USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 11:sc= -1.57 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 0:sc= -0.154 USER MOD Single : A 35 SER OG : rot 180:sc= -0.707 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0826 K(o=-0.083,f=-0.96) USER MOD Single : A 43 THR OG1 : rot 60:sc= 0.328 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.24 K(o=-1.2,f=-3.4) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 74:sc= 0.0992 USER MOD Single : A 57 SER OG : rot -54:sc= 0.991 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -0.0182 (180deg=-0.128) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -110:sc= 0.905 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc=-0.00591 K(o=-0.0059,f=-0.67) USER MOD Single : A 88 LYS NZ :NH3+ -172:sc= -0.571 (180deg=-0.62) USER MOD Single : A 90 SER OG : rot 63:sc= -6.35! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -40:sc= 0.596 USER MOD Single : A 101 ASN : amide:sc= -0.305 K(o=-0.31,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 10.367 0.906 -10.644 1.00 0.00 N ATOM 112 CA GLU A 11 9.137 1.519 -11.114 1.00 0.00 C ATOM 113 C GLU A 11 7.953 1.055 -10.264 1.00 0.00 C ATOM 114 O GLU A 11 7.102 1.859 -9.885 1.00 0.00 O ATOM 115 CB GLU A 11 8.903 1.215 -12.595 1.00 0.00 C ATOM 116 CG GLU A 11 8.437 -0.230 -12.790 1.00 0.00 C ATOM 117 CD GLU A 11 8.497 -0.631 -14.265 1.00 0.00 C ATOM 118 OE1 GLU A 11 9.629 -0.684 -14.793 1.00 0.00 O ATOM 119 OE2 GLU A 11 7.410 -0.876 -14.832 1.00 0.00 O ATOM 0 HA GLU A 11 9.231 2.600 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.156 1.899 -12.997 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.823 1.383 -13.155 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.063 -0.900 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.417 -0.340 -12.421 1.00 0.00 H new ATOM 126 N LEU A 12 7.935 -0.241 -9.989 1.00 0.00 N ATOM 127 CA LEU A 12 6.869 -0.822 -9.191 1.00 0.00 C ATOM 128 C LEU A 12 7.257 -0.768 -7.712 1.00 0.00 C ATOM 129 O LEU A 12 6.440 -0.410 -6.866 1.00 0.00 O ATOM 130 CB LEU A 12 6.535 -2.231 -9.688 1.00 0.00 C ATOM 131 CG LEU A 12 5.332 -2.343 -10.627 1.00 0.00 C ATOM 132 CD1 LEU A 12 5.138 -3.785 -11.100 1.00 0.00 C ATOM 133 CD2 LEU A 12 4.070 -1.780 -9.971 1.00 0.00 C ATOM 0 H LEU A 12 8.642 -0.905 -10.305 1.00 0.00 H new ATOM 0 HA LEU A 12 5.952 -0.244 -9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.410 -2.631 -10.201 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.355 -2.867 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 12 5.532 -1.738 -11.512 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.277 -3.837 -11.766 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.029 -4.116 -11.633 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.970 -4.431 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.230 -1.872 -10.660 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.854 -2.337 -9.059 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.225 -0.729 -9.726 1.00 0.00 H new ATOM 145 N LEU A 13 8.504 -1.128 -7.448 1.00 0.00 N ATOM 146 CA LEU A 13 9.011 -1.125 -6.086 1.00 0.00 C ATOM 147 C LEU A 13 9.319 0.313 -5.663 1.00 0.00 C ATOM 148 O LEU A 13 9.681 1.143 -6.495 1.00 0.00 O ATOM 149 CB LEU A 13 10.204 -2.072 -5.955 1.00 0.00 C ATOM 150 CG LEU A 13 11.427 -1.516 -5.222 1.00 0.00 C ATOM 151 CD1 LEU A 13 11.199 -1.502 -3.710 1.00 0.00 C ATOM 152 CD2 LEU A 13 12.693 -2.283 -5.605 1.00 0.00 C ATOM 0 H LEU A 13 9.178 -1.424 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 13 8.255 -1.505 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.873 -2.972 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.512 -2.376 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 13 11.572 -0.482 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.083 -1.103 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.338 -0.876 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.014 -2.518 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.546 -1.867 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.576 -3.334 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.861 -2.196 -6.679 1.00 0.00 H new ATOM 164 N GLY A 14 9.163 0.564 -4.372 1.00 0.00 N ATOM 165 CA GLY A 14 9.419 1.887 -3.831 1.00 0.00 C ATOM 166 C GLY A 14 8.246 2.830 -4.108 1.00 0.00 C ATOM 167 O GLY A 14 8.293 4.006 -3.749 1.00 0.00 O ATOM 0 H GLY A 14 8.862 -0.127 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.588 1.818 -2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.329 2.294 -4.272 1.00 0.00 H new ATOM 171 N LYS A 15 7.224 2.280 -4.745 1.00 0.00 N ATOM 172 CA LYS A 15 6.042 3.057 -5.076 1.00 0.00 C ATOM 173 C LYS A 15 4.807 2.380 -4.475 1.00 0.00 C ATOM 174 O LYS A 15 4.863 1.216 -4.082 1.00 0.00 O ATOM 175 CB LYS A 15 5.949 3.275 -6.587 1.00 0.00 C ATOM 176 CG LYS A 15 5.250 2.098 -7.269 1.00 0.00 C ATOM 177 CD LYS A 15 3.899 2.523 -7.848 1.00 0.00 C ATOM 178 CE LYS A 15 4.073 3.193 -9.212 1.00 0.00 C ATOM 179 NZ LYS A 15 2.760 3.386 -9.867 1.00 0.00 N ATOM 0 H LYS A 15 7.190 1.305 -5.041 1.00 0.00 H new ATOM 0 HA LYS A 15 6.106 4.053 -4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.402 4.195 -6.792 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.949 3.399 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.883 1.706 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.104 1.291 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.252 1.652 -7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.405 3.211 -7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.570 4.155 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.715 2.581 -9.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.897 3.842 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.300 2.463 -10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.159 3.989 -9.269 1.00 0.00 H new ATOM 193 N VAL A 16 3.723 3.140 -4.423 1.00 0.00 N ATOM 194 CA VAL A 16 2.477 2.628 -3.877 1.00 0.00 C ATOM 195 C VAL A 16 1.852 1.650 -4.875 1.00 0.00 C ATOM 196 O VAL A 16 1.873 1.890 -6.081 1.00 0.00 O ATOM 197 CB VAL A 16 1.549 3.789 -3.516 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.116 3.298 -3.298 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.063 4.540 -2.287 1.00 0.00 C ATOM 0 H VAL A 16 3.681 4.105 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 16 2.661 2.077 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 16 1.541 4.485 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.523 4.143 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.251 2.829 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.100 2.572 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.385 5.360 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.115 3.857 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.056 4.938 -2.493 1.00 0.00 H new ATOM 209 N VAL A 17 1.309 0.569 -4.333 1.00 0.00 N ATOM 210 CA VAL A 17 0.678 -0.446 -5.161 1.00 0.00 C ATOM 211 C VAL A 17 -0.563 -0.982 -4.445 1.00 0.00 C ATOM 212 O VAL A 17 -0.676 -0.872 -3.225 1.00 0.00 O ATOM 213 CB VAL A 17 1.689 -1.540 -5.507 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.781 -1.004 -6.435 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.295 -2.148 -4.241 1.00 0.00 C ATOM 0 H VAL A 17 1.293 0.374 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 17 0.347 -0.017 -6.107 1.00 0.00 H new ATOM 0 HB VAL A 17 1.158 -2.331 -6.037 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.487 -1.802 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.329 -0.642 -7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.307 -0.185 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.010 -2.923 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.804 -1.370 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.503 -2.585 -3.632 1.00 0.00 H new ATOM 225 N SER A 18 -1.461 -1.552 -5.234 1.00 0.00 N ATOM 226 CA SER A 18 -2.690 -2.106 -4.689 1.00 0.00 C ATOM 227 C SER A 18 -2.558 -3.623 -4.540 1.00 0.00 C ATOM 228 O SER A 18 -2.254 -4.322 -5.506 1.00 0.00 O ATOM 229 CB SER A 18 -3.889 -1.763 -5.576 1.00 0.00 C ATOM 230 OG SER A 18 -3.609 -1.970 -6.958 1.00 0.00 O ATOM 0 H SER A 18 -1.363 -1.643 -6.245 1.00 0.00 H new ATOM 0 HA SER A 18 -2.860 -1.663 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.743 -2.375 -5.284 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.172 -0.723 -5.416 1.00 0.00 H new ATOM 0 HG SER A 18 -2.763 -2.456 -7.051 1.00 0.00 H new ATOM 236 N VAL A 19 -2.793 -4.088 -3.322 1.00 0.00 N ATOM 237 CA VAL A 19 -2.705 -5.509 -3.034 1.00 0.00 C ATOM 238 C VAL A 19 -4.106 -6.123 -3.078 1.00 0.00 C ATOM 239 O VAL A 19 -5.023 -5.635 -2.419 1.00 0.00 O ATOM 240 CB VAL A 19 -2.000 -5.728 -1.694 1.00 0.00 C ATOM 241 CG1 VAL A 19 -1.810 -7.220 -1.411 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.661 -4.988 -1.652 1.00 0.00 C ATOM 0 H VAL A 19 -3.044 -3.506 -2.523 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.104 -6.015 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.636 -5.317 -0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.307 -7.347 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.783 -7.711 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.205 -7.666 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.180 -5.160 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.017 -5.356 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.831 -3.920 -1.787 1.00 0.00 H new ATOM 252 N VAL A 20 -4.228 -7.184 -3.862 1.00 0.00 N ATOM 253 CA VAL A 20 -5.501 -7.869 -4.002 1.00 0.00 C ATOM 254 C VAL A 20 -5.613 -8.953 -2.928 1.00 0.00 C ATOM 255 O VAL A 20 -4.732 -9.804 -2.807 1.00 0.00 O ATOM 256 CB VAL A 20 -5.649 -8.417 -5.423 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.071 -8.921 -5.673 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.249 -7.366 -6.460 1.00 0.00 C ATOM 0 H VAL A 20 -3.465 -7.586 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.327 -7.174 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.972 -9.265 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.147 -9.305 -6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.304 -9.717 -4.966 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.776 -8.101 -5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.363 -7.781 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.889 -6.490 -6.355 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.210 -7.077 -6.303 1.00 0.00 H new ATOM 268 N SER A 21 -6.702 -8.888 -2.177 1.00 0.00 N ATOM 269 CA SER A 21 -6.940 -9.854 -1.118 1.00 0.00 C ATOM 270 C SER A 21 -7.244 -11.226 -1.720 1.00 0.00 C ATOM 271 O SER A 21 -7.891 -11.322 -2.762 1.00 0.00 O ATOM 272 CB SER A 21 -8.088 -9.406 -0.211 1.00 0.00 C ATOM 273 OG SER A 21 -7.824 -9.683 1.161 1.00 0.00 O ATOM 0 H SER A 21 -7.430 -8.181 -2.281 1.00 0.00 H new ATOM 0 HA SER A 21 -6.038 -9.923 -0.510 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.255 -8.337 -0.339 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.006 -9.910 -0.512 1.00 0.00 H new ATOM 0 HG SER A 21 -8.580 -9.381 1.707 1.00 0.00 H new ATOM 279 N ALA A 22 -6.763 -12.257 -1.039 1.00 0.00 N ATOM 280 CA ALA A 22 -6.975 -13.620 -1.494 1.00 0.00 C ATOM 281 C ALA A 22 -8.357 -14.094 -1.042 1.00 0.00 C ATOM 282 O ALA A 22 -8.941 -14.989 -1.652 1.00 0.00 O ATOM 283 CB ALA A 22 -5.851 -14.514 -0.968 1.00 0.00 C ATOM 0 H ALA A 22 -6.227 -12.175 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.949 -13.670 -2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.010 -15.537 -1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.893 -14.152 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.848 -14.491 0.122 1.00 0.00 H new ATOM 289 N THR A 23 -8.842 -13.473 0.024 1.00 0.00 N ATOM 290 CA THR A 23 -10.145 -13.822 0.564 1.00 0.00 C ATOM 291 C THR A 23 -11.243 -13.014 -0.131 1.00 0.00 C ATOM 292 O THR A 23 -12.418 -13.374 -0.066 1.00 0.00 O ATOM 293 CB THR A 23 -10.100 -13.608 2.080 1.00 0.00 C ATOM 294 OG1 THR A 23 -9.385 -14.739 2.568 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.480 -13.729 2.728 1.00 0.00 C ATOM 0 H THR A 23 -8.356 -12.731 0.528 1.00 0.00 H new ATOM 0 HA THR A 23 -10.385 -14.868 0.375 1.00 0.00 H new ATOM 0 HB THR A 23 -9.683 -12.625 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.307 -14.681 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.393 -13.569 3.803 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.149 -12.980 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.884 -14.724 2.541 1.00 0.00 H new ATOM 303 N GLU A 24 -10.822 -11.940 -0.781 1.00 0.00 N ATOM 304 CA GLU A 24 -11.756 -11.080 -1.488 1.00 0.00 C ATOM 305 C GLU A 24 -11.026 -10.281 -2.571 1.00 0.00 C ATOM 306 O GLU A 24 -10.530 -9.186 -2.311 1.00 0.00 O ATOM 307 CB GLU A 24 -12.485 -10.149 -0.518 1.00 0.00 C ATOM 308 CG GLU A 24 -11.616 -9.836 0.700 1.00 0.00 C ATOM 309 CD GLU A 24 -12.372 -8.961 1.703 1.00 0.00 C ATOM 310 OE1 GLU A 24 -13.484 -8.520 1.345 1.00 0.00 O ATOM 311 OE2 GLU A 24 -11.818 -8.754 2.806 1.00 0.00 O ATOM 0 H GLU A 24 -9.847 -11.645 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.505 -11.708 -1.