USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 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 91 ASN : amide:sc= -0.144 K(o=-0.97,f=-3.1!) USER MOD Set 1.2: A 94 THR OG1 : rot 170:sc= -0.822 USER MOD Single : A 12 ASN : amide:sc= -1.5! C(o=-1.5!,f=-1.5!) USER MOD Single : A 15 LYS NZ :NH3+ 153:sc=-3.72e-05 (180deg=-0.604) USER MOD Single : A 18 MET CE :methyl -116:sc= -0.471 (180deg=-2.99!) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= -0.279 (180deg=-2.43!) USER MOD Single : A 27 HIS : no HD1:sc= -0.505 X(o=-0.51,f=-0.21) USER MOD Single : A 28 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.52) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 30:sc= 0.45 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= -0.023 USER MOD Single : A 42 TYR OH : rot -5:sc= 0.625 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0.0357 (180deg=-0.0822) USER MOD Single : A 47 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.48) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -28:sc= 0.00576 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.0855 K(o=0.085,f=-0.91) USER MOD Single : A 67 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.044) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.435 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.537 USER MOD Single : A 77 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.87) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -3.13! C(o=-3.1!,f=-3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -119:sc= -0.373 (180deg=-1.21) USER MOD Single : A 93 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.016) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0946) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= -0.0122 (180deg=-0.143) USER MOD Single : A 102 GLN : amide:sc= -0.0661 K(o=-0.066,f=-0.84) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.224 USER MOD Single : A 111 ASN : amide:sc= -2.02 K(o=-2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 137 N ASN A 12 6.457 -10.767 -7.865 1.00 0.00 N ATOM 138 CA ASN A 12 6.230 -9.483 -8.518 1.00 0.00 C ATOM 139 C ASN A 12 7.307 -8.475 -8.127 1.00 0.00 C ATOM 140 O ASN A 12 7.718 -7.644 -8.936 1.00 0.00 O ATOM 141 CB ASN A 12 4.848 -8.938 -8.152 1.00 0.00 C ATOM 142 CG ASN A 12 4.540 -7.628 -8.851 1.00 0.00 C ATOM 143 OD1 ASN A 12 4.688 -7.510 -10.067 1.00 0.00 O ATOM 144 ND2 ASN A 12 4.107 -6.635 -8.082 1.00 0.00 N ATOM 0 HA ASN A 12 6.278 -9.639 -9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.089 -9.674 -8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.791 -8.793 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.882 -5.730 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.999 -6.777 -7.078 1.00 0.00 H new ATOM 151 N GLY A 13 7.760 -8.555 -6.879 1.00 0.00 N ATOM 152 CA GLY A 13 8.784 -7.645 -6.402 1.00 0.00 C ATOM 153 C GLY A 13 8.588 -7.262 -4.949 1.00 0.00 C ATOM 154 O GLY A 13 9.541 -6.890 -4.263 1.00 0.00 O ATOM 0 H GLY A 13 7.436 -9.234 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.763 -8.109 -6.523 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.780 -6.744 -7.016 1.00 0.00 H new ATOM 158 N PHE A 14 7.349 -7.352 -4.477 1.00 0.00 N ATOM 159 CA PHE A 14 7.031 -7.009 -3.096 1.00 0.00 C ATOM 160 C PHE A 14 7.916 -7.785 -2.124 1.00 0.00 C ATOM 161 O PHE A 14 8.501 -8.807 -2.481 1.00 0.00 O ATOM 162 CB PHE A 14 5.557 -7.298 -2.803 1.00 0.00 C ATOM 163 CG PHE A 14 4.626 -6.231 -3.303 1.00 0.00 C ATOM 164 CD1 PHE A 14 4.103 -6.295 -4.585 1.00 0.00 C ATOM 165 CD2 PHE A 14 4.274 -5.165 -2.492 1.00 0.00 C ATOM 166 CE1 PHE A 14 3.245 -5.315 -5.048 1.00 0.00 C ATOM 167 CE2 PHE A 14 3.416 -4.182 -2.950 1.00 0.00 C ATOM 168 CZ PHE A 14 2.902 -4.257 -4.230 1.00 0.00 C ATOM 0 H PHE A 14 6.549 -7.659 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 14 7.220 -5.944 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.284 -8.250 -3.259 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.424 -7.410 -1.727 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.369 -7.120 -5.229 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.674 -5.101 -1.491 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.843 -5.377 -6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.148 -3.356 -2.307 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.233 -3.489 -4.590 1.00 0.00 H new ATOM 178 N LYS A 15 8.009 -7.291 -0.895 1.00 0.00 N ATOM 179 CA LYS A 15 8.821 -7.936 0.130 1.00 0.00 C ATOM 180 C LYS A 15 8.150 -7.840 1.497 1.00 0.00 C ATOM 181 O LYS A 15 7.244 -7.032 1.699 1.00 0.00 O ATOM 182 CB LYS A 15 10.210 -7.296 0.187 1.00 0.00 C ATOM 183 CG LYS A 15 10.929 -7.283 -1.151 1.00 0.00 C ATOM 184 CD LYS A 15 12.437 -7.234 -0.974 1.00 0.00 C ATOM 185 CE LYS A 15 12.928 -5.809 -0.766 1.00 0.00 C ATOM 186 NZ LYS A 15 12.783 -5.374 0.651 1.00 0.00 N ATOM 0 H LYS A 15 7.532 -6.445 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 15 8.923 -8.989 -0.132 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.115 -6.272 0.549 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.820 -7.835 0.912 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.657 -8.172 -1.720 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.602 -6.421 -1.732 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.724 -7.847 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.921 -7.662 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.975 -5.739 -1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.368 -5.134 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.495 -4.647 0.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.832 -4.981 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.921 -6.190 1.281 1.00 0.00 H new ATOM 200 N VAL A 16 8.601 -8.671 2.432 1.00 0.00 N ATOM 201 CA VAL A 16 8.045 -8.678 3.780 1.00 0.00 C ATOM 202 C VAL A 16 8.707 -7.617 4.652 1.00 0.00 C ATOM 203 O VAL A 16 9.926 -7.605 4.817 1.00 0.00 O ATOM 204 CB VAL A 16 8.214 -10.055 4.449 1.00 0.00 C ATOM 205 CG1 VAL A 16 7.713 -10.016 5.885 1.00 0.00 C ATOM 206 CG2 VAL A 16 7.487 -11.127 3.651 1.00 0.00 C ATOM 0 H VAL A 16 9.349 -9.347 2.281 1.00 0.00 H new ATOM 0 HA VAL A 16 6.982 -8.456 3.686 1.00 0.00 H new ATOM 0 HB VAL A 16 9.275 -10.304 4.466 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.840 -10.998 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.282 -9.277 6.449 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.657 -9.746 5.895 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.617 -12.094 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.425 -10.886 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.897 -11.171 2.642 1.00 0.00 H new ATOM 216 N GLY A 17 7.893 -6.726 5.210 1.00 0.00 N ATOM 217 CA GLY A 17 8.417 -5.672 6.060 1.00 0.00 C ATOM 218 C GLY A 17 7.959 -4.294 5.624 1.00 0.00 C ATOM 219 O GLY A 17 7.823 -3.390 6.447 1.00 0.00 O ATOM 0 H GLY A 17 6.880 -6.715 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 17 8.101 -5.848 7.088 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.506 -5.709 6.050 1.00 0.00 H new ATOM 223 N MET A 18 7.724 -4.134 4.326 1.00 0.00 N ATOM 224 CA MET A 18 7.279 -2.856 3.783 1.00 0.00 C ATOM 225 C MET A 18 5.792 -2.641 4.044 1.00 0.00 C ATOM 226 O MET A 18 4.993 -3.573 3.943 1.00 0.00 O ATOM 227 CB MET A 18 7.560 -2.791 2.280 1.00 0.00 C ATOM 228 CG MET A 18 6.856 -3.877 1.483 1.00 0.00 C ATOM 229 SD MET A 18 7.068 -3.679 -0.297 1.00 0.00 S ATOM 230 CE MET A 18 8.821 -4.006 -0.467 1.00 0.00 C ATOM 0 H MET A 18 7.834 -4.873 3.631 1.00 0.00 H new ATOM 0 HA MET A 18 7.835 -2.064 4.284 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.251 -1.816 1.903 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.635 -2.870 2.116 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.241 -4.851 1.785 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.793 -3.866 1.722 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.326 -3.108 -0.825 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.233 -4.293 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.973 -4.816 -1.180 1.00 0.00 H new ATOM 240 N LYS A 19 5.426 -1.409 4.380 1.00 0.00 N ATOM 241 CA LYS A 19 4.035 -1.072 4.655 1.00 0.00 C ATOM 242 C LYS A 19 3.396 -0.378 3.456 1.00 0.00 C ATOM 243 O LYS A 19 4.092 0.148 2.587 1.00 0.00 O ATOM 244 CB LYS A 19 3.941 -0.171 5.888 1.00 0.00 C ATOM 245 CG LYS A 19 4.588 -0.766 7.127 1.00 0.00 C ATOM 246 CD LYS A 19 4.878 0.299 8.171 1.00 0.00 C ATOM 247 CE LYS A 19 5.331 -0.318 9.485 1.00 0.00 C ATOM 248 NZ LYS A 19 6.355 -1.379 9.277 1.00 0.00 N ATOM 0 H LYS A 19 6.074 -0.627 4.468 1.00 0.00 H new ATOM 0 HA LYS A 19 3.494 -1.999 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.414 0.786 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.891 0.033 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.931 -1.525 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.516 -1.267 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.649 0.974 7.800 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.983 0.899 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.740 0.460 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.470 -0.741 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.037 -1.362 10.