.949 -11.255 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.052 9.558 -11.729 1.00 10.00 C ATOM 1474 CD ARG A 100 1.112 8.617 -11.540 1.00 10.00 C ATOM 1475 NE ARG A 100 2.363 9.231 -11.981 1.00 10.00 N ATOM 1476 CZ ARG A 100 3.482 8.583 -12.306 1.00 10.00 C ATOM 1477 NH1 ARG A 100 3.512 7.259 -12.314 1.00 10.00 N ATOM 1478 NH2 ARG A 100 4.558 9.269 -12.665 1.00 10.00 N ATOM 0 H ARG A 100 -1.539 11.016 -9.849 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.670 10.185 -12.393 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -1.235 8.616 -10.223 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.573 8.066 -11.852 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.139 9.822 -12.783 1.00 10.00 H new ATOM 0 HG3 ARG A 100 0.136 10.483 -11.183 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.191 8.338 -10.489 1.00 10.00 H new ATOM 0 HD3 ARG A 100 0.936 7.699 -12.101 1.00 10.00 H new ATOM 0 HE ARG A 100 2.382 10.249 -12.046 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.676 6.728 -12.071 1.00 10.00 H new ATOM 0 HH12 ARG A 100 4.372 6.770 -12.564 1.00 10.00 H new ATOM 0 HH21 ARG A 100 4.528 10.288 -12.692 1.00 10.00 H new ATOM 0 HH22 ARG A 100 5.416 8.778 -12.914 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.861 9.061 -9.532 1.00 10.00 N ATOM 1493 CA PHE A 101 -5.054 8.402 -8.985 1.00 10.00 C ATOM 1494 C PHE A 101 -5.968 9.315 -8.223 1.00 10.00 C ATOM 1495 O PHE A 101 -7.088 8.939 -7.884 1.00 10.00 O ATOM 1496 CB PHE A 101 -4.723 7.127 -8.202 1.00 10.00 C ATOM 1497 CG PHE A 101 -4.512 5.926 -9.079 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -3.438 5.857 -9.944 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -5.413 4.873 -9.050 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -3.264 4.760 -10.759 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -5.247 3.773 -9.864 1.00 10.00 C ATOM 1502 CZ PHE A 101 -4.171 3.715 -10.718 1.00 10.00 C ATOM 0 H PHE A 101 -3.142 9.300 -8.849 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.623 8.096 -9.863 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -3.824 7.297 -7.609 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -5.532 6.919 -7.502 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -2.728 6.670 -9.982 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -6.258 4.915 -8.379 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -2.419 4.715 -11.430 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -5.958 2.961 -9.831 1.00 10.00 H new ATOM 0 HZ PHE A 101 -4.034 2.855 -11.356 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.469 10.482 -7.935 1.00 10.00 N ATOM 1513 CA ALA A 102 -6.197 11.592 -7.237 1.00 10.00 C ATOM 1514 C ALA A 102 -6.694 11.270 -5.791 1.00 10.00 C ATOM 1515 O ALA A 102 -7.069 12.173 -5.038 1.00 10.00 O ATOM 1516 CB ALA A 102 -7.303 12.178 -8.111 1.00 10.00 C ATOM 0 H ALA A 102 -4.510 10.733 -8.174 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.437 12.359 -7.084 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.807 12.979 -7.571 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.869 12.576 -9.029 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -8.023 11.398 -8.358 1.00 10.00 H new ATOM 1522 N GLY A 103 -6.717 10.021 -5.442 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.007 9.569 -4.098 1.00 10.00 C ATOM 1524 C GLY A 103 -6.321 8.248 -3.899 1.00 10.00 C ATOM 1525 O GLY A 103 -5.887 7.664 -4.891 1.00 10.00 O ATOM 0 H GLY A 103 -6.531 9.260 -6.095 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -6.655 10.296 -3.366 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.082 9.466 -3.953 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.178 7.765 -2.672 1.00 10.00 N ATOM 1530 CA TRP A 104 -5.592 6.452 -2.446 1.00 10.00 C ATOM 1531 C TRP A 104 -6.696 5.404 -2.484 1.00 10.00 C ATOM 1532 O TRP A 104 -7.781 5.635 -1.956 1.00 10.00 O ATOM 1533 CB TRP A 104 -4.746 6.437 -1.152 1.00 10.00 C ATOM 1534 CG TRP A 104 -4.276 5.095 -0.695 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -3.069 4.504 -0.905 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -5.026 4.196 0.088 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -3.050 3.278 -0.313 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -4.249 3.074 0.310 