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.750 -9.223 -1.028 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.417 -10.613 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.310 -10.765 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.706 -9.327 0.381 1.00 0.00 H new ATOM 318 N ARG A 25 -10.984 -10.861 -3.761 1.00 0.00 N ATOM 319 CA ARG A 25 -10.323 -10.217 -4.883 1.00 0.00 C ATOM 320 C ARG A 25 -10.737 -8.747 -4.971 1.00 0.00 C ATOM 321 O ARG A 25 -9.995 -7.919 -5.498 1.00 0.00 O ATOM 322 CB ARG A 25 -10.667 -10.915 -6.200 1.00 0.00 C ATOM 323 CG ARG A 25 -10.178 -12.366 -6.196 1.00 0.00 C ATOM 324 CD ARG A 25 -8.944 -12.531 -7.085 1.00 0.00 C ATOM 325 NE ARG A 25 -8.564 -13.959 -7.161 1.00 0.00 N ATOM 326 CZ ARG A 25 -7.783 -14.478 -8.119 1.00 0.00 C ATOM 327 NH1 ARG A 25 -7.296 -13.689 -9.087 1.00 0.00 N ATOM 328 NH2 ARG A 25 -7.491 -15.786 -8.110 1.00 0.00 N ATOM 0 H ARG A 25 -11.397 -11.769 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.248 -10.286 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.745 -10.891 -6.357 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.212 -10.376 -7.031 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.940 -12.670 -5.177 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.974 -13.023 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.151 -12.147 -8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.116 -11.946 -6.684 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.918 -14.587 -6.440 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.520 -12.694 -9.095 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.702 -14.084 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.863 -16.387 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.897 -16.181 -8.839 1.00 0.00 H new ATOM 342 N THR A 26 -11.921 -8.466 -4.447 1.00 0.00 N ATOM 343 CA THR A 26 -12.443 -7.110 -4.459 1.00 0.00 C ATOM 344 C THR A 26 -11.623 -6.215 -3.527 1.00 0.00 C ATOM 345 O THR A 26 -10.968 -5.277 -3.979 1.00 0.00 O ATOM 346 CB THR A 26 -13.927 -7.171 -4.092 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.581 -7.414 -5.335 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.475 -5.816 -3.641 1.00 0.00 C ATOM 0 H THR A 26 -12.534 -9.155 -4.011 1.00 0.00 H new ATOM 0 HA THR A 26 -12.356 -6.662 -5.449 1.00 0.00 H new ATOM 0 HB THR A 26 -14.075 -7.904 -3.299 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.549 -7.470 -5.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.532 -5.915 -3.393 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.926 -5.476 -2.763 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.358 -5.090 -4.446 1.00 0.00 H new ATOM 356 N GLU A 27 -11.686 -6.536 -2.243 1.00 0.00 N ATOM 357 CA GLU A 27 -10.958 -5.773 -1.244 1.00 0.00 C ATOM 358 C GLU A 27 -9.484 -5.659 -1.634 1.00 0.00 C ATOM 359 O GLU A 27 -8.841 -6.660 -1.947 1.00 0.00 O ATOM 360 CB GLU A 27 -11.112 -6.400 0.144 1.00 0.00 C ATOM 361 CG GLU A 27 -11.939 -5.500 1.064 1.00 0.00 C ATOM 362 CD GLU A 27 -11.039 -4.542 1.846 1.00 0.00 C ATOM 363 OE1 GLU A 27 -10.295 -3.790 1.180 1.00 0.00 O ATOM 364 OE2 GLU A 27 -11.116 -4.581 3.093 1.00 0.00 O ATOM 0 H GLU A 27 -12.230 -7.315 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.381 -4.769 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.592 -7.375 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.128 -6.568 0.582 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.656 -4.930 0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.514 -6.113 1.758 1.00 0.00 H new ATOM 371 N TRP A 28 -8.990 -4.429 -1.602 1.00 0.00 N ATOM 372 CA TRP A 28 -7.603 -4.171 -1.949 1.00 0.00 C ATOM 373 C TRP A 28 -7.086 -3.059 -1.033 1.00 0.00 C ATOM 374 O TRP A 28 -7.835 -2.154 -0.666 1.00 0.00 O ATOM 375 CB TRP A 28 -7.462 -3.836 -3.435 1.00 0.00 C ATOM 376 CG TRP A 28 -7.931 -2.427 -3.802 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.132 -2.051 -4.263 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.154 -1.214 -3.720 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.185 -0.690 -4.483 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.944 -0.164 -4.142 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.827 -1.009 -3.302 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.498 1.162 -4.188 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.396 0.321 -3.354 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.179 1.390 -3.777 1.00 0.00 C ATOM 0 H TRP A 28 -9.526 -3.601 -1.341 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.994 -5.062 -1.793 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.417 -3.947 -3.724 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -8.032 -4.561 -4.016 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.955 -2.728 -4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.987 -0.166 -4.832 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.191 -1.815 -2.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.137 1.966 -4.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.383 0.533 -3.044 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.772 2.390 -3.788 1.00 0.00 H new ATOM 395 N TYR A 29 -5.811 -3.163 -0.690 1.00 0.00 N ATOM 396 CA TYR A 29 -5.185 -2.178 0.175 1.00 0.00 C ATOM 397 C TYR A 29 -3.838 -1.726 -0.392 1.00 0.00 C ATOM 398 O TYR A 29 -3.136 -2.509 -1.030 1.00 0.00 O ATOM 399 CB TYR A 29 -4.952 -2.880 1.514 1.00 0.00 C ATOM 400 CG TYR A 29 -3.538 -3.441 1.684 1.00 0.00 C ATOM 401 CD1 TYR A 29 -3.252 -4.725 1.268 1.00 0.00 C ATOM 402 CD2 TYR A 29 -2.551 -2.663 2.254 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.922 -5.254 1.428 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.221 -3.192 2.414 1.00 0.00 C ATOM 405 CZ TYR A 29 -0.972 -4.461 1.993 1.00 0.00 C ATOM 406 OH TYR A 29 0.284 -4.960 2.144 1.00 0.00 O ATOM 0 H TYR A 29 -5.194 -3.915 -0.996 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.817 -1.295 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.152 -2.176 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.670 -3.694 1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.025 -5.333 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.776 -1.658 2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.684 -6.257 1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.439 -2.594 2.858 1.00 0.00 H new ATOM 0 HH TYR A 29 0.315 -5.877 1.800 1.00 0.00 H new ATOM 416 N PRO A 30 -3.510 -0.432 -0.133 1.00 0.00 N ATOM 417 CA PRO A 30 -2.260 0.133 -0.610 1.00 0.00 C ATOM 418 C PRO A 30 -1.078 -0.369 0.221 1.00 0.00 C ATOM 419 O PRO A 30 -1.223 -0.642 1.412 1.00 0.00 O ATOM 420 CB PRO A 30 -2.450 1.638 -0.523 1.00 0.00 C ATOM 421 CG PRO A 30 -3.614 1.857 0.430 1.00 0.00 C ATOM 422 CD PRO A 30 -4.318 0.524 0.619 1.00 0.00 C ATOM 0 HA PRO A 30 -2.026 -0.167 -1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.547 2.125 -0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.663 2.062 -1.504 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.258 2.240 1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.303 2.599 0.027 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.374 0.252 1.673 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.341 0.560 0.244 1.00 0.00 H new ATOM 430 N ALA A 31 0.066 -0.477 -0.439 1.00 0.00 N ATOM 431 CA ALA A 31 1.272 -0.943 0.224 1.00 0.00 C ATOM 432 C ALA A 31 2.493 -0.534 -0.602 1.00 0.00 C ATOM 433 O ALA A 31 2.495 -0.677 -1.824 1.00 0.00 O ATOM 434 CB ALA A 31 1.188 -2.456 0.433 1.00 0.00 C ATOM 0 H ALA A 31 0.183 -0.250 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 31 1.371 -0.484 1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.093 -2.805 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.321 -2.690 1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.090 -2.952 -0.533 1.00 0.00 H new ATOM 440 N LEU A 32 3.502 -0.035 0.096 1.00 0.00 N ATOM 441 CA LEU A 32 4.726 0.394 -0.557 1.00 0.00 C ATOM 442 C LEU A 32 5.713 -0.774 -0.599 1.00 0.00 C ATOM 443 O LEU A 32 6.363 -1.078 0.399 1.00 0.00 O ATOM 444 CB LEU A 32 5.284 1.647 0.121 1.00 0.00 C ATOM 445 CG LEU A 32 6.470 2.316 -0.578 1.00 0.00 C ATOM 446 CD1 LEU A 32 6.134 2.646 -2.033 1.00 0.00 C ATOM 447 CD2 LEU A 32 6.938 3.549 0.197 1.00 0.00 C ATOM 0 H LEU A 32 3.496 0.082 1.109 1.00 0.00 H new ATOM 0 HA LEU A 32 4.527 0.680 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.480 2.378 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.586 1.384 1.134 1.00 0.00 H new ATOM 0 HG LEU A 32 7.301 1.611 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.994 3.120 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.887 1.728 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.282 3.325 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.781 4.006 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.121 4.268 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.245 3.253 1.200 1.00 0.00 H new ATOM 459 N VAL A 33 5.795 -1.396 -1.766 1.00 0.00 N ATOM 460 CA VAL A 33 6.691 -2.524 -1.952 1.00 0.00 C ATOM 461 C VAL A 33 8.080 -2.157 -1.426 1.00 0.00 C ATOM 462 O VAL A 33 8.470 -0.991 -1.451 1.00 0.00 O ATOM 463 CB VAL A 33 6.702 -2.948 -3.422 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.857 -3.909 -3.708 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.362 -3.565 -3.825 1.00 0.00 C ATOM 0 H VAL A 33 5.255 -1.140 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 33 6.343 -3.386 -1.382 1.00 0.00 H new ATOM 0 HB VAL A 33 6.854 -2.054 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.841 -4.194 -4.760 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.803 -3.419 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.751 -4.800 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.397 -3.858 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.166 -4.443 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.566 -2.835 -3.678 1.00 0.00 H new ATOM 475 N ILE A 34 8.790 -3.175 -0.960 1.00 0.00 N ATOM 476 CA ILE A 34 10.127 -2.975 -0.429 1.00 0.00 C ATOM 477 C ILE A 34 10.848 -4.322 -0.351 1.00 0.00 C ATOM 478 O ILE A 34 10.269 -5.359 -0.671 1.00 0.00 O ATOM 479 CB ILE A 34 10.067 -2.232 0.908 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.934 -2.772 1.784 1.00 0.00 C ATOM 481 CG2 ILE A 34 9.954 -0.722 0.692 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.242 -2.564 3.268 1.00 0.00 C ATOM 0 H ILE A 34 8.463 -4.141 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 34 10.710 -2.339 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 34 11.001 -2.412 1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.001 -2.270 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.789 -3.834 1.584 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.913 -0.218 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.821 -0.368 0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.047 -0.502 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.421 -2.956 3.868 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.163 -3.088 3.525 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.362 -1.499 3.469 1.00 0.00 H new ATOM 494 N SER A 35 12.101 -4.262 0.074 1.00 0.00 N ATOM 495 CA SER A 35 12.907 -5.465 0.196 1.00 0.00 C ATOM 496 C SER A 35 13.294 -5.689 1.660 1.00 0.00 C ATOM 497 O SER A 35 13.493 -4.732 2.407 1.00 0.00 O ATOM 498 CB SER A 35 14.162 -5.380 -0.676 1.00 0.00 C ATOM 499 OG SER A 35 15.087 -6.424 -0.385 1.00 0.00 O ATOM 0 H SER A 35 12.578 -3.400 0.338 1.00 0.00 H new ATOM 0 HA SER A 35 12.313 -6.310 -0.151 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.877 -5.431 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.645 -4.415 -0.523 1.00 0.00 H new ATOM 0 HG SER A 35 15.873 -6.335 -0.964 1.00 0.00 H new ATOM 505 N PRO A 36 13.391 -6.993 2.036 1.00 0.00 N ATOM 506 CA PRO A 36 13.750 -7.355 3.397 1.00 0.00 C ATOM 507 C PRO A 36 15.243 -7.135 3.646 1.00 0.00 C ATOM 508 O PRO A 36 16.040 -8.065 3.526 1.00 0.00 O ATOM 509 CB PRO A 36 13.331 -8.809 3.541 1.00 0.00 C ATOM 510 CG PRO A 36 13.182 -9.342 2.124 1.00 0.00 C ATOM 511 CD PRO A 36 13.163 -8.152 1.178 1.00 0.00 C ATOM 0 HA PRO A 36 13.252 -6.736 4.143 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.077 -9.378 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.393 -8.893 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.007 -10.011 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.263 -9.920 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.938 -8.239 0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.209 -8.077 0.656 1.00 0.00 H new ATOM 519 N SER A 37 15.577 -5.900 3.990 1.00 0.00 N ATOM 520 CA SER A 37 16.962 -5.547 4.257 1.00 0.00 C ATOM 521 C SER A 37 17.276 -5.751 5.741 1.00 0.00 C ATOM 522 O SER A 37 18.149 -6.544 6.091 1.00 0.00 O ATOM 523 CB SER A 37 17.250 -4.101 3.849 1.00 0.00 C ATOM 524 OG SER A 37 18.558 -3.951 3.304 1.00 0.00 O ATOM 0 H SER A 37 14.914 -5.132 4.090 1.00 0.00 H new ATOM 0 HA SER A 37 17.602 -6.199 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 37 16.512 -3.778 3.115 1.00 0.00 H new ATOM 0 HB3 SER A 37 17.142 -3.451 4.717 1.00 0.00 H new ATOM 0 HG SER A 37 18.703 -3.015 3.054 1.00 0.00 H new ATOM 530 N CYS A 38 16.547 -5.022 6.574 1.00 0.00 N ATOM 531 CA CYS A 38 16.737 -5.114 8.011 1.00 0.00 C ATOM 532 C CYS A 38 16.168 -6.452 8.487 1.00 0.00 C ATOM 533 O CYS A 38 16.903 -7.298 8.995 1.00 0.00 O ATOM 534 CB CYS A 38 16.100 -3.930 8.743 1.00 0.00 C ATOM 535 SG CYS A 38 17.003 -3.597 10.298 1.00 0.00 S ATOM 0 H CYS A 38 15.824 -4.365 6.281 1.00 0.00 H new ATOM 0 HA CYS A 38 17.801 -5.070 8.243 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.118 -3.046 8.106 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.054 -4.146 8.959 1.00 0.00 H new ATOM 0 HG CYS A 38 16.456 -2.589 10.910 1.00 0.00 H new ATOM 541 N ASN A 39 14.864 -6.602 8.306 1.00 0.00 N ATOM 542 CA ASN A 39 14.188 -7.823 8.709 1.00 0.00 C ATOM 543 C ASN A 39 14.901 -9.026 8.088 1.00 0.00 C ATOM 544 O ASN A 39 15.198 -9.027 6.895 1.00 0.00 O ATOM 545 CB ASN A 39 12.736 -7.834 8.227 1.00 0.00 C ATOM 546 CG ASN A 39 11.916 -6.751 8.932 1.00 0.00 C ATOM 547 OD1 ASN A 39 12.170 -6.383 10.067 1.00 0.00 O ATOM 548 ND2 ASN A 39 10.921 -6.263 8.198 1.00 0.00 N ATOM 0 H ASN A 39 14.258 -5.898 7.885 1.00 0.00 H new ATOM 0 HA ASN A 39 14.207 -7.874 9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 39 12.706 -7.674 7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.293 -8.812 8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.315 -5.536 8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.763 -6.616 7.254 1.00 0.00 H new ATOM 555 N ASP A 40 15.156 -10.020 8.926 1.00 0.00 N ATOM 556 CA ASP A 40 15.829 -11.225 8.475 1.00 0.00 C ATOM 557 C ASP A 40 14.861 -12.407 8.563 1.00 0.00 C ATOM 558 O ASP A 40 14.628 -13.100 7.572 1.00 0.00 O ATOM 559 CB ASP A 40 17.042 -11.541 9.352 1.00 0.00 C ATOM 560 CG ASP A 40 18.351 -11.757 8.591 1.00 0.00 C ATOM 561 OD1 ASP A 40 18.268 -11.929 7.356 1.00 0.00 O ATOM 562 OD2 ASP A 40 19.406 -11.746 9.262 1.00 0.00 O ATOM 0 H ASP A 40 14.908 -10.015 9.915 1.00 0.00 H new ATOM 0 HA ASP A 40 16.159 -11.063 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.182 -10.725 10.061 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.826 -12.436 9.935 1.00 0.00 H new ATOM 567 N ASP A 41 14.324 -12.604 9.758 1.00 0.00 N ATOM 568 CA ASP A 41 13.387 -13.690 9.988 1.00 0.00 C ATOM 569 C ASP A 41 12.284 -13.640 8.929 1.00 0.00 C ATOM 570 O ASP A 41 11.877 -14.674 8.402 1.00 0.00 O ATOM 571 CB ASP A 41 12.728 -13.567 11.364 1.00 0.00 C ATOM 572 CG ASP A 41 13.406 -14.365 12.479 1.00 0.00 C ATOM 573 OD1 ASP A 41 13.042 -15.551 12.630 1.00 0.00 O ATOM 574 OD2 ASP A 41 14.272 -13.769 13.156 1.00 0.00 O ATOM 0 H ASP A 41 14.520 -12.029 10.578 1.00 0.00 H new ATOM 0 HA ASP A 41 13.939 -14.628 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.711 -12.515 11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.691 -13.892 11.284 1.00 0.00 H new ATOM 579 N ILE A 42 11.832 -12.427 8.649 1.00 0.00 N ATOM 580 CA ILE A 42 10.784 -12.229 7.662 1.00 0.00 C ATOM 581 C ILE A 42 11.120 -13.026 6.400 1.00 0.00 C ATOM 582 O ILE A 42 11.866 -12.554 5.543 1.00 0.00 O ATOM 583 CB ILE A 42 10.564 -10.736 7.406 1.00 0.00 C ATOM 584 CG1 ILE A 42 10.121 -10.020 8.683 1.00 0.00 C ATOM 585 CG2 ILE A 42 9.583 -10.515 6.254 1.00 0.00 C ATOM 586 CD1 ILE A 42 8.658 -10.332 9.005 1.00 0.00 C ATOM 0 H ILE A 42 12.172 -11.571 9.088 1.00 0.00 H new ATOM 0 HA ILE A 42 9.833 -12.609 8.035 1.00 0.00 H new ATOM 0 HB ILE A 42 11.516 -10.298 7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.754 -10.327 9.515 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.250 -8.944 8.565 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.445 -9.446 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.979 -10.970 5.346 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.624 -10.972 6.500 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.367 -9.811 9.917 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.026 -10.001 8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.538 -11.406 9.146 1.00 0.00 H new ATOM 598 N THR A 43 10.553 -14.220 6.325 1.00 0.00 N ATOM 599 CA THR A 43 10.783 -15.088 5.183 1.00 0.00 C ATOM 600 C THR A 43 9.830 -14.729 4.040 1.00 0.00 C ATOM 601 O THR A 43 8.614 -14.854 4.178 1.00 0.00 O ATOM 602 CB THR A 43 10.647 -16.537 5.654 1.00 0.00 C ATOM 603 OG1 THR A 43 11.906 -16.826 6.257 1.00 0.00 O ATOM 604 CG2 THR A 43 10.556 -17.526 4.490 1.00 0.00 C ATOM 0 H THR A 43 9.934 -14.608 7.037 1.00 0.00 H new ATOM 0 HA THR A 43 11.788 -14.955 4.782 1.00 0.00 H new ATOM 0 HB THR A 43 9.761 -16.632 6.281 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.059 -16.212 7.006 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.461 -18.539 4.880 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.685 -17.289 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.457 -17.455 3.881 1.00 0.00 H new ATOM 612 N VAL A 44 10.420 -14.290 2.938 1.00 0.00 N ATOM 613 CA VAL A 44 9.639 -13.912 1.772 1.00 0.00 C ATOM 614 C VAL A 44 9.736 -15.017 0.718 1.00 0.00 C ATOM 615 O VAL A 44 10.818 -15.295 0.204 1.00 0.00 O ATOM 616 CB VAL A 44 10.100 -12.548 1.253 1.00 0.00 C ATOM 617 CG1 VAL A 44 9.409 -12.201 -0.068 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.865 -11.456 2.298 1.00 0.00 C ATOM 0 H VAL A 44 11.429 -14.188 2.828 1.00 0.00 H new ATOM 0 HA VAL A 44 8.587 -13.806 2.035 1.00 0.00 H new ATOM 0 HB VAL A 44 11.172 -12.606 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 44 9.755 -11.227 -0.414 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.650 -12.958 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.330 -12.171 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.201 -10.497 1.904 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.802 -11.399 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.424 -11.692 3.203 1.00 0.00 H new ATOM 628 N LYS A 45 8.590 -15.615 0.427 1.00 0.00 N ATOM 629 CA LYS A 45 8.532 -16.683 -0.557 1.00 0.00 C ATOM 630 C LYS A 45 9.126 -16.188 -1.876 1.00 0.00 C ATOM 631 O LYS A 45 9.367 -14.993 -2.043 1.00 0.00 O ATOM 632 CB LYS A 45 7.104 -17.215 -0.686 1.00 0.00 C ATOM 633 CG LYS A 45 6.832 -18.316 0.342 1.00 0.00 C ATOM 634 CD LYS A 45 6.035 -17.772 1.529 1.00 0.00 C ATOM 635 CE LYS A 45 6.568 -18.331 2.850 1.00 0.00 C ATOM 636 NZ LYS A 45 5.593 -19.271 3.446 1.00 0.00 N ATOM 0 H LYS A 45 7.694 -15.380 0.855 1.00 0.00 H new ATOM 0 HA LYS A 45 9.135 -17.532 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.395 -16.399 -0.546 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.947 -17.605 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.281 -19.130 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.776 -18.732 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.092 -16.684 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.983 -18.035 1.417 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.516 -18.841 2.680 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.765 -17.514 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.970 -19.641 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.697 -18.774 3.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.425 -20.060 2.789 1.00 0.00 H new ATOM 650 N LYS A 46 9.345 -17.130 -2.782 1.00 0.00 N ATOM 651 CA LYS A 46 9.905 -16.804 -4.082 1.00 0.00 C ATOM 652 C LYS A 46 8.886 -15.992 -4.883 1.00 0.00 C ATOM 653 O LYS A 46 9.261 -15.142 -5.689 1.00 0.00 O ATOM 654 CB LYS A 46 10.378 -18.074 -4.794 1.00 0.00 C ATOM 655 CG LYS A 46 11.690 -17.826 -5.542 1.00 0.00 C ATOM 656 CD LYS A 46 11.434 -17.569 -7.028 1.00 0.00 C ATOM 657 CE LYS A 46 12.690 -17.845 -7.857 1.00 0.00 C ATOM 658 NZ LYS A 46 12.396 -18.809 -8.940 1.00 0.00 N ATOM 0 H LYS A 46 9.144 -18.120 -2.641 1.00 0.00 H new ATOM 0 HA LYS A 46 10.791 -16.180 -3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.516 -18.874 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.613 -18.409 -5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 46 12.206 -16.971 -5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.347 -18.688 -5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.618 -18.203 -7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.118 -16.536 -7.173 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.063 -16.914 -8.