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.890 -2.308 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.854 -1.208 8.381 1.00 0.00 H new ATOM 262 N LEU A 20 2.068 -0.379 3.416 1.00 0.00 N ATOM 263 CA LEU A 20 1.335 0.253 2.324 1.00 0.00 C ATOM 264 C LEU A 20 -0.132 0.444 2.692 1.00 0.00 C ATOM 265 O LEU A 20 -0.546 0.141 3.811 1.00 0.00 O ATOM 266 CB LEU A 20 1.449 -0.591 1.053 1.00 0.00 C ATOM 267 CG LEU A 20 0.737 -1.944 1.079 1.00 0.00 C ATOM 268 CD1 LEU A 20 0.466 -2.432 -0.335 1.00 0.00 C ATOM 269 CD2 LEU A 20 1.560 -2.965 1.850 1.00 0.00 C ATOM 0 H LEU A 20 1.477 -0.810 4.127 1.00 0.00 H new ATOM 0 HA LEU A 20 1.775 1.234 2.143 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.054 -0.011 0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.506 -0.763 0.849 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.219 -1.820 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.041 -3.396 -0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.165 -1.711 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.410 -2.540 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.038 -3.922 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.532 -3.086 1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.701 -2.620 2.874 1.00 0.00 H new ATOM 281 N GLU A 21 -0.915 0.945 1.741 1.00 0.00 N ATOM 282 CA GLU A 21 -2.338 1.175 1.966 1.00 0.00 C ATOM 283 C GLU A 21 -3.180 0.402 0.956 1.00 0.00 C ATOM 284 O GLU A 21 -3.045 0.588 -0.253 1.00 0.00 O ATOM 285 CB GLU A 21 -2.656 2.669 1.876 1.00 0.00 C ATOM 286 CG GLU A 21 -2.167 3.469 3.071 1.00 0.00 C ATOM 287 CD GLU A 21 -2.323 4.964 2.875 1.00 0.00 C ATOM 288 OE1 GLU A 21 -3.455 5.467 3.032 1.00 0.00 O ATOM 289 OE2 GLU A 21 -1.314 5.632 2.565 1.00 0.00 O ATOM 0 H GLU A 21 -0.589 1.199 0.809 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.584 0.818 2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.205 3.074 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.734 2.797 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.720 3.163 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.118 3.238 3.253 1.00 0.00 H new ATOM 296 N GLY A 22 -4.049 -0.468 1.461 1.00 0.00 N ATOM 297 CA GLY A 22 -4.900 -1.257 0.589 1.00 0.00 C ATOM 298 C GLY A 22 -6.372 -1.096 0.915 1.00 0.00 C ATOM 299 O GLY A 22 -6.729 -0.507 1.935 1.00 0.00 O ATOM 0 H GLY A 22 -4.179 -0.641 2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.726 -0.963 -0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.625 -2.309 0.673 1.00 0.00 H new ATOM 303 N VAL A 23 -7.230 -1.619 0.044 1.00 0.00 N ATOM 304 CA VAL A 23 -8.671 -1.530 0.244 1.00 0.00 C ATOM 305 C VAL A 23 -9.187 -2.709 1.061 1.00 0.00 C ATOM 306 O VAL A 23 -8.600 -3.791 1.048 1.00 0.00 O ATOM 307 CB VAL A 23 -9.422 -1.483 -1.100 1.00 0.00 C ATOM 308 CG1 VAL A 23 -10.876 -1.888 -0.914 1.00 0.00 C ATOM 309 CG2 VAL A 23 -9.321 -0.096 -1.718 1.00 0.00 C ATOM 0 H VAL A 23 -6.952 -2.108 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.858 -0.605 0.789 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.956 -2.195 -1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -11.390 -1.849 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.923 -2.903 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.358 -1.203 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -9.857 -0.081 -2.667 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.760 0.637 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.273 0.151 -1.889 1.00 0.00 H new ATOM 319 N ASP A 24 -10.289 -2.493 1.770 1.00 0.00 N ATOM 320 CA ASP A 24 -10.887 -3.538 2.593 1.00 0.00 C ATOM 321 C ASP A 24 -11.960 -4.294 1.816 1.00 0.00 C ATOM 322 O ASP A 24 -12.659 -3.735 0.971 1.00 0.00 O ATOM 323 CB ASP A 24 -11.488 -2.936 3.863 1.00 0.00 C ATOM 324 CG ASP A 24 -10.429 -2.417 4.815 1.00 0.00 C ATOM 325 OD1 ASP A 24 -9.579 -1.613 4.377 1.00 0.00 O ATOM 326 OD2 ASP A 24 -10.450 -2.812 5.999 1.00 0.00 O ATOM 0 H ASP A 24 -10.787 -1.603 1.792 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.102 -4.241 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -12.160 -2.121 3.593 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.090 -3.691 4.370 1.00 0.00 H new ATOM 331 N PRO A 25 -12.095 -5.597 2.106 1.00 0.00 N ATOM 332 CA PRO A 25 -13.080 -6.458 1.446 1.00 0.00 C ATOM 333 C PRO A 25 -14.510 -6.119 1.852 1.00 0.00 C ATOM 334 O PRO A 25 -15.467 -6.650 1.288 1.00 0.00 O ATOM 335 CB PRO A 25 -12.705 -7.861 1.928 1.00 0.00 C ATOM 336 CG PRO A 25 -12.016 -7.643 3.231 1.00 0.00 C ATOM 337 CD PRO A 25 -11.295 -6.330 3.102 1.00 0.00 C ATOM 0 HA PRO A 25 -13.058 -6.346 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.589 -8.488 2.048 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.052 -8.363 1.214 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -12.733 -7.616 4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.318 -8.453 3.444 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.254 -5.799 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.266 -6.468 2.769 1.00 0.00 H new ATOM 345 N GLU A 26 -14.648 -5.232 2.833 1.00 0.00 N ATOM 346 CA GLU A 26 -15.963 -4.824 3.314 1.00 0.00 C ATOM 347 C GLU A 26 -16.365 -3.477 2.720 1.00 0.00 C ATOM 348 O GLU A 26 -17.550 -3.158 2.624 1.00 0.00 O ATOM 349 CB GLU A 26 -15.969 -4.742 4.842 1.00 0.00 C ATOM 350 CG GLU A 26 -15.413 -3.436 5.383 1.00 0.00 C ATOM 351 CD GLU A 26 -14.862 -3.575 6.789 1.00 0.00 C ATOM 352 OE1 GLU A 26 -14.641 -4.723 7.228 1.00 0.00 O ATOM 353 OE2 GLU A 26 -14.653 -2.536 7.450 1.00 0.00 O ATOM 0 H GLU A 26 -13.866 -4.783 3.310 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.687 -5.574 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -16.991 -4.868 5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -15.385 -5.570 5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.624 -3.079 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.199 -2.681 5.378 1.00 0.00 H new ATOM 360 N HIS A 27 -15.370 -2.691 2.323 1.00 0.00 N ATOM 361 CA HIS A 27 -15.619 -1.378 1.738 1.00 0.00 C ATOM 362 C HIS A 27 -14.559 -1.038 0.695 1.00 0.00 C ATOM 363 O HIS A 27 -13.363 -1.060 0.983 1.00 0.00 O ATOM 364 CB HIS A 27 -15.640 -0.307 2.828 1.00 0.00 C ATOM 365 CG HIS A 27 -16.938 -0.235 3.572 1.00 0.00 C ATOM 366 ND1 HIS A 27 -18.160 -0.110 2.944 1.00 0.00 N ATOM 367 CD2 HIS A 27 -17.201 -0.273 4.899 1.00 0.00 C ATOM 368 CE1 HIS A 27 -19.118 -0.073 3.853 1.00 0.00 C ATOM 369 NE2 HIS A 27 -18.563 -0.170 5.048 1.00 0.00 N ATOM 0 H HIS A 27 -14.384 -2.940 2.396 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.592 -1.405 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -14.835 -0.505 3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -15.435 0.664 2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -16.475 -0.367 5.693 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.175 0.021 3.653 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -19.064 -0.169 5.936 1.00 0.00 H new ATOM 378 N GLN A 28 -15.007 -0.724 -0.517 1.00 0.00 N ATOM 379 CA GLN A 28 -14.096 -0.381 -1.602 1.00 0.00 C ATOM 380 C GLN A 28 -13.668 1.080 -1.512 1.00 0.00 C ATOM 381 O GLN A 28 -12.937 1.576 -2.369 1.00 0.00 O ATOM 382 CB GLN A 28 -14.758 -0.649 -2.955 1.00 0.00 C ATOM 383 CG GLN A 28 -15.217 -2.087 -3.134 1.00 0.00 C ATOM 384 CD GLN A 28 -16.639 -2.309 -2.658 1.00 0.00 C ATOM 385 OE1 GLN A 28 -17.556 -1.581 -3.042 1.00 0.00 O ATOM 386 NE2 GLN A 28 -16.831 -3.318 -1.817 1.00 0.00 N ATOM 0 H GLN A 28 -15.994 -0.700 -0.771 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.208 -1.007 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.616 0.014 -3.068 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.055 -0.399 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.144 -2.359 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.547 -2.749 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.043 -3.896 -1.525 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.767 -3.516 -1.463 1.00 0.00 H new ATOM 395 N SER A 29 -14.128 1.763 -0.469 1.00 0.00 N ATOM 396 CA SER A 29 -13.796 3.169 -0.270 1.00 0.00 C ATOM 397 C SER A 29 -13.121 3.381 1.082 1.00 0.00 C ATOM 398 O SER A 29 -13.223 4.453 1.678 1.00 0.00 O ATOM 399 CB SER A 29 -15.056 4.031 -0.364 1.00 0.00 C ATOM 400 OG SER A 29 -15.388 4.304 -1.714 1.00 0.00 O ATOM 0 H SER A 29 -14.731 1.366 0.251 1.00 0.00 H new ATOM 0 HA SER A 29 -13.101 3.467 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.887 3.520 0.122 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.901 4.967 0.172 1.00 0.00 H new ATOM 0 HG SER A 29 -16.198 4.855 -1.747 1.00 0.00 H new ATOM 406 N VAL A 30 -12.431 2.350 1.560 1.00 0.00 N ATOM 407 CA VAL A 30 -11.737 2.422 2.840 1.00 0.00 C ATOM 408 C VAL A 30 -10.292 1.954 2.710 1.00 0.00 C ATOM 409 O VAL A 30 -10.025 0.759 2.582 1.00 0.00 O ATOM 410 CB VAL A 30 -12.446 1.571 3.911 1.00 0.00 C ATOM 411 CG1 VAL A 30 -11.647 1.567 5.205 1.00 0.00 C ATOM 412 CG2 VAL A 30 -13.859 2.084 4.149 1.00 0.00 C ATOM 0 H VAL A 30 -12.338 1.455 1.080 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.750 3.467 3.149 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.512 0.545 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.163 0.961 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.657 1.149 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.547 2.588 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.345 1.472 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.818 3.119 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.427 2.030 3.220 1.00 0.00 H new ATOM 422 N TYR A 31 -9.364 2.904 2.743 1.00 0.00 N ATOM 423 CA TYR A 31 -7.945 2.589 2.626 1.00 0.00 C ATOM 424 C TYR A 31 -7.313 2.406 4.003 1.00 0.00 C ATOM 425 O TYR A 31 -7.174 3.362 4.767 1.00 0.00 O ATOM 426 CB TYR A 31 -7.217 3.697 1.862 1.00 0.00 C ATOM 427 CG TYR A 31 -7.758 3.928 0.469 1.00 0.00 C ATOM 428 CD1 TYR A 31 -7.859 2.883 -0.441 1.00 0.00 C ATOM 429 CD2 TYR A 31 -8.170 5.191 0.064 1.00 0.00 C ATOM 430 CE1 TYR A 31 -8.352 3.090 -1.714 1.00 0.00 C ATOM 431 CE2 TYR A 31 -8.666 5.407 -1.207 1.00 0.00 C ATOM 432 CZ TYR A 31 -8.754 4.353 -2.093 1.00 0.00 C ATOM 433 OH TYR A 31 -9.247 4.563 -3.360 1.00 0.00 O ATOM 0 H TYR A 31 -9.569 3.898 2.850 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.850 1.653 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.288 4.625 2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.159 3.445 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -7.547 1.892 -0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.101 