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -6.293 4.238 0.611 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -4.722 2.010 1.051 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -6.754 3.233 1.314 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -5.994 2.131 1.543 1.00 10.00 C ATOM 0 H TRP A 104 -6.457 8.259 -1.824 1.00 10.00 H new ATOM 0 HA TRP A 104 -4.889 6.205 -3.241 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -3.874 7.074 -1.304 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -5.334 6.887 -0.352 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -2.250 4.941 -1.457 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -2.270 2.621 -0.331 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -6.915 5.105 0.442 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -4.122 1.131 1.233 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -7.754 3.282 1.718 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -6.406 1.325 2.132 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.442 4.283 -3.148 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.465 3.287 -3.380 1.00 10.00 C ATOM 1555 C HIS A 105 -7.031 1.913 -2.908 1.00 10.00 C ATOM 1556 O HIS A 105 -5.979 1.426 -3.299 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.750 3.227 -4.881 1.00 10.00 C ATOM 1558 CG HIS A 105 -8.421 4.442 -5.444 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.727 5.525 -5.948 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.727 4.738 -5.596 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.587 6.428 -6.387 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.802 5.978 -6.184 1.00 10.00 N ATOM 0 H HIS A 105 -5.529 4.046 -3.535 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.355 3.570 -2.818 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.809 3.072 -5.409 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -8.376 2.358 -5.083 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.711 5.614 -5.977 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -10.561 4.115 -5.309 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.332 7.376 -6.837 1.00 10.00 H new ATOM 1571 N MET A 106 -7.821 1.299 -2.082 1.00 10.00 N ATOM 1572 CA MET A 106 -7.551 -0.054 -1.659 1.00 10.00 C ATOM 1573 C MET A 106 -8.522 -0.931 -2.423 1.00 10.00 C ATOM 1574 O MET A 106 -9.679 -0.550 -2.596 1.00 10.00 O ATOM 1575 CB MET A 106 -7.794 -0.187 -0.157 1.00 10.00 C ATOM 1576 CG MET A 106 -6.963 -1.259 0.567 1.00 10.00 C ATOM 1577 SD MET A 106 -7.231 -2.955 0.014 1.00 10.00 S ATOM 1578 CE MET A 106 -6.149 -3.847 1.151 1.00 10.00 C ATOM 0 H MET A 106 -8.664 1.710 -1.682 1.00 10.00 H new ATOM 0 HA MET A 106 -6.517 -0.339 -1.854 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.593 0.777 0.310 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.850 -0.405 0.002 1.00 10.00 H new ATOM 0 HG2 MET A 106 -5.907 -1.018 0.445 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.182 -1.204 1.633 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.990 -4.860 0.782 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.191 -3.332 1.221 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.612 -3.888 2.137 1.00 10.00 H new ATOM 1588 N GLN A 107 -8.077 -2.069 -2.895 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.937 -2.936 -3.684 1.00 10.00 C ATOM 1590 C GLN A 107 -10.041 -3.579 -2.828 1.00 10.00 C ATOM 1591 O GLN A 107 -11.143 -3.817 -3.308 1.00 10.00 O ATOM 1592 CB GLN A 107 -8.123 -4.016 -4.404 1.00 10.00 C ATOM 1593 CG GLN A 107 -7.458 -5.028 -3.482 1.00 10.00 C ATOM 1594 CD GLN A 107 -6.646 -6.052 -4.232 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -6.081 -5.768 -5.285 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -6.606 -7.253 -3.724 1.00 10.00 N ATOM 0 H GLN A 107 -7.131 -2.421 -2.751 1.00 10.00 H new ATOM 0 HA GLN A 107 -9.419 -2.309 -4.434 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -8.779 -4.548 -5.093 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -7.354 -3.532 -5.006 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -6.812 -4.503 -2.778 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -8.223 -5.536 -2.895 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -7.087 -7.452 -2.847 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -6.093 -7.993 -4.204 1.00 10.00 H new