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.477 -18.240 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.260 -18.985 -9.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.061 -19.703 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.660 -18.418 -9.563 1.00 0.00 H new ATOM 672 N ASP A 47 7.618 -16.284 -4.634 1.00 0.00 N ATOM 673 CA ASP A 47 6.543 -15.590 -5.322 1.00 0.00 C ATOM 674 C ASP A 47 5.924 -14.555 -4.381 1.00 0.00 C ATOM 675 O ASP A 47 4.766 -14.173 -4.546 1.00 0.00 O ATOM 676 CB ASP A 47 5.439 -16.565 -5.742 1.00 0.00 C ATOM 677 CG ASP A 47 5.653 -17.236 -7.101 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.190 -16.649 -8.103 1.00 0.00 O ATOM 679 OD2 ASP A 47 6.274 -18.321 -7.106 1.00 0.00 O ATOM 0 H ASP A 47 7.311 -16.991 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 47 6.962 -15.114 -6.208 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.350 -17.340 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.490 -16.029 -5.763 1.00 0.00 H new ATOM 684 N GLN A 48 6.724 -14.128 -3.414 1.00 0.00 N ATOM 685 CA GLN A 48 6.270 -13.144 -2.446 1.00 0.00 C ATOM 686 C GLN A 48 7.248 -11.969 -2.387 1.00 0.00 C ATOM 687 O GLN A 48 8.388 -12.082 -2.832 1.00 0.00 O ATOM 688 CB GLN A 48 6.088 -13.777 -1.066 1.00 0.00 C ATOM 689 CG GLN A 48 4.745 -14.506 -0.969 1.00 0.00 C ATOM 690 CD GLN A 48 4.451 -14.923 0.473 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.115 -14.516 1.413 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.421 -15.755 0.596 1.00 0.00 N ATOM 0 H GLN A 48 7.684 -14.446 -3.281 1.00 0.00 H new ATOM 0 HA GLN A 48 5.299 -12.767 -2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.901 -14.477 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.143 -13.005 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.948 -13.858 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.758 -15.387 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.908 -16.057 -0.232 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.144 -16.091 1.518 1.00 0.00 H new ATOM 701 N CYS A 49 6.765 -10.867 -1.832 1.00 0.00 N ATOM 702 CA CYS A 49 7.582 -9.672 -1.708 1.00 0.00 C ATOM 703 C CYS A 49 7.096 -8.883 -0.490 1.00 0.00 C ATOM 704 O CYS A 49 5.923 -8.952 -0.128 1.00 0.00 O ATOM 705 CB CYS A 49 7.548 -8.828 -2.984 1.00 0.00 C ATOM 706 SG CYS A 49 9.247 -8.588 -3.620 1.00 0.00 S ATOM 0 H CYS A 49 5.818 -10.777 -1.463 1.00 0.00 H new ATOM 0 HA CYS A 49 8.625 -9.955 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.934 -9.319 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.088 -7.862 -2.779 1.00 0.00 H new ATOM 0 HG CYS A 49 9.207 -7.872 -4.705 1.00 0.00 H new ATOM 712 N LEU A 50 8.025 -8.151 0.109 1.00 0.00 N ATOM 713 CA LEU A 50 7.707 -7.351 1.279 1.00 0.00 C ATOM 714 C LEU A 50 7.168 -5.991 0.830 1.00 0.00 C ATOM 715 O LEU A 50 7.682 -5.398 -0.119 1.00 0.00 O ATOM 716 CB LEU A 50 8.918 -7.255 2.208 1.00 0.00 C ATOM 717 CG LEU A 50 8.723 -6.430 3.482 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.597 -7.009 4.342 1.00 0.00 C ATOM 719 CD2 LEU A 50 10.034 -6.307 4.262 1.00 0.00 C ATOM 0 H LEU A 50 8.997 -8.096 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 50 6.922 -7.829 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.212 -8.265 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.749 -6.828 1.646 1.00 0.00 H new ATOM 0 HG LEU A 50 8.424 -5.422 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.479 -6.405 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.666 -7.002 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.843 -8.033 4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.867 -5.716 5.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.387 -7.300 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.783 -5.817 3.640 1.00 0.00 H new ATOM 731 N VAL A 51 6.141 -5.536 1.531 1.00 0.00 N ATOM 732 CA VAL A 51 5.527 -4.257 1.217 1.00 0.00 C ATOM 733 C VAL A 51 5.278 -3.482 2.512 1.00 0.00 C ATOM 734 O VAL A 51 5.321 -4.055 3.600 1.00 0.00 O ATOM 735 CB VAL A 51 4.253 -4.475 0.398 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.536 -5.334 -0.837 1.00 0.00 C ATOM 737 CG2 VAL A 51 3.149 -5.096 1.256 1.00 0.00 C ATOM 0 H VAL A 51 5.718 -6.030 2.316 1.00 0.00 H new ATOM 0 HA VAL A 51 6.195 -3.655 0.602 1.00 0.00 H new ATOM 0 HB VAL A 51 3.903 -3.501 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.614 -5.474 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.274 -4.836 -1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.921 -6.305 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.255 -5.240 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.486 -6.059 1.641 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.919 -4.432 2.089 1.00 0.00 H new ATOM 747 N ARG A 52 5.025 -2.192 2.354 1.00 0.00 N ATOM 748 CA ARG A 52 4.771 -1.332 3.497 1.00 0.00 C ATOM 749 C ARG A 52 3.365 -0.732 3.407 1.00 0.00 C ATOM 750 O ARG A 52 3.104 0.119 2.559 1.00 0.00 O ATOM 751 CB ARG A 52 5.797 -0.201 3.576 1.00 0.00 C ATOM 752 CG ARG A 52 6.019 0.238 5.025 1.00 0.00 C ATOM 753 CD ARG A 52 7.496 0.539 5.287 1.00 0.00 C ATOM 754 NE ARG A 52 7.716 0.776 6.731 1.00 0.00 N ATOM 755 CZ ARG A 52 8.866 1.223 7.252 1.00 0.00 C ATOM 756 NH1 ARG A 52 9.908 1.485 6.450 1.00 0.00 N ATOM 757 NH2 ARG A 52 8.976 1.409 8.574 1.00 0.00 N ATOM 0 H ARG A 52 4.990 -1.720 1.450 1.00 0.00 H new ATOM 0 HA ARG A 52 4.853 -1.943 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.741 -0.531 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.455 0.647 2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.421 1.124 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.678 -0.545 5.702 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.111 -0.295 4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.804 1.414 4.715 1.00 0.00 H new ATOM 0 HE ARG A 52 6.943 0.587 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.825 1.344 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.784 1.825 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.184 1.210 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.852 1.749 8.970 1.00 0.00 H new ATOM 771 N SER A 53 2.499 -1.199 4.294 1.00 0.00 N ATOM 772 CA SER A 53 1.129 -0.720 4.325 1.00 0.00 C ATOM 773 C SER A 53 1.104 0.777 4.644 1.00 0.00 C ATOM 774 O SER A 53 2.026 1.295 5.273 1.00 0.00 O ATOM 775 CB SER A 53 0.297 -1.494 5.350 1.00 0.00 C ATOM 776 OG SER A 53 -1.091 -1.180 5.259 1.00 0.00 O ATOM 0 H SER A 53 2.720 -1.904 4.997 1.00 0.00 H new ATOM 0 HA SER A 53 0.688 -0.883 3.341 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.437 -2.564 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.655 -1.266 6.354 1.00 0.00 H new ATOM 0 HG SER A 53 -1.471 -1.606 4.463 1.00 0.00 H new ATOM 782 N PHE A 54 0.042 1.428 4.196 1.00 0.00 N ATOM 783 CA PHE A 54 -0.113 2.855 4.425 1.00 0.00 C ATOM 784 C PHE A 54 -1.267 3.132 5.391 1.00 0.00 C ATOM 785 O PHE A 54 -1.697 4.275 5.538 1.00 0.00 O ATOM 786 CB PHE A 54 -0.433 3.493 3.073 1.00 0.00 C ATOM 787 CG PHE A 54 0.796 3.738 2.195 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.668 4.733 2.508 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.016 2.961 1.100 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.809 4.960 1.694 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.157 3.188 0.285 1.00 0.00 C ATOM 792 CZ PHE A 54 3.030 4.183 0.599 1.00 0.00 C ATOM 0 H PHE A 54 -0.720 0.994 3.675 1.00 0.00 H new ATOM 0 HA PHE A 54 0.799 3.263 4.862 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.129 2.850 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.942 4.442 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.493 5.351 3.376 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.323 2.171 0.850 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.502 5.750 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.331 2.571 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.898 4.356 -0.020 1.00 0.00 H new ATOM 802 N ILE A 55 -1.735 2.067 6.026 1.00 0.00 N ATOM 803 CA ILE A 55 -2.829 2.181 6.974 1.00 0.00 C ATOM 804 C ILE A 55 -2.271 2.155 8.398 1.00 0.00 C ATOM 805 O ILE A 55 -2.376 3.139 9.128 1.00 0.00 O ATOM 806 CB ILE A 55 -3.884 1.105 6.707 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.517 1.288 5.325 1.00 0.00 C ATOM 808 CG2 ILE A 55 -4.934 1.078 7.819 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.437 0.115 4.985 1.00 0.00 C ATOM 0 H ILE A 55 -1.376 1.121 5.902 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.341 3.135 6.850 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.389 0.134 6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.084 2.219 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.735 1.372 4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.672 0.305 7.604 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.450 0.863 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.430 2.047 7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.874 0.269 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.862 -0.811 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.232 0.049 5.728 1.00 0.00 H new ATOM 821 N ASP A 56 -1.688 1.017 8.749 1.00 0.00 N ATOM 822 CA ASP A 56 -1.113 0.850 10.073 1.00 0.00 C ATOM 823 C ASP A 56 0.413 0.896 9.970 1.00 0.00 C ATOM 824 O ASP A 56 1.106 0.921 10.986 1.00 0.00 O ATOM 825 CB ASP A 56 -1.505 -0.500 10.677 1.00 0.00 C ATOM 826 CG ASP A 56 -1.213 -0.648 12.172 1.00 0.00 C ATOM 827 OD1 ASP A 56 -1.317 0.379 12.875 1.00 0.00 O ATOM 828 OD2 ASP A 56 -0.893 -1.787 12.577 1.00 0.00 O ATOM 0 H ASP A 56 -1.602 0.203 8.140 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.489 1.652 10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.571 -0.659 10.513 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.978 -1.288 10.139 1.00 0.00 H new ATOM 833 N SER A 57 0.891 0.906 8.734 1.00 0.00 N ATOM 834 CA SER A 57 2.322 0.948 8.486 1.00 0.00 C ATOM 835 C SER A 57 2.983 -0.326 9.013 1.00 0.00 C ATOM 836 O SER A 57 3.981 -0.263 9.728 1.00 0.00 O ATOM 837 CB SER A 57 2.957 2.181 9.132 1.00 0.00 C ATOM 838 OG SER A 57 4.374 2.189 8.989 1.00 0.00 O ATOM 0 H SER A 57 0.313 0.886 7.894 1.00 0.00 H new ATOM 0 HA SER A 57 2.480 1.013 7.409 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.542 3.082 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.699 2.209 10.191 1.00 0.00 H new ATOM 0 HG SER A 57 4.742 1.346 9.329 1.00 0.00 H new ATOM 844 N LYS A 58 2.399 -1.456 8.638 1.00 0.00 N ATOM 845 CA LYS A 58 2.919 -2.744 9.065 1.00 0.00 C ATOM 846 C LYS A 58 3.589 -3.437 7.876 1.00 0.00 C ATOM 847 O LYS A 58 3.321 -3.099 6.724 1.00 0.00 O ATOM 848 CB LYS A 58 1.815 -3.576 9.721 1.00 0.00 C ATOM 849 CG LYS A 58 1.546 -3.100 11.150 1.00 0.00 C ATOM 850 CD LYS A 58 2.381 -3.891 12.158 1.00 0.00 C ATOM 851 CE LYS A 58 1.752 -5.258 12.439 1.00 0.00 C ATOM 852 NZ LYS A 58 0.761 -5.157 13.533 1.00 0.00 N ATOM 0 H LYS A 58 1.572 -1.506 8.044 1.00 0.00 H new ATOM 0 HA LYS A 58 3.684 -2.613 9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.901 -3.503 9.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.104 -4.627 9.732 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.779 -2.038 11.233 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.487 -3.213 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.392 -4.024 11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.465 -3.328 13.