6.018 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -8.422 2.267 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -8.983 6.395 -1.506 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.486 5.508 -3.466 1.00 0.00 H new ATOM 443 N CYS A 32 -6.931 1.172 4.311 1.00 0.00 N ATOM 444 CA CYS A 32 -6.313 0.860 5.595 1.00 0.00 C ATOM 445 C CYS A 32 -4.834 0.531 5.421 1.00 0.00 C ATOM 446 O CYS A 32 -4.394 0.158 4.334 1.00 0.00 O ATOM 447 CB CYS A 32 -7.034 -0.312 6.261 1.00 0.00 C ATOM 448 SG CYS A 32 -6.900 -0.334 8.064 1.00 0.00 S ATOM 0 H CYS A 32 -7.038 0.371 3.689 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.398 1.739 6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.088 -0.279 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.631 -1.244 5.866 1.00 0.00 H new ATOM 0 HG CYS A 32 -6.781 0.883 8.505 1.00 0.00 H new ATOM 454 N VAL A 33 -4.070 0.674 6.500 1.00 0.00 N ATOM 455 CA VAL A 33 -2.640 0.392 6.467 1.00 0.00 C ATOM 456 C VAL A 33 -2.373 -1.107 6.546 1.00 0.00 C ATOM 457 O VAL A 33 -2.728 -1.761 7.528 1.00 0.00 O ATOM 458 CB VAL A 33 -1.903 1.095 7.623 1.00 0.00 C ATOM 459 CG1 VAL A 33 -2.660 0.912 8.929 1.00 0.00 C ATOM 460 CG2 VAL A 33 -0.480 0.571 7.743 1.00 0.00 C ATOM 0 H VAL A 33 -4.418 0.983 7.408 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.264 0.775 5.519 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.856 2.162 7.406 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.124 1.415 9.734 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.658 1.340 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.741 -0.151 9.157 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.026 1.078 8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.502 -0.501 7.937 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.057 0.760 6.814 1.00 0.00 H new ATOM 470 N LEU A 34 -1.745 -1.645 5.507 1.00 0.00 N ATOM 471 CA LEU A 34 -1.429 -3.069 5.458 1.00 0.00 C ATOM 472 C LEU A 34 0.074 -3.288 5.328 1.00 0.00 C ATOM 473 O LEU A 34 0.786 -2.468 4.748 1.00 0.00 O ATOM 474 CB LEU A 34 -2.156 -3.732 4.287 1.00 0.00 C ATOM 475 CG LEU A 34 -3.669 -3.516 4.226 1.00 0.00 C ATOM 476 CD1 LEU A 34 -4.160 -3.583 2.788 1.00 0.00 C ATOM 477 CD2 LEU A 34 -4.389 -4.544 5.086 1.00 0.00 C ATOM 0 H LEU A 34 -1.444 -1.118 4.687 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.764 -3.524 6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.719 -3.364 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.964 -4.804 4.326 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.892 -2.524 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.239 -3.427 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.668 -2.809 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.925 -4.561 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.464 -4.375 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.160 -5.546 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.059 -4.448 6.120 1.00 0.00 H new ATOM 489 N THR A 35 0.553 -4.403 5.871 1.00 0.00 N ATOM 490 CA THR A 35 1.972 -4.732 5.816 1.00 0.00 C ATOM 491 C THR A 35 2.199 -6.074 5.128 1.00 0.00 C ATOM 492 O THR A 35 1.426 -7.015 5.310 1.00 0.00 O ATOM 493 CB THR A 35 2.594 -4.778 7.224 1.00 0.00 C ATOM 494 OG1 THR A 35 2.353 -3.543 7.907 1.00 0.00 O ATOM 495 CG2 THR A 35 4.091 -5.037 7.147 1.00 0.00 C ATOM 0 H THR A 35 -0.021 -5.094 6.354 1.00 0.00 H new ATOM 0 HA THR A 35 2.456 -3.944 5.239 1.00 0.00 H new ATOM 0 HB THR A 35 2.128 -5.595 7.776 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.750 -3.581 8.802 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.508 -5.065 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.270 -5.992 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.569 -4.240 6.578 1.00 0.00 H new ATOM 503 N VAL A 36 3.265 -6.156 4.338 1.00 0.00 N ATOM 504 CA VAL A 36 3.595 -7.384 3.625 1.00 0.00 C ATOM 505 C VAL A 36 3.924 -8.512 4.596 1.00 0.00 C ATOM 506 O VAL A 36 4.979 -8.511 5.229 1.00 0.00 O ATOM 507 CB VAL A 36 4.787 -7.177 2.672 1.00 0.00 C ATOM 508 CG1 VAL A 36 4.998 -8.408 1.804 1.00 0.00 C ATOM 509 CG2 VAL A 36 4.573 -5.939 1.813 1.00 0.00 C ATOM 0 H VAL A 36 3.915 -5.387 4.176 1.00 0.00 H new ATOM 0 HA VAL A 36 2.716 -7.657 3.041 1.00 0.00 H new ATOM 0 HB VAL A 36 5.686 -7.026 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.844 -8.242 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.199 -9.271 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.102 -8.594 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.425 -5.808 1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.664 -6.058 1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.476 -5.063 2.455 1.00 0.00 H new ATOM 519 N ALA A 37 3.015 -9.474 4.707 1.00 0.00 N ATOM 520 CA ALA A 37 3.210 -10.611 5.599 1.00 0.00 C ATOM 521 C ALA A 37 3.909 -11.759 4.880 1.00 0.00 C ATOM 522 O ALA A 37 4.727 -12.465 5.469 1.00 0.00 O ATOM 523 CB ALA A 37 1.875 -11.074 6.164 1.00 0.00 C ATOM 0 H ALA A 37 2.136 -9.489 4.190 1.00 0.00 H new ATOM 0 HA ALA A 37 3.848 -10.290 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.036 -11.923 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.414 -10.259 6.722 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.218 -11.372 5.347 1.00 0.00 H new ATOM 529 N GLU A 38 3.582 -11.940 3.605 1.00 0.00 N ATOM 530 CA GLU A 38 4.179 -13.005 2.807 1.00 0.00 C ATOM 531 C GLU A 38 4.080 -12.689 1.317 1.00 0.00 C ATOM 532 O GLU A 38 3.336 -11.798 0.908 1.00 0.00 O ATOM 533 CB GLU A 38 3.493 -14.340 3.103 1.00 0.00 C ATOM 534 CG GLU A 38 4.309 -15.550 2.682 1.00 0.00 C ATOM 535 CD GLU A 38 3.776 -16.845 3.264 1.00 0.00 C ATOM 536 OE1 GLU A 38 3.216 -16.807 4.379 1.00 0.00 O ATOM 537 OE2 GLU A 38 3.919 -17.896 2.605 1.00 0.00 O ATOM 0 H GLU A 38 2.907 -11.364 3.102 1.00 0.00 H new ATOM 0 HA GLU A 38 5.233 -13.079 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.288 -14.404 4.172 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.531 -14.366 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.314 -15.620 1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.344 -15.413 2.997 1.00 0.00 H new ATOM 544 N VAL A 39 4.836 -13.427 0.511 1.00 0.00 N ATOM 545 CA VAL A 39 4.835 -13.227 -0.934 1.00 0.00 C ATOM 546 C VAL A 39 5.045 -14.545 -1.671 1.00 0.00 C ATOM 547 O VAL A 39 5.988 -15.284 -1.386 1.00 0.00 O ATOM 548 CB VAL A 39 5.928 -12.231 -1.364 1.00 0.00 C ATOM 549 CG1 VAL A 39 5.800 -11.904 -2.844 1.00 0.00 C ATOM 550 CG2 VAL A 39 5.856 -10.966 -0.522 1.00 0.00 C ATOM 0 H VAL A 39 5.457 -14.169 0.834 1.00 0.00 H new ATOM 0 HA VAL A 39 3.859 -12.819 -1.196 1.00 0.00 H new ATOM 0 HB VAL A 39 6.902 -12.694 -1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.581 -11.199 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.905 -12.818 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.823 -11.461 -3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.635 -10.273 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.880 -10.498 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.001 -11.219 0.528 1.00 0.00 H new ATOM 560 N CYS A 40 4.160 -14.833 -2.619 1.00 0.00 N ATOM 561 CA CYS A 40 4.248 -16.063 -3.398 1.00 0.00 C ATOM 562 C CYS A 40 3.477 -15.933 -4.708 1.00 0.00 C ATOM 563 O CYS A 40 2.500 -15.190 -4.794 1.00 0.00 O ATOM 564 CB CYS A 40 3.709 -17.244 -2.589 1.00 0.00 C ATOM 565 SG CYS A 40 4.140 -18.863 -3.269 1.00 0.00 S ATOM 0 H CYS A 40 3.374 -14.232 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 40 5.298 -16.242 -3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.090 -17.177 -1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.624 -17.164 -2.529 1.00 0.00 H new ATOM 0 HG CYS A 40 3.642 -19.797 -2.515 1.00 0.00 H new ATOM 571 N GLY A 41 3.923 -16.662 -5.726 1.00 0.00 N ATOM 572 CA GLY A 41 3.264 -16.613 -7.019 1.00 0.00 C ATOM 573 C GLY A 41 2.960 -15.195 -7.461 1.00 0.00 C ATOM 574 O GLY A 41 3.698 -14.265 -7.137 1.00 0.00 O ATOM 0 H GLY A 41 4.729 -17.286 -5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.897 -17.095 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.336 -17.183 -6.972 1.00 0.00 H new ATOM 578 N TYR A 42 1.872 -15.030 -8.204 1.00 0.00 N ATOM 579 CA TYR A 42 1.474 -13.716 -8.695 1.00 0.00 C ATOM 580 C TYR A 42 0.542 -13.024 -7.706 1.00 0.00 C ATOM 581 O TYR A 42 -0.405 -12.342 -8.100 1.00 0.00 O ATOM 582 CB TYR A 42 0.788 -13.843 -10.056 1.00 0.00 C ATOM 583 CG TYR A 42 0.952 -12.623 -10.933 1.00 0.00 C ATOM 584 CD1 TYR A 42 0.059 -11.561 -10.855 1.00 0.00 C ATOM 585 CD2 TYR A 42 2.000 -12.531 -11.840 1.00 0.00 C ATOM 586 CE1 TYR A 42 0.204 -10.445 -11.655 1.00 0.00 C ATOM 587 CE2 TYR A 42 2.154 -11.417 -12.644 1.00 0.00 C ATOM 588 CZ TYR A 42 1.253 -10.377 -12.548 1.00 0.00 C ATOM 589 OH TYR A 42 1.403 -9.266 -13.345 1.00 0.00 O ATOM 0 H TYR A 42 1.250 -15.790 -8.480 1.00 0.00 H new ATOM 0 HA TYR A 42 2.373 -13.110 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.191 -14.711 -10.577 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -0.275 -14.029 -9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.763 -11.609 -10.156 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.707 -13.344 -11.918 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.500 -9.630 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.975 -11.361 -13.343 1.00 0.00 H new ATOM 0 HH TYR A 42 0.644 -8.661 -13.209 1.00 0.00 H new ATOM 599 N ARG A 43 0.817 -13.204 -6.418 1.00 0.00 N ATOM 600 CA ARG A 43 0.004 -12.598 -5.371 1.00 0.00 C ATOM 601 C ARG A 43 0.837 -12.334 -4.120 1.00 0.00 C ATOM 602 O ARG A 43 1.889 -12.943 -3.923 1.00 0.00 O ATOM 603 CB ARG A 43 -1.180 -13.503 -5.027 1.00 0.00 C ATOM 604 CG ARG A 43 -2.361 -13.348 -5.971 1.00 0.00 C ATOM 605 CD ARG A 43 -3.577 -14.112 -5.473 1.00 0.00 C ATOM 606 NE ARG A 43 -4.518 -14.406 -6.551 1.00 0.00 N ATOM 607 CZ ARG A 43 -5.764 -14.818 -6.346 1.00 0.00 C ATOM 608 NH1 ARG A 43 -6.217 -14.983 -5.111 1.00 0.00 N ATOM 609 NH2 ARG A 43 -6.560 -15.065 -7.379 1.00 0.00 N ATOM 0 H ARG A 43 1.597 -13.765 -6.075 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.372 -11.645 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.849 -14.541 -5.041 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.508 -13.287 -4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.610 -12.292 -6.073 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.085 -13.707 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.254 -15.044 -5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.080 -13.529 -4.701 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.201 -14.289 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.608 -14.793 -4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.174 -15.299 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.215 -14.938 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.517 -15.381 -7.221 1.00 0.00 H new ATOM 623 N ILE A 44 0.359 -11.424 -3.278 1.00 0.00 N ATOM 624 CA ILE A 44 1.059 -11.080 -2.046 1.00 0.00 C ATOM 625 C ILE A 44 0.116 -11.121 -0.849 1.00 0.00 C ATOM 626 O ILE A 44 -1.051 -10.741 -0.949 1.00 0.00 O ATOM 627 CB ILE A 44 1.700 -9.683 -2.134 1.00 0.00 C ATOM 628 CG1 ILE A 44 0.694 -8.670 -2.685 1.00 0.00 C ATOM 629 CG2 ILE A 44 2.947 -9.726 -3.005 1.00 0.00 C ATOM 630 CD1 ILE A 44 1.128 -7.231 -2.511 1.00 0.00 C ATOM 0 H ILE A 44 -0.510 -10.911 -3.426 1.00 0.00 H new ATOM 0 HA ILE A 44 1.845 -11.823 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 44 1.991 -9.370 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.535 -8.867 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.265 -8.815 -2.187 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.389 -8.731 -3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.668 -10.421 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.679 -10.057 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.367 -6.569 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.259 -7.016 -1.450 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.071 -7.070 -3.033 1.00 0.00 H new ATOM 642 N LYS A 45 0.630 -11.582 0.286 1.00 0.00 N ATOM 643 CA LYS A 45 -0.164 -11.670 1.506 1.00 0.00 C ATOM 644 C LYS A 45 -0.231 -10.319 2.210 1.00 0.00 C ATOM 645 O LYS A 45 0.795 -9.678 2.445 1.00 0.00 O ATOM 646 CB LYS A 45 0.428 -12.720 2.450 1.00 0.00 C ATOM 647 CG LYS A 45 -0.519 -13.142 3.560 1.00 0.00 C ATOM 648 CD LYS A 45 0.081 -14.245 4.415 1.00 0.00 C ATOM 649 CE LYS A 45 -0.988 -14.977 5.212 1.00 0.00 C ATOM 650 NZ LYS A 45 -1.215 -14.349 6.543 1.00 0.00 N ATOM 0 H LYS A 45 1.594 -11.901 0.387 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.176 -11.967 1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.710 -13.599 1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.341 -12.324 2.894 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.753 -12.281 4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.458 -13.486 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.610 -14.954 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.817 -13.819 5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.921 -14.982 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.692 -16.017 5.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.039 -14.790 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.375 -14.487 7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.390 -13.331 6.421 1.00 0.00 H new ATOM 664 N LEU A 46 -1.443 -9.891 2.546 1.00 0.00 N ATOM 665 CA LEU A 46 -1.643 -8.615 3.225 1.00 0.00 C ATOM 666 C LEU A 46 -2.122 -8.830 4.657 1.00 0.00 C ATOM 667 O LEU A 46 -3.028 -9.626 4.907 1.00 0.00 O ATOM 668 CB LEU A 46 -2.655 -7.761 2.459 1.00 0.00 C ATOM 669 CG LEU A 46 -2.188 -7.214 1.110 1.00 0.00 C ATOM 670 CD1 LEU A 46 -1.270 -6.018 1.309 1.00 0.00 C ATOM 671 CD2 LEU A 46 -1.485 -8.300 0.309 1.00 0.00 C ATOM 0 H LEU A 46 -2.302 -10.409 2.359 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.686 -8.093 3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.553 -8.357 2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.941 -6.920 3.090 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.063 -6.886 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.947 -5.642 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.806 -5.233 1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.398 -6.321 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.159 -7.893 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.618 -8.659 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.173 -9.128 0.136 1.00 0.00 H new ATOM 683 N HIS A 47 -1.510 -8.114 5.594 1.00 0.00 N ATOM 684 CA HIS A 47 -1.876 -8.225 7.002 1.00 0.00 C ATOM 685 C HIS A 47 -2.419 -6.899 7.527 1.00 0.00 C ATOM 686 O HIS A 47 -2.069 -5.831 7.026 1.00 0.00 O ATOM 687 CB HIS A 47 -0.668 -8.659 7.832 1.00 0.00 C ATOM 688 CG HIS A 47 -0.854 -8.469 9.306 1.00 0.00 C ATOM 689 ND1 HIS A 47 -1.532 -9.369 10.101 1.00 0.00 N ATOM 690 CD2 HIS A 47 -0.445 -7.476 10.129 1.00 0.00 C ATOM 691 CE1 HIS A 47 -1.534 -8.937 11.349 1.00 0.00 C ATOM 692 NE2 HIS A 47 -0.880 -7.790 11.394 1.00 0.00 N ATOM 0 H HIS A 47 -0.759 -7.451 5.405 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.658 -8.979 7.091 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.460 -9.710 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 47 0.206 -8.094 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.119 -6.600 9.845 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.992 -9.436 12.190 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -0.723 -7.229 12.231 1.00 0.00 H new ATOM 701 N PHE A 48 -3.276 -6.977 8.540 1.00 0.00 N ATOM 702 CA PHE A 48 -3.869 -5.783 9.132 1.00 0.00 C ATOM 703 C PHE A 48 -3.196 -5.442 10.459 1.00 0.00 C ATOM 704 O PHE A 48 -3.379 -6.139 11.457 1.00 0.00 O ATOM 705 CB PHE A 48 -5.371 -5.987 9.347 1.00 0.00 C ATOM 706 CG PHE A 48 -6.187 -5.790 8.102 1.00 0.00 C ATOM 707 CD1 PHE A 48 -6.564 -4.520 7.699 1.00 0.00 C ATOM 708 CD2 PHE A 48 -6.575 -6.876 7.333 1.00 0.00 C ATOM 709 CE1 PHE A 48 -7.316 -4.336 6.553 1.00 0.00 C ATOM 710 CE2 PHE A 48 -7.326 -6.698 6.187 1.00 0.00 C ATOM 711 CZ PHE A 48 -7.696 -5.427 5.796 1.00 0.00 C ATOM 0 H PHE A 48 -3.575 -7.853 8.968 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.717 -4.952 8.443 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.542 -6.994 9.728 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.718 -5.293 10.113 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.267 -3.663 8.286 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.287 -7.873 7.633 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.606 -3.341 6.250 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -7.623 -7.553 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.282 -5.286 4.900 1.00 0.00 H new ATOM 721 N ASP A 49 -2.417 -4.367 10.460 1.00 0.00 N ATOM 722 CA ASP A 49 -1.716 -3.932 11.662 1.00 0.00 C ATOM 723 C ASP A 49 -2.641 -3.970 12.875 1.00 0.00 C ATOM 724 O ASP A 49 -3.635 -3.248 12.932 1.00 0.00 O ATOM 725 CB ASP A 49 -1.161 -2.519 11.473 1.00 0.00 C ATOM 726 CG ASP A 49 -0.270 -2.088 12.621 1.00 0.00 C ATOM 727 OD1 ASP A 49 0.291 -2.972 13.301 1.00 0.00 O ATOM 728 OD2 ASP A 49 -0.134 -0.866 12.839 1.00 0.00 O ATOM 0 H ASP A 49 -2.255 -3.780 9.642 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.888 -4.619 11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.596 -2.476 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.989 -1.817 11.376 1.00 0.00 H new ATOM 733 N GLY A 50 -2.307 -4.819 13.842 1.00 0.00 N ATOM 734 CA GLY A 50 -3.118 -4.937 15.039 1.00 0.00 C ATOM 735 C GLY A 50 -4.066 -6.118 14.983 1.00 0.00 C ATOM 736 O GLY A 50 -4.022 -6.999 15.842 1.00 0.00 O ATOM 0 H GLY A 50 -1.489 -5.427 13.817 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.466 -5.039 15.907 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.692 -4.021 15.177 1.00 0.00 H new ATOM 740 N TYR A 51 -4.926 -6.138 13.971 1.00 0.00 N ATOM 741 CA TYR A 51 -5.892 -7.218 13.809 1.00 0.00 C ATOM 742 C TYR A 51 -5.200 -8.577 13.845 1.00 0.00 C ATOM 743 O TYR A 51 -3.974 -8.661 13.931 1.00 0.00 O ATOM 744 CB TYR A 51 -6.653 -7.056 12.492 1.00 0.00 C ATOM 745 CG TYR A 51 -7.749 -6.016 12.551 1.00 0.00 C ATOM 746 CD1 TYR A 51 -7.453 -4.661 12.473 1.00 0.00 C ATOM 747 CD2 TYR A 51 -9.081 -6.389 12.683 1.00 0.00 C ATOM 748 CE1 TYR A 51 -8.452 -3.708 12.527 1.00 0.00 C ATOM 749 CE2 TYR A 51 -10.086 -5.443 12.737 1.00 0.00 C ATOM 750 CZ TYR A 51 -9.766 -4.103 12.658 1.00 0.00 C ATOM 751 OH TYR A 51 -10.764 -3.157 12.711 1.00 0.00 O ATOM 0 H TYR A 51 -4.974 -5.418 13.250 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.598 -7.168 14.638 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.948 -6.785 11.706 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.089 -8.016 12.213 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.425 -4.347 12.368 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.335 -7.437 12.744 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.204 -2.658 12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.116 -5.750 12.840 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.632 -3.602 12.803 1.00 0.00 H new ATOM 761 N SER A 52 -5.994 -9.641 13.779 1.00 0.00 N ATOM 762 CA SER A 52 -5.460 -10.997 13.807 1.00 0.00 C ATOM 763 C SER A 52 -5.086 -11.463 12.404 1.00 0.00 C ATOM 764 O SER A 52 -5.576 -10.928 11.409 1.00 0.00 O ATOM 765 CB SER A 52 -6.481 -11.957 14.420 1.00 0.00 C ATOM 766 OG SER A 52 -6.608 -11.745 15.815 1.00 0.00 O ATOM 0 H SER A 52 -7.010 -9.590 13.706 1.00 0.00 H new ATOM 0 HA SER A 52 -4.560 -10.994 14.422 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.449 -11.819 13.939 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.175 -12.986 14.232 1.00 0.00 H new ATOM 0 HG SER A 52 -7.268 -12.370 16.182 1.00 0.00 H new ATOM 772 N ASP A 53 -4.214 -12.463 12.332 1.00 0.00 N ATOM 773 CA ASP A 53 -3.774 -13.003 11.051 1.00 0.00 C ATOM 774 C ASP A 53 -4.947 -13.599 10.280 1.00 0.00 C ATOM 775 O ASP A 53 -5.040 -13.453 9.060 1.00 0.00 O ATOM 776 CB ASP A 53 -2.695 -14.066 11.265 1.00 0.00 C ATOM 777 CG ASP A 53 -1.324 -13.462 11.494 1.00 0.00 C ATOM 778 OD1 ASP A 53 -0.696 -13.025 10.506 1.00 0.00 O ATOM 779 OD2 ASP A 53 -0.879 -13.426 12.660 1.00 0.00 O ATOM 0 H ASP A 53 -3.798 -12.916 13.146 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.356 -12.185 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.964 -14.685 12.121 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.659 -14.723 10.396 1.00 0.00 H new ATOM 784 N CYS A 54 -5.840 -14.270 10.998 1.00 0.00 N ATOM 785 CA CYS A 54 -7.008 -14.890 10.381 1.00 0.00 C ATOM 786 C CYS A 54 -7.684 -13.929 9.410 1.00 0.00 C ATOM 787 O CYS A 54 -8.362 -14.352 8.473 1.00 0.00 O ATOM 788 CB CYS A 54 -8.002 -15.334 11.455 1.00 0.00 C ATOM 789 SG CYS A 54 -9.373 -16.330 10.824 1.00 0.00 S ATOM 0 H CYS A 54 -5.778 -14.399 12.008 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.673 -15.764 9.823 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.469 -15.907 12.213 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.406 -14.450 11.949 1.00 0.00 H new ATOM 0 HG CYS A 54 -9.613 -16.005 9.588 1.00 0.00 H new ATOM 795 N TYR A 55 -7.497 -12.634 9.640 1.00 0.00 N ATOM 796 CA TYR A 55 -8.093 -11.612 8.788 1.00 0.00 C ATOM 797 C TYR A 55 -7.114 -11.166 7.707 1.00 0.00 C ATOM 798 O TYR A 55 -7.134 -10.014 7.272 1.00 0.00 O ATOM 799 CB TYR A 55 -8.527 -10.409 9.627 1.00 0.00 C ATOM 800 CG TYR A 55 -9.434 -10.771 10.781 1.00 0.00 C ATOM 801 CD1 TYR A 55 -10.736 -11.203 10.559 1.00 0.00 C ATOM 802 CD2 TYR A 55 -8.989 -10.681 12.094 1.00 0.00 C ATOM 803 CE1 TYR A 55 -11.568 -11.535 11.611 1.00 0.00 C ATOM 804 CE2 TYR A 55 -9.813 -11.012 13.152 1.00 0.00 C ATOM 805 CZ TYR A 55 -11.102 -11.437 12.905 1.00 0.00 C ATOM 806 OH TYR A 55 -11.927 -11.768 13.956 1.00 0.00 O ATOM 0 H TYR A 55 -6.937 -12.267 10.410 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.969 -12.044 8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.640 -9.909 10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.040 -9.694 8.984 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -11.104 -11.281 9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.981 -10.346 12.291 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.577 -11.869 11.421 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.450 -10.939 14.167 1.00 0.00 H new ATOM 0 HH TYR A 55 -11.446 -11.645 14.801 1.00 0.00 H new ATOM 816 N ASP A 56 -6.258 -12.086 7.277 1.00 0.00 N ATOM 817 CA ASP A 56 -5.271 -11.790 6.245 1.00 0.00 C ATOM 818 C ASP A 56 -5.718 -12.336 4.892 1.00 0.00 C ATOM 819 O ASP A 56 -6.154 -13.483 4.788 1.00 0.00 O ATOM 820 CB ASP A 56 -3.912 -12.381 6.624 1.00 0.00 C ATOM 821 CG ASP A 56 -3.295 -11.691 7.824 1.00 0.00 C ATOM 822 OD1 ASP A 56 -4.008 -10.915 8.495 1.00 0.00 O ATOM 823 OD2 ASP A 56 -2.099 -11.926 8.093 1.00 0.00 O ATOM 0 H ASP A 56 -6.228 -13.044 7.627 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.178 -10.707 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.028 -13.443 6.839 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.234 -12.300 5.774 1.00 0.00 H new ATOM 828 N PHE A 57 -5.608 -11.507 3.859 1.00 0.00 N ATOM 829 CA PHE A 57 -6.002 -11.906 2.514 1.00 0.00 C ATOM 830 C PHE A 57 -4.892 -11.607 1.510 1.00 0.00 C ATOM 831 O PHE A 57 -3.944 -10.884 1.815 1.00 0.00 O ATOM 832 CB PHE A 57 -7.287 -11.185 2.101 1.00 0.00 C ATOM 833 CG PHE A 57 -7.170 -9.688 2.132 1.00 0.00 C ATOM 834 CD1 PHE A 57 -6.326 -9.027 1.255 1.00 0.00 C ATOM 835 CD2 PHE A 57 -7.904 -8.941 3.040 1.00 0.00 C ATOM 836 CE1 PHE A 57 -6.216 -7.649 1.281 1.00 0.00 C ATOM 837 CE2 PHE A 57 -7.799 -7.564 3.071 1.00 0.00 C ATOM 838 CZ PHE A 57 -6.953 -6.917 2.191 1.00 0.00 C ATOM 0 H PHE A 57 -5.249 -10.555 3.928 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.182 -12.981 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.563 -11.499 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.096 -11.492 2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.747 -9.595 0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -8.566 -9.441 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -5.555 -7.146 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.378 -6.994 3.783 1.00 0.00 H new ATOM 0 HZ PHE A 57 -6.868 -5.841 2.215 1.00 0.00 H new ATOM 848 N TRP A 58 -5.018 -12.169 0.313 1.00 0.00 N ATOM 849 CA TRP A 58 -4.026 -11.963 -0.736 1.00 0.00 C ATOM 850 C TRP A 58 -4.614 -11.162 -1.892 1.00 0.00 C ATOM 851 O TRP A 58 -5.694 -11.478 -2.393 1.00 0.00 O ATOM 852 CB TRP A 58 -3.505 -13.308 -1.244 1.00 0.00 C ATOM 853 CG TRP A 58 -2.792 -14.104 -0.193 1.00 0.00 C ATOM 854 CD1 TRP A 58 -3.290 -14.497 1.017 1.00 0.00 C ATOM 855 CD2 TRP A 58 -1.451 -14.603 -0.258 1.00 0.00 C ATOM 856 NE1 TRP A 58 -2.340 -15.209 1.708 1.00 0.00 N ATOM 857 CE2 TRP A 58 -1.203 -15.289 0.947 1.00 0.00 C ATOM 858 CE3 TRP A 58 -0.437 -14.538 -1.217 1.00 0.00 C ATOM 859 CZ2 TRP A 58 0.017 -15.904 1.216 1.00 0.00 C ATOM 860 CZ3 TRP A 58 0.773 -15.149 -0.949 1.00 0.00 C ATOM 861 CH2 TRP A 58 0.992 -15.825 0.259 1.00 0.00 C ATOM 0 H TRP A 58 -5.797 -12.771 0.045 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.197 -11.397 -0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.342 -13.892 -1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.828 -13.135 -2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.285 -14.280 1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.461 -15.613 2.637 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.596 -14.020 -2.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 0.188 -16.425 2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.564 -15.105 -1.683 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.949 -16.293 0.438 1.00 0.00 H new ATOM 872 N VAL A 59 -3.898 -10.124 -2.312 1.00 0.00 N ATOM 873 CA VAL A 59 -4.349 -9.279 -3.411 1.00 0.00 C ATOM 874 C VAL A 59 -3.471 -9.465 -4.644 1.00 0.00 C ATOM 875 O VAL A 59 -2.448 -10.146 -4.592 1.00 0.00 O ATOM 876 CB VAL A 59 -4.347 -7.791 -3.012 1.00 0.00 C ATOM 877 CG1 VAL A 59 -5.230 -7.563 -1.795 1.00 0.00 C ATOM 878 CG2 VAL A 59 -2.927 -7.313 -2.748 1.00 0.00 C ATOM 0 H VAL A 59 -3.003 -9.848 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.369 -9.583 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.754 -7.210 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.216 -6.506 -1.528 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.252 -7.866 -2.025 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.856 -8.153 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.944 -6.260 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.491 -7.897 -1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.327 -7.439 -3.649 1.00 0.00 H new ATOM 888 N ASN A 60 -3.879 -8.854 -5.751 1.00 0.00 N ATOM 889 CA ASN A 60 -3.129 -8.952 -6.998 1.00 0.00 C ATOM 890 C ASN A 60 -1.850 -8.124 -6.931 1.00 0.00 C ATOM 891 O ASN A 60 -1.888 -6.925 -6.657 1.00 0.00 O ATOM 892 CB ASN A 60 -3.991 -8.485 -8.174 1.00 0.00 C ATOM 893 CG ASN A 60 -5.389 -9.070 -8.134 1.00 0.00 C ATOM 894 OD1 ASN A 60 -6.256 -8.587 -7.405 1.00 0.00 O ATOM 895 ND2 ASN A 60 -5.615 -10.116 -8.920 1.00 0.00 N ATOM 0 H ASN A 60 -4.724 -8.286 -5.810 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.857 -9.997 -7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.055 -7.397 -8.164 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.508 -8.768 -9.110 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.537 -10.552 -8.936 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.867 -10.483 -9.508 1.00 0.00 H new ATOM 902 N ALA A 61 -0.718 -8.773 -7.183 1.00 0.00 N ATOM 903 CA ALA A 61 0.573 -8.096 -7.153 1.00 0.00 C ATOM 904 C ALA A 61 0.521 -6.780 -7.921 1.00 0.00 C ATOM 905 O ALA A 61 1.234 -5.831 -7.595 1.00 0.00 O ATOM 906 CB ALA A 61 1.656 -9.000 -7.723 1.00 0.00 C ATOM 0 H ALA A 61 -0.669 -9.766 -7.410 1.00 0.00 H new ATOM 0 HA ALA A 61 0.813 -7.870 -6.114 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.615 -8.482 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.719 -9.912 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.412 -9.255 -8.754 1.00 0.00 H new ATOM 912 N ASP A 62 -0.325 -6.731 -8.944 1.00 0.00 N ATOM 913 CA ASP A 62 -0.470 -5.531 -9.759 1.00 0.00 C ATOM 914 C ASP A 62 -1.851 -4.910 -9.572 1.00 0.00 C ATOM 915 O ASP A 62 -2.446 -4.399 -10.521 1.00 0.00 O ATOM 916 CB ASP A 62 -0.241 -5.860 -11.235 1.00 0.00 C ATOM 917 CG ASP A 62 -1.225 -6.888 -11.759 1.00 0.00 C ATOM 918 OD1 ASP A 62 -2.306 -7.037 -11.152 1.00 0.00 O ATOM 919 OD2 ASP A 62 -0.914 -7.542 -12.776 1.00 0.00 O ATOM 0 H ASP A 62 -0.921 -7.509 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 62 0.280 -4.809 -9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.325 -4.947 -11.825 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.775 -6.233 -11.368 1.00 0.00 H new ATOM 924 N ALA A 63 -2.355 -4.960 -8.344 1.00 0.00 N ATOM 925 CA ALA A 63 -3.665 -4.402 -8.033 1.00 0.00 C ATOM 926 C ALA A 63 -3.634 -2.878 -8.062 1.00 0.00 C ATOM 927 O ALA A 63 -2.605 -2.262 -7.782 1.00 0.00 O ATOM 928 CB ALA A 63 -4.140 -4.896 -6.674 1.00 0.00 C ATOM 0 H ALA A 63 -1.876 -5.381 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.366 -4.740 -8.796 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.120 -4.471 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.210 -5.984 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.431 -4.587 -5.906 1.00 0.00 H new ATOM 934 N LEU A 64 -4.768 -2.274 -8.402 1.00 0.00 N ATOM 935 CA LEU A 64 -4.870 -0.820 -8.468 1.00 0.00 C ATOM 936 C LEU A 64 -5.324 -0.245 -7.131 1.00 0.00 C ATOM 937 O LEU