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.270 -5.635 11.537 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.529 -5.974 12.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.344 -6.093 13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.231 -4.817 14.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.011 -4.490 13.262 1.00 0.00 H new ATOM 866 N PHE A 59 4.446 -4.395 8.197 1.00 0.00 N ATOM 867 CA PHE A 59 5.155 -5.139 7.170 1.00 0.00 C ATOM 868 C PHE A 59 4.419 -6.435 6.824 1.00 0.00 C ATOM 869 O PHE A 59 4.370 -7.359 7.632 1.00 0.00 O ATOM 870 CB PHE A 59 6.533 -5.486 7.740 1.00 0.00 C ATOM 871 CG PHE A 59 7.507 -4.306 7.773 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.178 -3.946 6.646 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.702 -3.617 8.930 1.00 0.00 C ATOM 874 CE1 PHE A 59 9.083 -2.852 6.677 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.606 -2.523 8.960 1.00 0.00 C ATOM 876 CZ PHE A 59 9.277 -2.163 7.834 1.00 0.00 C ATOM 0 H PHE A 59 4.665 -4.673 9.154 1.00 0.00 H new ATOM 0 HA PHE A 59 5.228 -4.541 6.262 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.410 -5.871 8.752 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.970 -6.288 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 59 8.023 -4.492 5.727 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.169 -3.902 9.825 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.617 -2.567 5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.761 -1.976 9.878 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.964 -1.330 7.858 1.00 0.00 H new ATOM 886 N TYR A 60 3.864 -6.458 5.621 1.00 0.00 N ATOM 887 CA TYR A 60 3.133 -7.626 5.158 1.00 0.00 C ATOM 888 C TYR A 60 3.861 -8.303 3.995 1.00 0.00 C ATOM 889 O TYR A 60 4.627 -7.661 3.279 1.00 0.00 O ATOM 890 CB TYR A 60 1.781 -7.107 4.665 1.00 0.00 C ATOM 891 CG TYR A 60 0.865 -6.598 5.780 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.111 -7.491 6.515 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.793 -5.247 6.051 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.750 -7.011 7.564 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.069 -4.768 7.100 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.798 -5.674 7.805 1.00 0.00 C ATOM 897 OH TYR A 60 -1.612 -5.221 8.796 1.00 0.00 O ATOM 0 H TYR A 60 3.906 -5.688 4.954 1.00 0.00 H new ATOM 0 HA TYR A 60 3.034 -8.360 5.958 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.951 -6.300 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.271 -7.906 4.126 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.167 -8.549 6.303 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.383 -4.549 5.476 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.345 -7.698 8.147 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.135 -3.713 7.322 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.543 -4.245 8.855 1.00 0.00 H new ATOM 907 N SER A 61 3.595 -9.593 3.843 1.00 0.00 N ATOM 908 CA SER A 61 4.214 -10.364 2.780 1.00 0.00 C ATOM 909 C SER A 61 3.141 -10.923 1.844 1.00 0.00 C ATOM 910 O SER A 61 2.500 -11.925 2.157 1.00 0.00 O ATOM 911 CB SER A 61 5.066 -11.501 3.348 1.00 0.00 C ATOM 912 OG SER A 61 4.588 -11.943 4.616 1.00 0.00 O ATOM 0 H SER A 61 2.959 -10.123 4.439 1.00 0.00 H new ATOM 0 HA SER A 61 4.870 -9.701 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.067 -12.337 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.099 -11.166 3.446 1.00 0.00 H new ATOM 0 HG SER A 61 5.157 -12.670 4.945 1.00 0.00 H new ATOM 918 N ILE A 62 2.978 -10.250 0.714 1.00 0.00 N ATOM 919 CA ILE A 62 1.992 -10.667 -0.269 1.00 0.00 C ATOM 920 C ILE A 62 2.711 -11.173 -1.521 1.00 0.00 C ATOM 921 O ILE A 62 3.939 -11.158 -1.586 1.00 0.00 O ATOM 922 CB ILE A 62 1.000 -9.536 -0.545 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.267 -8.337 0.367 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.443 -10.033 -0.431 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.096 -8.719 1.839 1.00 0.00 C ATOM 0 H ILE A 62 3.512 -9.420 0.457 1.00 0.00 H new ATOM 0 HA ILE A 62 1.397 -11.495 0.115 1.00 0.00 H new ATOM 0 HB ILE A 62 1.144 -9.198 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.278 -7.966 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.584 -7.526 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.128 -9.210 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.612 -10.830 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.618 -10.414 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.291 -7.849 2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.077 -9.067 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.798 -9.514 2.093 1.00 0.00 H new ATOM 937 N ALA A 63 1.915 -11.611 -2.486 1.00 0.00 N ATOM 938 CA ALA A 63 2.459 -12.122 -3.732 1.00 0.00 C ATOM 939 C ALA A 63 2.364 -11.037 -4.807 1.00 0.00 C ATOM 940 O ALA A 63 1.337 -10.371 -4.934 1.00 0.00 O ATOM 941 CB ALA A 63 1.718 -13.400 -4.127 1.00 0.00 C ATOM 0 H ALA A 63 0.897 -11.622 -2.429 1.00 0.00 H new ATOM 0 HA ALA A 63 3.512 -12.379 -3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.126 -13.783 -5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.840 -14.148 -3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.658 -13.181 -4.257 1.00 0.00 H new ATOM 947 N ARG A 64 3.449 -10.892 -5.554 1.00 0.00 N ATOM 948 CA ARG A 64 3.502 -9.899 -6.614 1.00 0.00 C ATOM 949 C ARG A 64 2.355 -10.118 -7.603 1.00 0.00 C ATOM 950 O ARG A 64 2.019 -9.223 -8.377 1.00 0.00 O ATOM 951 CB ARG A 64 4.833 -9.966 -7.364 1.00 0.00 C ATOM 952 CG ARG A 64 6.003 -9.634 -6.435 1.00 0.00 C ATOM 953 CD ARG A 64 6.381 -8.154 -6.534 1.00 0.00 C ATOM 954 NE ARG A 64 7.287 -7.939 -7.685 1.00 0.00 N ATOM 955 CZ ARG A 64 7.987 -6.815 -7.889 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.889 -5.798 -7.022 1.00 0.00 N ATOM 957 NH2 ARG A 64 8.784 -6.708 -8.961 1.00 0.00 N ATOM 0 H ARG A 64 4.299 -11.446 -5.446 1.00 0.00 H new ATOM 0 HA ARG A 64 3.407 -8.916 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.968 -10.963 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.819 -9.268 -8.201 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.735 -9.876 -5.407 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.864 -10.251 -6.694 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.483 -7.548 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.867 -7.832 -5.613 1.00 0.00 H new ATOM 0 HE ARG A 64 7.384 -8.693 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.281 -5.880 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.422 -4.942 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.857 -7.482 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.317 -5.852 -9.117 1.00 0.00 H new ATOM 971 N LYS A 65 1.786 -11.314 -7.545 1.00 0.00 N ATOM 972 CA LYS A 65 0.684 -11.660 -8.426 1.00 0.00 C ATOM 973 C LYS A 65 -0.613 -11.073 -7.868 1.00 0.00 C ATOM 974 O LYS A 65 -1.624 -11.015 -8.569 1.00 0.00 O ATOM 975 CB LYS A 65 0.630 -13.175 -8.644 1.00 0.00 C ATOM 976 CG LYS A 65 0.425 -13.912 -7.320 1.00 0.00 C ATOM 977 CD LYS A 65 -0.492 -15.123 -7.502 1.00 0.00 C ATOM 978 CE LYS A 65 -1.962 -14.700 -7.515 1.00 0.00 C ATOM 979 NZ LYS A 65 -2.540 -14.875 -8.866 1.00 0.00 N ATOM 0 H LYS A 65 2.068 -12.054 -6.902 1.00 0.00 H new ATOM 0 HA LYS A 65 0.833 -11.223 -9.413 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.182 -13.419 -9.329 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.555 -13.512 -9.112 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.389 -14.237 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.006 -13.233 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.248 -15.632 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.322 -15.837 -6.696 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.524 -15.293 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.049 -13.658 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.266 -14.149 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.789 -14.781 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.971 -15.819 -8.940 1.00 0.00 H new ATOM 993 N ASP A 66 -0.544 -10.651 -6.615 1.00 0.00 N ATOM 994 CA ASP A 66 -1.701 -10.068 -5.956 1.00 0.00 C ATOM 995 C ASP A 66 -1.629 -8.544 -6.061 1.00 0.00 C ATOM 996 O ASP A 66 -2.627 -7.856 -5.850 1.00 0.00 O ATOM 997 CB ASP A 66 -1.734 -10.439 -4.472 1.00 0.00 C ATOM 998 CG ASP A 66 -1.209 -11.838 -4.143 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.530 -12.763 -4.921 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.498 -11.952 -3.121 1.00 0.00 O ATOM 0 H ASP A 66 0.295 -10.701 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.596 -10.453 -6.444 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.147 -9.707 -3.917 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.761 -10.360 -4.116 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.439 -8.060 -6.386 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.224 -6.630 -6.522 1.00 0.00 C ATOM 1007 C ILE A 67 -0.532 -6.206 -7.959 1.00 0.00 C ATOM 1008 O ILE A 67 -0.497 -7.027 -8.874 1.00 0.00 O ATOM 1009 CB ILE A 67 1.185 -6.254 -6.058 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.444 -6.748 -4.633 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.423 -4.749 -6.194 1.00 0.00 C ATOM 1012 CD1 ILE A 67 2.944 -6.855 -4.354 1.00 0.00 C ATOM 0 H ILE A 67 0.387 -8.634 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.906 -6.079 -5.874 1.00 0.00 H new ATOM 0 HB ILE A 67 1.903 -6.754 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.985 -6.064 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.974 -7.721 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.431 -4.508 -5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.309 -4.455 -7.237 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.699 -4.209 -5.584 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.100 -7.208 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.395 -7.558 -5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.407 -5.876 -4.474 1.00 0.00 H new ATOM 1024 N LYS A 68 -0.827 -4.923 -8.113 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.141 -4.380 -9.424 1.00 0.00 C ATOM 1026 C LYS A 68 -1.162 -2.853 -9.346 1.00 0.00 C ATOM 1027 O LYS A 68 -1.730 -2.282 -8.416 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.440 -4.986 -9.957 1.00 0.00 C ATOM 1029 CG LYS A 68 -3.552 -4.912 -8.909 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.461 -3.706 -9.157 1.00 0.00 C ATOM 1031 CE LYS A 68 -5.623 -4.077 -10.080 1.00 0.00 C ATOM 1032 NZ LYS A 68 -6.467 -2.892 -10.351 1.00 0.00 N ATOM 0 H LYS A 68 -0.855 -4.244 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.370 -4.653 -10.144 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.749 -4.456 -10.858 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.271 -6.025 -10.240 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.142 -5.828 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.114 -4.843 -7.913 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.849 -3.337 -8.208 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.883 -2.896 -9.601 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.237 -4.478 -11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.224 -4.862 -9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.251 -3.161 -10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.850 -2.526 