A 64 -4.984 0.886 -6.782 1.00 0.00 O ATOM 938 CB LEU A 64 -5.846 -0.408 -9.572 1.00 0.00 C ATOM 939 CG LEU A 64 -5.608 -1.034 -10.946 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.744 -0.686 -11.895 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.274 -0.576 -11.517 1.00 0.00 C ATOM 0 H LEU A 64 -5.629 -2.768 -8.636 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.882 -0.420 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.856 -0.661 -9.250 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.808 0.676 -9.677 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.578 -2.117 -10.830 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.557 -1.140 -12.868 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.683 -1.064 -11.492 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.807 0.397 -12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.121 -1.032 -12.495 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.275 0.509 -11.618 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.469 -0.877 -10.847 1.00 0.00 H new ATOM 953 N ASP A 65 -6.093 -1.031 -6.385 1.00 0.00 N ATOM 954 CA ASP A 65 -6.592 -0.601 -5.084 1.00 0.00 C ATOM 955 C ASP A 65 -5.438 -0.271 -4.142 1.00 0.00 C ATOM 956 O ASP A 65 -5.471 0.736 -3.433 1.00 0.00 O ATOM 957 CB ASP A 65 -7.475 -1.687 -4.468 1.00 0.00 C ATOM 958 CG ASP A 65 -6.922 -3.081 -4.695 1.00 0.00 C ATOM 959 OD1 ASP A 65 -7.200 -3.663 -5.764 1.00 0.00 O ATOM 960 OD2 ASP A 65 -6.211 -3.588 -3.803 1.00 0.00 O ATOM 0 H ASP A 65 -6.384 -1.969 -6.659 1.00 0.00 H new ATOM 0 HA ASP A 65 -7.187 0.300 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.572 -1.508 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.476 -1.622 -4.894 1.00 0.00 H new ATOM 965 N ILE A 66 -4.421 -1.126 -4.138 1.00 0.00 N ATOM 966 CA ILE A 66 -3.258 -0.925 -3.284 1.00 0.00 C ATOM 967 C ILE A 66 -2.484 0.324 -3.693 1.00 0.00 C ATOM 968 O ILE A 66 -2.422 0.670 -4.873 1.00 0.00 O ATOM 969 CB ILE A 66 -2.311 -2.138 -3.326 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.716 -2.299 -4.727 1.00 0.00 C ATOM 971 CG2 ILE A 66 -3.050 -3.402 -2.911 1.00 0.00 C ATOM 972 CD1 ILE A 66 -0.757 -3.463 -4.846 1.00 0.00 C ATOM 0 H ILE A 66 -4.379 -1.965 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.632 -0.802 -2.268 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.496 -1.969 -2.622 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.526 -2.431 -5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.196 -1.381 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.367 -4.251 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.431 -3.284 -1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.882 -3.578 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.374 -3.516 -5.865 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.073 -3.323 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.278 -4.390 -4.605 1.00 0.00 H new ATOM 984 N HIS A 67 -1.893 0.996 -2.710 1.00 0.00 N ATOM 985 CA HIS A 67 -1.121 2.206 -2.968 1.00 0.00 C ATOM 986 C HIS A 67 0.051 2.320 -1.997 1.00 0.00 C ATOM 987 O HIS A 67 0.004 1.831 -0.869 1.00 0.00 O ATOM 988 CB HIS A 67 -2.014 3.442 -2.853 1.00 0.00 C ATOM 989 CG HIS A 67 -2.863 3.682 -4.064 1.00 0.00 C ATOM 990 ND1 HIS A 67 -2.341 4.039 -5.289 1.00 0.00 N ATOM 991 CD2 HIS A 67 -4.204 3.612 -4.233 1.00 0.00 C ATOM 992 CE1 HIS A 67 -3.325 4.181 -6.159 1.00 0.00 C ATOM 993 NE2 HIS A 67 -4.466 3.926 -5.543 1.00 0.00 N ATOM 0 H HIS A 67 -1.934 0.723 -1.728 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.727 2.145 -3.982 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -2.660 3.334 -1.982 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.388 4.317 -2.679 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.932 3.357 -3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.216 4.458 -7.197 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.391 3.957 -5.972 1.00 0.00 H new ATOM 1002 N PRO A 68 1.130 2.979 -2.446 1.00 0.00 N ATOM 1003 CA PRO A 68 2.335 3.171 -1.633 1.00 0.00 C ATOM 1004 C PRO A 68 2.104 4.137 -0.475 1.00 0.00 C ATOM 1005 O PRO A 68 1.298 5.061 -0.575 1.00 0.00 O ATOM 1006 CB PRO A 68 3.342 3.757 -2.625 1.00 0.00 C ATOM 1007 CG PRO A 68 2.507 4.415 -3.669 1.00 0.00 C ATOM 1008 CD PRO A 68 1.256 3.588 -3.780 1.00 0.00 C ATOM 0 HA PRO A 68 2.666 2.242 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.005 4.473 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.973 2.979 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.272 5.442 -3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.034 4.455 -4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.389 4.202 -4.025 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.342 2.832 -4.560 1.00 0.00 H new ATOM 1016 N VAL A 69 2.819 3.916 0.624 1.00 0.00 N ATOM 1017 CA VAL A 69 2.693 4.768 1.801 1.00 0.00 C ATOM 1018 C VAL A 69 2.714 6.243 1.417 1.00 0.00 C ATOM 1019 O VAL A 69 3.369 6.635 0.452 1.00 0.00 O ATOM 1020 CB VAL A 69 3.823 4.496 2.813 1.00 0.00 C ATOM 1021 CG1 VAL A 69 3.760 5.490 3.963 1.00 0.00 C ATOM 1022 CG2 VAL A 69 3.744 3.067 3.328 1.00 0.00 C ATOM 0 H VAL A 69 3.491 3.155 0.724 1.00 0.00 H new ATOM 0 HA VAL A 69 1.735 4.530 2.263 1.00 0.00 H new ATOM 0 HB VAL A 69 4.780 4.623 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.565 5.283 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.869 6.503 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.800 5.398 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.549 2.892 4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.784 2.910 3.819 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.842 2.373 2.493 1.00 0.00 H new ATOM 1032 N GLY A 70 1.990 7.058 2.179 1.00 0.00 N ATOM 1033 CA GLY A 70 1.939 8.481 1.903 1.00 0.00 C ATOM 1034 C GLY A 70 1.051 8.810 0.719 1.00 0.00 C ATOM 1035 O GLY A 70 1.340 9.731 -0.045 1.00 0.00 O ATOM 0 H GLY A 70 1.438 6.757 2.982 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.573 9.006 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.947 8.847 1.710 1.00 0.00 H new ATOM 1039 N TRP A 71 -0.031 8.056 0.566 1.00 0.00 N ATOM 1040 CA TRP A 71 -0.963 8.272 -0.535 1.00 0.00 C ATOM 1041 C TRP A 71 -2.054 9.261 -0.139 1.00 0.00 C ATOM 1042 O TRP A 71 -2.388 10.168 -0.902 1.00 0.00 O ATOM 1043 CB TRP A 71 -1.593 6.946 -0.965 1.00 0.00 C ATOM 1044 CG TRP A 71 -2.401 7.052 -2.222 1.00 0.00 C ATOM 1045 CD1 TRP A 71 -1.945 6.924 -3.503 1.00 0.00 C ATOM 1046 CD2 TRP A 71 -3.806 7.311 -2.318 1.00 0.00 C ATOM 1047 NE1 TRP A 71 -2.983 7.087 -4.390 1.00 0.00 N ATOM 1048 CE2 TRP A 71 -4.135 7.325 -3.688 1.00 0.00 C ATOM 1049 CE3 TRP A 71 -4.819 7.530 -1.381 1.00 0.00 C ATOM 1050 CZ2 TRP A 71 -5.432 7.550 -4.140 1.00 0.00 C ATOM 1051 CZ3 TRP A 71 -6.106 7.754 -1.831 1.00 0.00 C ATOM 1052 CH2 TRP A 71 -6.404 7.762 -3.200 1.00 0.00 C ATOM 0 H TRP A 71 -0.285 7.290 1.190 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.405 8.690 -1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.804 6.208 -1.110 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -2.231 6.578 -0.162 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.920 6.724 -3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -2.907 7.039 -5.406 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -4.600 7.524 -0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -5.663 7.557 -5.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.896 7.926 -1.115 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.420 7.939 -3.520 1.00 0.00 H new ATOM 1063 N CYS A 72 -2.603 9.082 1.057 1.00 0.00 N ATOM 1064 CA CYS A 72 -3.657 9.959 1.554 1.00 0.00 C ATOM 1065 C CYS A 72 -3.227 11.421 1.481 1.00 0.00 C ATOM 1066 O CYS A 72 -4.005 12.287 1.084 1.00 0.00 O ATOM 1067 CB CYS A 72 -4.018 9.593 2.994 1.00 0.00 C ATOM 1068 SG CYS A 72 -2.622 9.644 4.141 1.00 0.00 S ATOM 0 H CYS A 72 -2.336 8.337 1.701 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.535 9.825 0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.790 10.276 3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.448 8.591 3.006 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.028 9.322 5.333 1.00 0.00 H new ATOM 1074 N GLU A 73 -1.983 11.686 1.868 1.00 0.00 N ATOM 1075 CA GLU A 73 -1.451 13.044 1.848 1.00 0.00 C ATOM 1076 C GLU A 73 -1.152 13.491 0.420 1.00 0.00 C ATOM 1077 O GLU A 73 -1.362 14.650 0.063 1.00 0.00 O ATOM 1078 CB GLU A 73 -0.181 13.129 2.697 1.00 0.00 C ATOM 1079 CG GLU A 73 0.038 14.494 3.329 1.00 0.00 C ATOM 1080 CD GLU A 73 0.851 15.422 2.447 1.00 0.00 C ATOM 1081 OE1 GLU A 73 0.447 15.643 1.287 1.00 0.00 O ATOM 1082 OE2 GLU A 73 1.892 15.926 2.919 1.00 0.00 O ATOM 0 H GLU A 73 -1.326 10.980 2.199 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.206 13.709 2.267 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.229 12.377 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.679 12.884 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.928 14.952 3.539 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.546 14.370 4.285 1.00 0.00 H new ATOM 1089 N LYS A 74 -0.661 12.562 -0.394 1.00 0.00 N ATOM 1090 CA LYS A 74 -0.334 12.858 -1.783 1.00 0.00 C ATOM 1091 C LYS A 74 -1.573 13.306 -2.551 1.00 0.00 C ATOM 1092 O LYS A 74 -1.604 14.398 -3.119 1.00 0.00 O ATOM 1093 CB LYS A 74 0.280 11.628 -2.457 1.00 0.00 C ATOM 1094 CG LYS A 74 0.837 11.907 -3.842 1.00 0.00 C ATOM 1095 CD LYS A 74 1.236 10.625 -4.552 1.00 0.00 C ATOM 1096 CE LYS A 74 1.596 10.882 -6.007 1.00 0.00 C ATOM 1097 NZ LYS A 74 3.040 11.208 -6.172 1.00 0.00 N ATOM 0 H LYS A 74 -0.481 11.598 -0.115 1.00 0.00 H new ATOM 0 HA LYS A 74 0.392 13.671 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.078 11.239 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.478 10.848 -2.530 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.091 12.435 -4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.703 12.564 -3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.086 10.174 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.416 9.909 -4.500 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.352 10.002 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.992 11.704 -6.