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.894 -2.155 -10.809 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.534 -2.233 -10.335 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.474 -0.782 -10.392 1.00 0.00 C ATOM 1048 C GLU A 69 -1.801 -0.177 -9.929 1.00 0.00 C ATOM 1049 O GLU A 69 -2.859 -0.775 -10.121 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.112 -0.302 -11.798 1.00 0.00 C ATOM 1051 CG GLU A 69 1.392 -0.052 -11.922 1.00 0.00 C ATOM 1052 CD GLU A 69 1.917 -0.529 -13.279 1.00 0.00 C ATOM 1053 OE1 GLU A 69 1.788 -1.744 -13.541 1.00 0.00 O ATOM 1054 OE2 GLU A 69 2.434 0.333 -14.021 1.00 0.00 O ATOM 0 H GLU A 69 -0.062 -2.710 -11.104 1.00 0.00 H new ATOM 0 HA GLU A 69 0.312 -0.444 -9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.422 -1.046 -12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.656 0.615 -12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.599 1.011 -11.801 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.918 -0.572 -11.121 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.701 1.000 -9.332 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.881 1.693 -8.841 1.00 0.00 C ATOM 1063 C VAL A 70 -2.677 3.202 -8.985 1.00 0.00 C ATOM 1064 O VAL A 70 -1.552 3.666 -9.165 1.00 0.00 O ATOM 1065 CB VAL A 70 -3.180 1.265 -7.403 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -2.204 1.918 -6.422 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.629 1.578 -7.027 1.00 0.00 C ATOM 0 H VAL A 70 -0.821 1.493 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.755 1.424 -9.434 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.045 0.185 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.439 1.597 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.185 1.621 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.292 3.002 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.814 1.264 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.804 2.650 -7.116 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.302 1.044 -7.697 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.783 3.927 -8.901 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.740 5.375 -9.019 1.00 0.00 C ATOM 1079 C ASP A 71 -4.274 6.003 -7.730 1.00 0.00 C ATOM 1080 O ASP A 71 -5.442 6.382 -7.656 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.614 5.859 -10.177 1.00 0.00 C ATOM 1082 CG ASP A 71 -3.847 6.441 -11.366 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -2.630 6.666 -11.200 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -4.497 6.649 -12.415 1.00 0.00 O ATOM 0 H ASP A 71 -4.714 3.539 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.706 5.668 -9.200 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.220 5.024 -10.528 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.302 6.617 -9.801 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.392 6.096 -6.745 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.759 6.673 -5.463 1.00 0.00 C ATOM 1091 C ILE A 72 -3.742 8.198 -5.571 1.00 0.00 C ATOM 1092 O ILE A 72 -4.615 8.873 -5.027 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.861 6.125 -4.352 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.815 4.595 -4.389 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.297 6.652 -2.985 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -4.192 4.013 -4.714 1.00 0.00 C ATOM 0 H ILE A 72 -2.424 5.781 -6.809 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.774 6.384 -5.192 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.846 6.482 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.092 4.267 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.473 4.214 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.642 6.247 -2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.236 7.740 -2.978 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.324 6.345 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.132 2.925 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.907 4.323 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.520 4.376 -5.688 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.738 8.698 -6.278 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.596 10.132 -6.464 1.00 0.00 C ATOM 1110 C LEU A 73 -3.630 10.615 -7.483 1.00 0.00 C ATOM 1111 O LEU A 73 -3.719 11.809 -7.764 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.154 10.484 -6.837 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.510 11.615 -6.033 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.554 12.339 -6.861 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.571 12.578 -5.497 1.00 0.00 C ATOM 0 H LEU A 73 -2.016 8.136 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.797 10.659 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.542 9.590 -6.723 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.129 10.755 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.006 11.178 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.996 13.138 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.331 11.632 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.094 12.763 -7.754 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.087 13.373 -4.929 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.123 13.012 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.260 12.036 -4.849 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.385 9.661 -8.009 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.409 9.974 -8.992 1.00 0.00 C ATOM 1129 C ASN A 74 -6.789 9.826 -8.348 1.00 0.00 C ATOM 1130 O ASN A 74 -7.801 10.174 -8.954 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.339 9.018 -10.184 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.295 9.792 -11.504 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.311 10.145 -12.080 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -4.065 10.032 -11.950 1.00 0.00 N ATOM 0 H ASN A 74 -4.308 8.672 -7.773 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.244 10.994 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.454 8.388 -10.098 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.204 8.355 -10.175 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.930 10.540 -12.824 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.257 9.708 -11.418 1.00 0.00 H new ATOM 1141 N LEU A 75 -6.786 9.311 -7.127 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.024 9.112 -6.396 1.00 0.00 C ATOM 1143 C LEU A 75 -8.624 10.474 -6.038 1.00 0.00 C ATOM 1144 O LEU A 75 -7.910 11.474 -5.977 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.793 8.206 -5.185 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.800 6.701 -5.463 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.213 5.922 -4.284 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.206 6.218 -5.826 1.00 0.00 C ATOM 0 H LEU A 75 -5.945 9.026 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.754 8.594 -7.018 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.834 8.468 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.561 8.422 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.160 6.510 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.230 4.855 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.185 6.241 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.806 6.114 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.184 5.145 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.886 6.424 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.551 6.740 -6.719 1.00 0.00 H new ATOM 1160 N PRO A 76 -9.964 10.469 -5.805 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.667 11.691 -5.454 1.00 0.00 C ATOM 1162 C PRO A 76 -10.381 12.092 -4.006 1.00 0.00 C ATOM 1163 O PRO A 76 -10.101 11.239 -3.166 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.134 11.388 -5.708 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.245 9.872 -5.745 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.841 9.303 -5.867 1.00 0.00 C ATOM 0 HA PRO A 76 -10.343 12.547 -6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.761 11.807 -4.921 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.467 11.827 -6.648 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.729 9.503 -4.841 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.860 9.555 -6.588 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.626 8.602 -5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.713 8.760 -6.804 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.464 13.391 -3.758 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.218 13.916 -2.425 1.00 0.00 C ATOM 1176 C GLU A 77 -11.183 13.285 -1.420 1.00 0.00 C ATOM 1177 O GLU A 77 -10.924 13.292 -0.217 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.328 15.441 -2.408 1.00 0.00 C ATOM 1179 CG GLU A 77 -8.948 16.092 -2.529 1.00 0.00 C ATOM 1180 CD GLU A 77 -8.825 16.876 -3.838 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -9.554 17.883 -3.967 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -8.004 16.450 -4.678 1.00 0.00 O ATOM 0 H GLU A 77 -10.698 14.096 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.200 13.655 -2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.964 15.772 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.807 15.764 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.781 16.760 -1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.175 15.325 -2.486 1.00 0.00 H new ATOM 1189 N SER A 78 -12.276 12.755 -1.949 1.00 0.00 N ATOM 1190 CA SER A 78 -13.282 12.122 -1.114 1.00 0.00 C ATOM 1191 C SER A 78 -12.735 10.814 -0.538 1.00 0.00 C ATOM 1192 O SER A 78 -12.914 10.530 0.645 1.00 0.00 O ATOM 1193 CB SER A 78 -14.567 11.860 -1.900 1.00 0.00 C ATOM 1194 OG SER A 78 -15.727 12.269 -1.181 1.00 0.00 O ATOM 0 H SER A 78 -12.487 12.751 -2.947 1.00 0.00 H new ATOM 0 HA SER A 78 -13.523 12.800 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.524 12.391 -2.851 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.640 10.797 -2.131 1.00 0.00 H new ATOM 0 HG SER A 78 -16.526 12.086 -1.718 1.00 0.00 H new ATOM 1200 N GLU A 79 -12.080 10.052 -1.403 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.506 8.781 -0.994 1.00 0.00 C ATOM 1202 C GLU A 79 -10.308 9.011 -0.072 1.00 0.00 C ATOM 1203 O GLU A 79 -10.190 8.367 0.970 1.00 0.00 O ATOM 1204 CB GLU A 79 -11.108 7.945 -2.212 1.00 0.00 C ATOM 1205 CG GLU A 79 -12.341 7.359 -2.903 1.00 0.00 C ATOM 1206 CD GLU A 79 -13.230 6.620 -1.901 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -12.659 5.876 -1.075 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -14.463 6.814 -1.984 1.00 0.00 O ATOM 0 H GLU A 79 -11.934 10.290 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.262 8.223 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.552 8.564 -2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.443 7.139 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.910 8.158 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.030 6.675 -3.692 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.451 9.932 -0.485 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.266 10.255 0.292 1.00 0.00 C ATOM 1217 C LEU A 80 -8.690 10.871 1.627 1.00 0.00 C ATOM 1218 O LEU A 80 -8.307 10.383 2.689 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.317 11.138 -0.520 1.00 0.00 C ATOM 1220 CG LEU A 80 -7.039 10.683 -1.954 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.116 11.669 -2.673 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.486 9.257 -1.980 1.00 0.00 C ATOM 0 H LEU A 80 -9.553 10.466 -1.348 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.703 9.351 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.730 12.146 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.367 11.200 0.011 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.984 10.671 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.934 11.322 -3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.586 12.652 -2.703 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.169 11.737 -2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.297 8.959 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.555 9.217 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.211 8.577 -1.533 1.00 0.00 H new ATOM 1234 N SER A 81 -9.474 11.935 1.528 1.00 0.00 N ATOM 1235 CA SER A 81 -9.953 12.623 2.714 1.00 0.00 C ATOM 1236 C SER A 81 -10.482 11.610 3.730 1.00 0.00 C ATOM 1237 O SER A 81 -10.509 11.883 4.930 1.00 0.00 O ATOM 1238 CB SER A 81 -11.042 13.638 2.360 1.00 0.00 C ATOM 1239 OG SER A 81 -11.560 14.292 3.516 1.00 0.00 O ATOM 0 H SER A 81 -9.789 12.337 0.645 1.00 0.00 H new ATOM 0 HA SER A 81 -9.117 13.166 3.155 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.635 14.382 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.853 13.132 1.836 1.00 0.00 H new ATOM 0 HG SER A 81 -12.251 14.933 3.247 1.00 0.00 H new ATOM 1245 N THR A 82 -10.889 10.460 3.213 1.00 0.00 N ATOM 1246 CA THR A 82 -11.416 9.403 4.060 1.00 0.00 C ATOM 1247 C THR A 82 -10.394 8.273 4.201 1.00 0.00 C ATOM 1248 O THR A 82 -9.596 8.266 5.139 1.00 0.00 O ATOM 1249 CB THR A 82 -12.750 8.944 3.469 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.405 8.438 2.183 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.691 10.113 3.170 1.00 0.00 C ATOM 0 H THR A 82 -10.865 10.237 2.218 1.00 0.00 H new ATOM 0 HA THR A 82 -11.599 9.762 5.073 1.00 0.00 H new ATOM 0 HB THR A 82 -13.235 8.255 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.756 9.037 1.491 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.623 9.732 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.901 10.656 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.220 10.785 2.453 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.450 7.345 3.258 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.539 6.214 3.265 1.00 0.00 C ATOM 1261 C LYS A 83 -8.145 6.689 3.682 1.00 0.00 C ATOM 1262 O LYS A 83 -7.555 7.543 3.023 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.566 5.496 1.915 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.521 4.301 1.948 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.974 4.755 1.794 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.772 3.765 0.945 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.247 2.635 1.774 1.00 0.00 N ATOM 0 H LYS A 83 -11.113 7.353 2.483 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.856 5.474 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.876 6.192 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.562 5.157 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.267 3.606 1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.402 3.762 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.435 4.850 2.777 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.003 5.742 1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.623 4.271 0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.150 3.391 0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.787 1.973 1.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.431 2.142 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.858 2.995 2.535 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.648 6.099 4.802 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.335 6.453 5.314 1.00 0.00 C ATOM 1283 C PRO A 84 -5.228 5.838 4.456 1.00 0.00 C ATOM 1284 O PRO A 84 -4.400 6.555 3.896 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.324 5.951 6.749 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.446 4.929 6.841 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.320 5.084 5.607 1.00 0.00 C ATOM 0 HA PRO A 84 -6.145 7.526 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.363 5.500 6.998 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.483 6.770 7.451 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.039 3.919 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.032 5.086 7.746 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.409 4.143 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.330 5.395 5.874 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.249 4.515 4.380 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.256 3.796 3.600 1.00 0.00 C ATOM 1297 C GLY A 85 -4.015 4.480 2.254 1.00 0.00 C ATOM 1298 O GLY A 85 -2.911 4.425 1.714 1.00 0.00 O ATOM 0 H GLY A 85 -5.937 3.923 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.321 3.742 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.589 2.771 3.436 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.067 5.109 1.749 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.982 5.804 0.475 1.00 0.00 C ATOM 1304 C LEU A 86 -4.314 7.164 0.684 1.00 0.00 C ATOM 1305 O LEU A 86 -3.254 7.432 0.120 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.363 5.892 -0.178 1.00 0.00 C ATOM 1307 CG LEU A 86 -7.002 4.559 -0.577 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.462 4.753 -0.990 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -6.185 3.865 -1.669 1.00 0.00 C ATOM 0 H LEU A 86 -5.982 5.152 2.198 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.358 5.246 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.036 6.404 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.283 6.515 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.998 3.904 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.892 3.791 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.023 5.174 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.512 5.433 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.660 2.921 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.135 4.506 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.177 3.673 -1.302 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.961 7.987 1.496 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.442 9.313 1.786 1.00 0.00 C ATOM 1323 C GLN A 87 -2.919 9.269 1.925 1.00 0.00 C ATOM 1324 O GLN A 87 -2.197 9.720 1.038 1.00 0.00 O ATOM 1325 CB GLN A 87 -5.090 9.893 3.045 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.605 11.320 3.305 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.771 12.311 3.270 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.684 12.264 4.078 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.689 13.207 2.291 1.00 0.00 N ATOM 0 H GLN A 87 -5.840 7.761 1.962 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.693 9.969 0.953 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.174 9.888 2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.854 9.263 3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.111 11.369 4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.864 11.598 2.556 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.897 13.190 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.418 13.912 2.182 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.475 8.719 3.047 1.00 0.00 N ATOM 1339 CA LYS A 88 -1.051 8.609 3.314 1.00 0.00 C ATOM 1340 C LYS A 88 -0.328 8.179 2.035 1.00 0.00 C ATOM 1341 O LYS A 88 0.606 8.846 1.592 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.799 7.682 4.504 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.849 8.456 5.823 1.00 0.00 C ATOM 1344 CD LYS A 88 0.557 8.844 6.285 1.00 0.00 C ATOM 1345 CE LYS A 88 0.970 10.199 5.706 1.00 0.00 C ATOM 1346 NZ LYS A 88 1.836 10.013 4.521 1.00 0.00 N ATOM 0 H LYS A 88 -3.077 8.345 3.781 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.642 9.577 3.602 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.546 6.888 4.516 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.174 7.203 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.456 9.353 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.332 7.848 6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.587 8.885 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.269 8.080 5.975 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.083 10.769 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.498 10.779 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.217 10.933 4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.621 9.375 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.279 9.600 3.746 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.788 7.069 1.479 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.198 6.542 0.260 1.00 0.00 C ATOM 1362 C ALA A 89 -0.090 7.664 -0.775 1.00 0.00 C ATOM 1363 O ALA A 89 0.978 7.889 -1.342 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.031 5.362 -0.242 1.00 0.00 C ATOM 0 H ALA A 89 -1.563 6.519 1.850 1.00 0.00 H new ATOM 0 HA ALA A 89 0.809 6.171 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.588 4.967 -1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.051 4.581 0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.048 5.696 -0.446 1.00 0.00 H new ATOM 1370 N SER A 90 -1.211 8.335 -0.991 1.00 0.00 N ATOM 1371 CA SER A 90 -1.257 9.427 -1.948 1.00 0.00 C ATOM 1372 C SER A 90 -0.249 10.510 -1.556 1.00 0.00 C ATOM 1373 O SER A 90 0.519 10.980 -2.393 1.00 0.00 O ATOM 1374 CB SER A 90 -2.665 10.019 -2.041 1.00 0.00 C ATOM 1375 OG SER A 90 -3.660 9.105 -1.591 1.00 0.00 O ATOM 0 H SER A 90 -2.095 8.144 -0.520 1.00 0.00 H new ATOM 0 HA SER A 90 -0.993 9.033 -2.929 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.715 10.931 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.872 10.301 -3.073 1.00 0.00 H new ATOM 0 HG SER A 90 -3.519 8.909 -0.641 1.00 0.00 H new ATOM 1381 N ILE A 91 -0.287 10.874 -0.283 1.00 0.00 N ATOM 1382 CA ILE A 91 0.613 11.893 0.231 1.00 0.00 C ATOM 1383 C ILE A 91 2.043 11.570 -0.207 1.00 0.00 C ATOM 1384 O ILE A 91 2.772 12.455 -0.655 1.00 0.00 O ATOM 1385 CB ILE A 91 0.452 12.035 1.746 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.855 12.753 2.093 1.00 0.00 C ATOM 1387 CG2 ILE A 91 1.668 12.728 2.364 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.921 13.078 3.586 1.00 0.00 C ATOM 0 H ILE A 91 -0.927 10.482 0.408 1.00 0.00 H new ATOM 0 HA ILE A 91 0.363 12.869 -0.186 1.00 0.00 H new ATOM 0 HB ILE A 91 0.396 11.036 2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.934 13.672 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.703 12.127 1.815 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.528 12.816 3.441 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.564 12.141 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.780 13.722 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.859 13.588 3.806 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.866 12.154 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.085 13.724 3.855 1.00 0.00 H new ATOM 1400 N PHE A 92 2.401 10.303 -0.063 1.00 0.00 N ATOM 1401 CA PHE A 92 3.732 9.854 -0.439 1.00 0.00 C ATOM 1402 C PHE A 92 3.914 9.891 -1.957 1.00 0.00 C ATOM 1403 O PHE A 92 5.036 9.798 -2.453 1.00 0.00 O ATOM 1404 CB PHE A 92 3.869 8.410 0.045 1.00 0.00 C ATOM 1405 CG PHE A 92 5.066 7.665 -0.551 