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.245 11.376 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.268 12.062 -5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 3.617 10.413 -5.829 1.00 0.00 H new ATOM 1111 N THR A 75 -2.595 12.456 -2.564 1.00 0.00 N ATOM 1112 CA THR A 75 -3.837 12.764 -3.261 1.00 0.00 C ATOM 1113 C THR A 75 -4.728 13.673 -2.422 1.00 0.00 C ATOM 1114 O THR A 75 -5.313 14.628 -2.931 1.00 0.00 O ATOM 1115 CB THR A 75 -4.617 11.483 -3.614 1.00 0.00 C ATOM 1116 OG1 THR A 75 -5.027 10.814 -2.416 1.00 0.00 O ATOM 1117 CG2 THR A 75 -3.765 10.547 -4.458 1.00 0.00 C ATOM 0 H THR A 75 -2.587 11.548 -2.099 1.00 0.00 H new ATOM 0 HA THR A 75 -3.562 13.278 -4.182 1.00 0.00 H new ATOM 0 HB THR A 75 -5.497 11.766 -4.191 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.375 9.926 -2.640 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.336 9.649 -4.695 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.479 11.049 -5.382 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.869 10.270 -3.903 1.00 0.00 H new ATOM 1125 N GLY A 76 -4.827 13.369 -1.131 1.00 0.00 N ATOM 1126 CA GLY A 76 -5.648 14.169 -0.241 1.00 0.00 C ATOM 1127 C GLY A 76 -6.884 13.428 0.228 1.00 0.00 C ATOM 1128 O GLY A 76 -7.996 13.953 0.158 1.00 0.00 O ATOM 0 H GLY A 76 -4.353 12.583 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.056 14.467 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.948 15.084 -0.752 1.00 0.00 H new ATOM 1132 N HIS A 77 -6.692 12.203 0.708 1.00 0.00 N ATOM 1133 CA HIS A 77 -7.802 11.388 1.190 1.00 0.00 C ATOM 1134 C HIS A 77 -7.661 11.107 2.683 1.00 0.00 C ATOM 1135 O HIS A 77 -6.754 11.619 3.339 1.00 0.00 O ATOM 1136 CB HIS A 77 -7.869 10.071 0.416 1.00 0.00 C ATOM 1137 CG HIS A 77 -9.242 9.475 0.366 1.00 0.00 C ATOM 1138 ND1 HIS A 77 -10.270 10.014 -0.379 1.00 0.00 N ATOM 1139 CD2 HIS A 77 -9.754 8.379 0.973 1.00 0.00 C ATOM 1140 CE1 HIS A 77 -11.355 9.276 -0.227 1.00 0.00 C ATOM 1141 NE2 HIS A 77 -11.069 8.278 0.589 1.00 0.00 N ATOM 0 H HIS A 77 -5.779 11.753 0.774 1.00 0.00 H new ATOM 0 HA HIS A 77 -8.726 11.944 1.028 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.518 10.239 -0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -7.187 9.355 0.874 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.227 7.709 1.636 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -12.313 9.458 -0.691 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -11.719 7.550 0.886 1.00 0.00 H new ATOM 1150 N LYS A 78 -8.566 10.292 3.214 1.00 0.00 N ATOM 1151 CA LYS A 78 -8.543 9.942 4.630 1.00 0.00 C ATOM 1152 C LYS A 78 -8.101 8.496 4.826 1.00 0.00 C ATOM 1153 O LYS A 78 -8.615 7.585 4.175 1.00 0.00 O ATOM 1154 CB LYS A 78 -9.926 10.152 5.250 1.00 0.00 C ATOM 1155 CG LYS A 78 -10.244 11.607 5.549 1.00 0.00 C ATOM 1156 CD LYS A 78 -11.202 11.739 6.721 1.00 0.00 C ATOM 1157 CE LYS A 78 -12.627 11.392 6.319 1.00 0.00 C ATOM 1158 NZ LYS A 78 -13.370 12.585 5.828 1.00 0.00 N ATOM 0 H LYS A 78 -9.325 9.861 2.685 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.825 10.593 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.682 9.755 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.992 9.577 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.322 12.144 5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.681 12.074 4.666 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.881 11.083 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.169 12.758 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.609 10.629 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.151 10.964 7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.337 12.307 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.409 13.303 6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.884 12.979 4.997 1.00 0.00 H new ATOM 1172 N LEU A 79 -7.146 8.291 5.726 1.00 0.00 N ATOM 1173 CA LEU A 79 -6.635 6.954 6.009 1.00 0.00 C ATOM 1174 C LEU A 79 -7.279 6.380 7.267 1.00 0.00 C ATOM 1175 O LEU A 79 -7.356 7.049 8.299 1.00 0.00 O ATOM 1176 CB LEU A 79 -5.115 6.991 6.173 1.00 0.00 C ATOM 1177 CG LEU A 79 -4.481 5.767 6.834 1.00 0.00 C ATOM 1178 CD1 LEU A 79 -4.728 4.521 5.998 1.00 0.00 C ATOM 1179 CD2 LEU A 79 -2.989 5.986 7.041 1.00 0.00 C ATOM 0 H LEU A 79 -6.710 9.033 6.273 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.888 6.310 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.666 7.120 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.854 7.872 6.760 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.946 5.623 7.809 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.269 3.660 6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.801 4.354 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.291 4.654 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.554 5.105 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.509 6.156 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.834 6.854 7.682 1.00 0.00 H new ATOM 1191 N HIS A 80 -7.740 5.136 7.176 1.00 0.00 N ATOM 1192 CA HIS A 80 -8.375 4.471 8.308 1.00 0.00 C ATOM 1193 C HIS A 80 -7.332 3.810 9.204 1.00 0.00 C ATOM 1194 O HIS A 80 -6.624 2.888 8.799 1.00 0.00 O ATOM 1195 CB HIS A 80 -9.377 3.426 7.816 1.00 0.00 C ATOM 1196 CG HIS A 80 -10.637 4.018 7.263 1.00 0.00 C ATOM 1197 ND1 HIS A 80 -11.872 3.841 7.849 1.00 0.00 N ATOM 1198 CD2 HIS A 80 -10.847 4.790 6.171 1.00 0.00 C ATOM 1199 CE1 HIS A 80 -12.788 4.477 7.142 1.00 0.00 C ATOM 1200 NE2 HIS A 80 -12.192 5.061 6.118 1.00 0.00 N ATOM 0 H HIS A 80 -7.685 4.569 6.330 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.904 5.225 8.891 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -8.904 2.815 7.047 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -9.630 2.760 8.641 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -10.097 5.129 5.472 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -13.844 4.514 7.363 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -12.656 5.622 5.404 1.00 0.00 H new ATOM 1209 N PRO A 81 -7.233 4.292 10.452 1.00 0.00 N ATOM 1210 CA PRO A 81 -6.279 3.763 11.432 1.00 0.00 C ATOM 1211 C PRO A 81 -6.647 2.359 11.899 1.00 0.00 C ATOM 1212 O PRO A 81 -7.795 1.926 11.797 1.00 0.00 O ATOM 1213 CB PRO A 81 -6.377 4.756 12.593 1.00 0.00 C ATOM 1214 CG PRO A 81 -7.740 5.345 12.475 1.00 0.00 C ATOM 1215 CD PRO A 81 -8.045 5.391 11.003 1.00 0.00 C ATOM 0 HA PRO A 81 -5.276 3.670 11.016 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.243 4.257 13.553 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.607 5.524 12.523 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.474 4.740 13.007 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.773 6.343 12.912 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -9.107 5.243 10.808 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.771 6.351 10.566 1.00 0.00 H new ATOM 1223 N PRO A 82 -5.651 1.630 12.423 1.00 0.00 N ATOM 1224 CA PRO A 82 -5.846 0.263 12.918 1.00 0.00 C ATOM 1225 C PRO A 82 -6.680 0.222 14.193 1.00 0.00 C ATOM 1226 O PRO A 82 -7.351 1.194 14.541 1.00 0.00 O ATOM 1227 CB PRO A 82 -4.421 -0.221 13.195 1.00 0.00 C ATOM 1228 CG PRO A 82 -3.641 1.023 13.446 1.00 0.00 C ATOM 1229 CD PRO A 82 -4.258 2.083 12.575 1.00 0.00 C ATOM 0 HA PRO A 82 -6.389 -0.356 12.203 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.390 -0.888 14.056 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.019 -0.776 12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.687 1.307 14.497 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.589 0.880 13.200 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.204 3.067 13.040 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.752 2.157 11.612 1.00 0.00 H new ATOM 1237 N LYS A 83 -6.635 -0.910 14.888 1.00 0.00 N ATOM 1238 CA LYS A 83 -7.385 -1.078 16.127 1.00 0.00 C ATOM 1239 C LYS A 83 -6.875 -0.128 17.205 1.00 0.00 C ATOM 1240 O LYS A 83 -5.679 -0.084 17.493 1.00 0.00 O ATOM 1241 CB LYS A 83 -7.282 -2.524 16.617 1.00 0.00 C ATOM 1242 CG LYS A 83 -5.957 -2.847 17.287 1.00 0.00 C ATOM 1243 CD LYS A 83 -5.603 -4.318 17.143 1.00 0.00 C ATOM 1244 CE LYS A 83 -6.154 -5.139 18.299 1.00 0.00 C ATOM 1245 NZ LYS A 83 -5.284 -5.054 19.504 1.00 0.00 N ATOM 0 H LYS A 83 -6.087 -1.725 14.614 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.430 -0.842 15.925 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.092 -2.719 17.320 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.425 -3.196 15.771 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.168 -2.237 16.847 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -6.010 -2.586 18.344 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.001 -4.699 16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.520 -4.430 17.099 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -7.155 -4.788 18.549 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.248 -6.181 17.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.694 -5.627 20.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.335 -5.412 19.