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.323 7.932 -0.105 1.00 0.00 C ATOM 1407 CD2 PHE A 92 4.873 6.738 -1.526 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.433 7.241 -0.658 1.00 0.00 C ATOM 1409 CE2 PHE A 92 5.983 6.046 -2.079 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.241 6.313 -1.633 1.00 0.00 C ATOM 0 H PHE A 92 1.793 9.573 0.309 1.00 0.00 H new ATOM 0 HA PHE A 92 4.485 10.505 0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.957 8.409 1.131 1.00 0.00 H new ATOM 0 HB3 PHE A 92 2.957 7.867 -0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.476 8.669 0.669 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.875 6.527 -1.880 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.431 7.453 -0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.829 5.308 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.086 5.788 -2.053 1.00 0.00 H new ATOM 1420 N LEU A 93 2.795 10.029 -2.653 1.00 0.00 N ATOM 1421 CA LEU A 93 2.817 10.079 -4.105 1.00 0.00 C ATOM 1422 C LEU A 93 2.903 11.537 -4.559 1.00 0.00 C ATOM 1423 O LEU A 93 3.118 11.812 -5.738 1.00 0.00 O ATOM 1424 CB LEU A 93 1.620 9.323 -4.686 1.00 0.00 C ATOM 1425 CG LEU A 93 1.688 7.797 -4.607 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.826 7.152 -5.694 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.138 7.309 -4.659 1.00 0.00 C ATOM 0 H LEU A 93 1.867 10.108 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 93 3.702 9.572 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.720 9.654 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.508 9.608 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 93 1.278 7.486 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.893 6.067 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.211 7.462 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.182 7.467 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.158 6.221 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.597 7.631 -5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.693 7.727 -3.819 1.00 0.00 H new ATOM 1439 N LYS A 94 2.729 12.434 -3.599 1.00 0.00 N ATOM 1440 CA LYS A 94 2.784 13.857 -3.885 1.00 0.00 C ATOM 1441 C LYS A 94 3.973 14.476 -3.147 1.00 0.00 C ATOM 1442 O LYS A 94 4.747 15.231 -3.732 1.00 0.00 O ATOM 1443 CB LYS A 94 1.445 14.521 -3.559 1.00 0.00 C ATOM 1444 CG LYS A 94 0.529 13.564 -2.794 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.648 14.314 -2.168 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.419 15.104 -3.226 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.391 16.018 -2.583 1.00 0.00 N ATOM 0 H LYS A 94 2.550 12.202 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 94 2.946 14.025 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.616 15.419 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.958 14.837 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.156 12.794 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.097 13.056 -2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.317 13.606 -1.679 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.283 14.992 -1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.724 15.676 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.942 14.418 -3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.907 16.547 -3.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.065 15.465 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.885 16.685 -1.966 1.00 0.00 H new ATOM 1461 N THR A 95 4.081 14.132 -1.872 1.00 0.00 N ATOM 1462 CA THR A 95 5.164 14.644 -1.048 1.00 0.00 C ATOM 1463 C THR A 95 6.435 13.822 -1.266 1.00 0.00 C ATOM 1464 O THR A 95 7.523 14.241 -0.874 1.00 0.00 O ATOM 1465 CB THR A 95 4.687 14.652 0.406 1.00 0.00 C ATOM 1466 OG1 THR A 95 4.549 13.272 0.734 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.271 15.213 0.555 1.00 0.00 C ATOM 0 H THR A 95 3.437 13.505 -1.389 1.00 0.00 H new ATOM 0 HA THR A 95 5.424 15.665 -1.326 1.00 0.00 H new ATOM 0 HB THR A 95 5.377 15.241 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.169 12.791 -0.030 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.982 15.196 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.246 16.239 0.188 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.576 14.604 -0.023 1.00 0.00 H new ATOM 1475 N ARG A 96 6.256 12.668 -1.891 1.00 0.00 N ATOM 1476 CA ARG A 96 7.375 11.784 -2.167 1.00 0.00 C ATOM 1477 C ARG A 96 8.331 11.750 -0.972 1.00 0.00 C ATOM 1478 O ARG A 96 9.541 11.897 -1.136 1.00 0.00 O ATOM 1479 CB ARG A 96 8.141 12.236 -3.411 1.00 0.00 C ATOM 1480 CG ARG A 96 7.186 12.499 -4.577 1.00 0.00 C ATOM 1481 CD ARG A 96 6.555 11.198 -5.075 1.00 0.00 C ATOM 1482 NE ARG A 96 7.527 10.447 -5.900 1.00 0.00 N ATOM 1483 CZ ARG A 96 7.292 9.236 -6.422 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.117 8.631 -6.208 1.00 0.00 N ATOM 1485 NH2 ARG A 96 8.233 8.631 -7.160 1.00 0.00 N ATOM 0 H ARG A 96 5.352 12.324 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 96 6.973 10.786 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.705 13.142 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 96 8.865 11.472 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.403 13.189 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.726 12.980 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.239 10.590 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.662 11.418 -5.660 1.00 0.00 H new ATOM 0 HE ARG A 96 8.433 10.879 -6.083 1.00 0.00 H new ATOM 0 HH11 ARG A 96 5.401 9.092 -5.647 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.938 7.709 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.128 9.093 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.055 7.709 -7.558 1.00 0.00 H new ATOM 1499 N VAL A 97 7.751 11.556 0.204 1.00 0.00 N ATOM 1500 CA VAL A 97 8.536 11.501 1.425 1.00 0.00 C ATOM 1501 C VAL A 97 7.708 10.841 2.529 1.00 0.00 C ATOM 1502 O VAL A 97 6.785 11.452 3.066 1.00 0.00 O ATOM 1503 CB VAL A 97 9.022 12.903 1.798 1.00 0.00 C ATOM 1504 CG1 VAL A 97 7.841 13.842 2.057 1.00 0.00 C ATOM 1505 CG2 VAL A 97 9.959 12.855 3.007 1.00 0.00 C ATOM 0 H VAL A 97 6.747 11.435 0.337 1.00 0.00 H new ATOM 0 HA VAL A 97 9.428 10.891 1.279 1.00 0.00 H new ATOM 0 HB VAL A 97 9.585 13.298 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.214 14.832 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.228 13.912 1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.239 13.451 2.877 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.290 13.864 3.251 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.430 12.430 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 97 10.825 12.236 2.772 1.00 0.00 H new ATOM 1515 N VAL A 98 8.068 9.603 2.836 1.00 0.00 N ATOM 1516 CA VAL A 98 7.369 8.855 3.866 1.00 0.00 C ATOM 1517 C VAL A 98 7.527 9.572 5.208 1.00 0.00 C ATOM 1518 O VAL A 98 8.399 10.426 5.360 1.00 0.00 O ATOM 1519 CB VAL A 98 7.875 7.411 3.897 1.00 0.00 C ATOM 1520 CG1 VAL A 98 7.091 6.534 2.919 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.377 7.349 3.608 1.00 0.00 C ATOM 0 H VAL A 98 8.835 9.100 2.389 1.00 0.00 H new ATOM 0 HA VAL A 98 6.302 8.808 3.647 1.00 0.00 H new ATOM 0 HB VAL A 98 7.712 7.021 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.471 5.513 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.035 6.540 3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.208 6.923 1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.710 6.312 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.575 7.767 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.916 7.924 4.361 1.00 0.00 H new ATOM 1531 N PRO A 99 6.648 9.189 6.172 1.00 0.00 N ATOM 1532 CA PRO A 99 6.681 9.787 7.496 1.00 0.00 C ATOM 1533 C PRO A 99 7.860 9.250 8.310 1.00 0.00 C ATOM 1534 O PRO A 99 8.371 8.167 8.029 1.00 0.00 O ATOM 1535 CB PRO A 99 5.332 9.452 8.112 1.00 0.00 C ATOM 1536 CG PRO A 99 4.778 8.294 7.300 1.00 0.00 C ATOM 1537 CD PRO A 99 5.601 8.180 6.027 1.00 0.00 C ATOM 0 HA PRO A 99 6.834 10.866 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.440 9.177 9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.662 10.311 8.075 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.830 7.368 7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.728 8.463 7.062 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.025 7.182 5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.991 8.366 5.143 1.00 0.00 H new ATOM 1545 N ASP A 100 8.258 10.033 9.302 1.00 0.00 N ATOM 1546 CA ASP A 100 9.367 9.650 10.159 1.00 0.00 C ATOM 1547 C ASP A 100 9.064 8.296 10.803 1.00 0.00 C ATOM 1548 O ASP A 100 9.969 7.623 11.294 1.00 0.00 O ATOM 1549 CB ASP A 100 9.574 10.671 11.280 1.00 0.00 C ATOM 1550 CG ASP A 100 10.759 10.383 12.206 1.00 0.00 C ATOM 1551 OD1 ASP A 100 11.871 10.835 11.862 1.00 0.00 O ATOM 1552 OD2 ASP A 100 10.523 9.716 13.236 1.00 0.00 O ATOM 0 H ASP A 100 7.832 10.931 9.531 1.00 0.00 H new ATOM 0 HA ASP A 100 10.266 9.600 9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.712 11.656 10.833 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.666 10.718 11.881 1.00 0.00 H new ATOM 1557 N ASN A 101 7.789 7.937 10.779 1.00 0.00 N ATOM 1558 CA ASN A 101 7.356 6.675 11.355 1.00 0.00 C ATOM 1559 C ASN A 101 7.884 5.521 10.498 1.00 0.00 C ATOM 1560 O ASN A 101 7.903 4.374 10.940 1.00 0.00 O ATOM 1561 CB ASN A 101 5.830 6.579 11.387 1.00 0.00 C ATOM 1562 CG ASN A 101 5.334 6.218 12.789 1.00 0.00 C ATOM 1563 OD1 ASN A 101 6.065 5.707 13.622 1.00 0.00 O ATOM 1564 ND2 ASN A 101 4.053 6.509 13.001 1.00 0.00 N ATOM 0 H ASN A 101 7.042 8.498 10.370 1.00 0.00 H new ATOM 0 HA ASN A 101 7.742 6.618 12.373 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.395 7.529 11.077 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.494 5.827 10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.626 6.305 13.905 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.498 6.936 12.260 1.00 0.00 H new ATOM 1571 N TRP A 102 8.299 5.866 9.288 1.00 0.00 N ATOM 1572 CA TRP A 102 8.825 4.874 8.365 1.00 0.00 C ATOM 1573 C TRP A 102 10.352 4.971 8.388 1.00 0.00 C ATOM 1574 O TRP A 102 11.037 3.978 8.628 1.00 0.00 O ATOM 1575 CB TRP A 102 8.234 5.058 6.966 1.00 0.00 C ATOM 1576 CG TRP A 102 6.720 4.854 6.898 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.798 5.202 7.808 1.00 0.00 C ATOM 1578 CD2 TRP A 102 5.982 4.237 5.822 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.527 4.856 7.398 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.642 4.250 6.152 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.433 3.686 4.610 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.644 3.726 5.323 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.422 3.167 3.792 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.069 3.172 4.109 1.00 0.00 C ATOM 0 H TRP A 102 8.282 6.819 8.925 1.00 0.00 H new ATOM 0 HA TRP A 102 8.535 3.869 8.672 1.00 0.00 H new ATOM 0 HB2 TRP A 102 8.471 6.061 6.612 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.716 4.357 6.284 1.00 0.00 H new ATOM 0 HD1 TRP A 102 6.022 5.692 8.744 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.662 5.015 7.914 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.476 3.665 4.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.602 3.748 5.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.714 2.732 2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.349 2.751 3.423 1.00 0.00 H new