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.214 -4.063 19.813 1.00 0.00 H new ATOM 1259 N GLY A 84 -7.790 0.632 17.800 1.00 0.00 N ATOM 1260 CA GLY A 84 -7.413 1.570 18.840 1.00 0.00 C ATOM 1261 C GLY A 84 -6.419 2.606 18.355 1.00 0.00 C ATOM 1262 O GLY A 84 -5.429 2.892 19.030 1.00 0.00 O ATOM 0 H GLY A 84 -8.786 0.614 17.580 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.305 2.074 19.211 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.983 1.023 19.679 1.00 0.00 H new ATOM 1266 N TYR A 85 -6.680 3.170 17.181 1.00 0.00 N ATOM 1267 CA TYR A 85 -5.798 4.177 16.603 1.00 0.00 C ATOM 1268 C TYR A 85 -6.598 5.226 15.837 1.00 0.00 C ATOM 1269 O TYR A 85 -7.578 4.908 15.163 1.00 0.00 O ATOM 1270 CB TYR A 85 -4.777 3.519 15.673 1.00 0.00 C ATOM 1271 CG TYR A 85 -3.501 3.106 16.371 1.00 0.00 C ATOM 1272 CD1 TYR A 85 -2.508 4.037 16.652 1.00 0.00 C ATOM 1273 CD2 TYR A 85 -3.287 1.786 16.748 1.00 0.00 C ATOM 1274 CE1 TYR A 85 -1.340 3.665 17.289 1.00 0.00 C ATOM 1275 CE2 TYR A 85 -2.123 1.405 17.386 1.00 0.00 C ATOM 1276 CZ TYR A 85 -1.152 2.348 17.654 1.00 0.00 C ATOM 1277 OH TYR A 85 0.010 1.972 18.289 1.00 0.00 O ATOM 0 H TYR A 85 -7.496 2.947 16.611 1.00 0.00 H new ATOM 0 HA TYR A 85 -5.270 4.672 17.418 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.230 2.641 15.213 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.533 4.211 14.867 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.652 5.069 16.367 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -4.044 1.045 16.538 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.578 4.401 17.500 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -1.974 0.375 17.674 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.017 1.011 18.478 1.00 0.00 H new ATOM 1287 N LYS A 86 -6.171 6.480 15.944 1.00 0.00 N ATOM 1288 CA LYS A 86 -6.844 7.579 15.261 1.00 0.00 C ATOM 1289 C LYS A 86 -5.962 8.155 14.157 1.00 0.00 C ATOM 1290 O LYS A 86 -4.776 7.838 14.069 1.00 0.00 O ATOM 1291 CB LYS A 86 -7.213 8.678 16.259 1.00 0.00 C ATOM 1292 CG LYS A 86 -8.516 8.419 16.995 1.00 0.00 C ATOM 1293 CD LYS A 86 -9.720 8.744 16.127 1.00 0.00 C ATOM 1294 CE LYS A 86 -10.151 10.194 16.291 1.00 0.00 C ATOM 1295 NZ LYS A 86 -9.462 11.090 15.321 1.00 0.00 N ATOM 0 H LYS A 86 -5.362 6.761 16.498 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.755 7.188 14.808 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.408 8.781 16.987 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.287 9.628 15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.560 7.374 17.303 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.548 9.021 17.903 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.479 8.551 15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.548 8.085 16.390 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.230 10.270 16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.935 10.524 17.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.901 11.796 15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.833 10.526 14.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.170 11.574 14.732 1.00 0.00 H new ATOM 1309 N GLU A 87 -6.549 9.003 13.319 1.00 0.00 N ATOM 1310 CA GLU A 87 -5.815 9.623 12.222 1.00 0.00 C ATOM 1311 C GLU A 87 -4.853 10.686 12.744 1.00 0.00 C ATOM 1312 O GLU A 87 -3.654 10.641 12.469 1.00 0.00 O ATOM 1313 CB GLU A 87 -6.786 10.248 11.218 1.00 0.00 C ATOM 1314 CG GLU A 87 -6.099 11.033 10.114 1.00 0.00 C ATOM 1315 CD GLU A 87 -4.957 10.265 9.475 1.00 0.00 C ATOM 1316 OE1 GLU A 87 -3.903 10.118 10.129 1.00 0.00 O ATOM 1317 OE2 GLU A 87 -5.118 9.811 8.323 1.00 0.00 O ATOM 0 H GLU A 87 -7.530 9.276 13.378 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.236 8.847 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.389 9.459 10.769 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.470 10.909 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.830 11.292 9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.719 11.970 10.522 1.00 0.00 H new ATOM 1324 N GLU A 88 -5.388 11.642 13.498 1.00 0.00 N ATOM 1325 CA GLU A 88 -4.577 12.717 14.057 1.00 0.00 C ATOM 1326 C GLU A 88 -3.492 12.160 14.974 1.00 0.00 C ATOM 1327 O GLU A 88 -2.396 12.712 15.062 1.00 0.00 O ATOM 1328 CB GLU A 88 -5.457 13.701 14.829 1.00 0.00 C ATOM 1329 CG GLU A 88 -6.291 13.047 15.918 1.00 0.00 C ATOM 1330 CD GLU A 88 -6.978 14.059 16.814 1.00 0.00 C ATOM 1331 OE1 GLU A 88 -6.268 14.805 17.521 1.00 0.00 O ATOM 1332 OE2 GLU A 88 -8.226 14.105 16.810 1.00 0.00 O ATOM 0 H GLU A 88 -6.379 11.694 13.735 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.096 13.242 13.231 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.824 14.466 15.278 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.122 14.207 14.129 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.043 12.405 15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.651 12.406 16.524 1.00 0.00 H new ATOM 1339 N GLU A 89 -3.807 11.062 15.654 1.00 0.00 N ATOM 1340 CA GLU A 89 -2.860 10.431 16.566 1.00 0.00 C ATOM 1341 C GLU A 89 -1.860 9.569 15.800 1.00 0.00 C ATOM 1342 O GLU A 89 -0.648 9.716 15.957 1.00 0.00 O ATOM 1343 CB GLU A 89 -3.601 9.578 17.597 1.00 0.00 C ATOM 1344 CG GLU A 89 -4.292 10.393 18.677 1.00 0.00 C ATOM 1345 CD GLU A 89 -3.388 10.679 19.860 1.00 0.00 C ATOM 1346 OE1 GLU A 89 -2.201 10.994 19.636 1.00 0.00 O ATOM 1347 OE2 GLU A 89 -3.868 10.589 21.010 1.00 0.00 O ATOM 0 H GLU A 89 -4.710 10.591 15.591 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.313 11.219 17.084 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.343 8.966 17.084 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.894 8.894 18.066 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.636 11.336 18.251 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.176 9.857 19.022 1.00 0.00 H new ATOM 1354 N PHE A 90 -2.378 8.668 14.972 1.00 0.00 N ATOM 1355 CA PHE A 90 -1.532 7.780 14.183 1.00 0.00 C ATOM 1356 C PHE A 90 -0.981 8.502 12.956 1.00 0.00 C ATOM 1357 O PHE A 90 -1.737 9.016 12.134 1.00 0.00 O ATOM 1358 CB PHE A 90 -2.320 6.542 13.749 1.00 0.00 C ATOM 1359 CG PHE A 90 -1.466 5.477 13.123 1.00 0.00 C ATOM 1360 CD1 PHE A 90 -0.715 4.620 13.912 1.00 0.00 C ATOM 1361 CD2 PHE A 90 -1.414 5.332 11.746 1.00 0.00 C ATOM 1362 CE1 PHE A 90 0.072 3.639 13.339 1.00 0.00 C ATOM 1363 CE2 PHE A 90 -0.630 4.351 11.168 1.00 0.00 C ATOM 1364 CZ PHE A 90 0.115 3.505 11.965 1.00 0.00 C ATOM 0 H PHE A 90 -3.379 8.533 14.830 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.694 7.468 14.807 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.831 6.124 14.616 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.091 6.842 13.039 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.745 4.720 14.987 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.992 5.993 11.117 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.653 2.978 13.965 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.600 4.246 10.093 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.730 2.740 11.515 1.00 0.00 H new ATOM 1374 N ASN A 91 0.343 8.535 12.842 1.00 0.00 N ATOM 1375 CA ASN A 91 0.997 9.194 11.717 1.00 0.00 C ATOM 1376 C ASN A 91 2.028 8.274 11.071 1.00 0.00 C ATOM 1377 O ASN A 91 2.840 7.656 11.759 1.00 0.00 O ATOM 1378 CB ASN A 91 1.670 10.488 12.179 1.00 0.00 C ATOM 1379 CG ASN A 91 1.683 11.551 11.098 1.00 0.00 C ATOM 1380 OD1 ASN A 91 0.942 11.465 10.118 1.00 0.00 O ATOM 1381 ND2 ASN A 91 2.528 12.561 11.271 1.00 0.00 N ATOM 0 H ASN A 91 0.984 8.113 13.514 1.00 0.00 H new ATOM 0 HA ASN A 91 0.235 9.433 10.975 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.149 10.872 13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.694 10.273 12.485 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.581 13.306 10.576 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.124 12.592 12.099 1.00 0.00 H new ATOM 1388 N TRP A 92 1.988 8.188 9.747 1.00 0.00 N ATOM 1389 CA TRP A 92 2.919 7.343 9.007 1.00 0.00 C ATOM 1390 C TRP A 92 4.354 7.590 9.459 1.00 0.00 C ATOM 1391 O TRP A 92 4.980 6.722 10.068 1.00 0.00 O ATOM 1392 CB TRP A 92 2.793 7.603 7.505 1.00 0.00 C ATOM 1393 CG TRP A 92 1.784 6.721 6.833 1.00 0.00 C ATOM 1394 CD1 TRP A 92 0.597 7.108 6.281 1.00 0.00 C ATOM 1395 CD2 TRP A 92 1.875 5.305 6.644 1.00 0.00 C ATOM 1396 NE1 TRP A 92 -0.057 6.017 5.760 1.00 0.00 N ATOM 1397 CE2 TRP A 92 0.707 4.899 5.969 1.00 0.00 C ATOM 1398 CE3 TRP A 92 2.829 4.340 6.977 1.00 0.00 C ATOM 1399 CZ2 TRP A 92 0.470 3.571 5.624 1.00 0.00 C ATOM 1400 CZ3 TRP A 92 2.593 3.023 6.634 1.00 0.00 C ATOM 1401 CH2 TRP A 92 1.421 2.648 5.963 1.00 0.00 C ATOM 0 H TRP A 92 1.321 8.693 9.163 1.00 0.00 H new ATOM 0 HA TRP A 92 2.667 6.302 9.211 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.517 8.645 7.346 1.00 0.00 H new ATOM 0 HB3 TRP A 92 3.765 7.455 7.035 1.00 0.00 H new ATOM 0 HD1 TRP A 92 0.226 8.122 6.257 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -0.964 6.037 5.294 1.00 0.00 H new ATOM 0 HE3 TRP A 92 3.735 4.619 7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -0.433 3.280 5.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 3.324 2.269 6.887 1.00 0.00 H new ATOM 0 HH2 TRP A 92 1.266 1.610 5.709 1.00 0.00 H new ATOM 1412 N GLN A 93 4.869 8.778 9.159 1.00 0.00 N ATOM 1413 CA GLN A 93 6.232 9.137 9.535 1.00 0.00 C ATOM 1414 C GLN A 93 6.494 8.814 11.002 1.00 0.00 C ATOM 1415 O GLN A 93 7.551 8.288 11.354 1.00 0.00 O ATOM 1416 CB GLN A 93 6.480 10.623 9.275 1.00 0.00 C ATOM 1417 CG GLN A 93 5.385 11.527 9.818 1.00 0.00 C ATOM 1418 CD GLN A 93 5.433 12.922 9.226 1.00 0.00 C ATOM 1419 OE1 GLN A 93 5.474 13.916 9.952 1.00 0.00 O ATOM 1420 NE2 GLN A 93 5.428 13.003 7.901 1.00 0.00 N ATOM 0 H GLN A 93 4.364 9.508 8.657 1.00 0.00 H new ATOM 0 HA GLN A 93 6.918 8.550 8.925 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.431 10.908 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.574 10.785 8.201 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.413 11.081 9.608 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.478 11.593 10.902 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.393 12.153 7.338 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.459 13.915 7.446 1.00 0.00 H new ATOM 1429 N THR A 94 5.526 9.133 11.856 1.00 0.00 N ATOM 1430 CA THR A 94 5.653 8.879 13.285 1.00 0.00 C ATOM 1431 C THR A 94 5.777 7.387 13.569 1.00 0.00 C ATOM 1432 O THR A 94 6.518 6.974 14.462 1.00 0.00 O ATOM 1433 CB THR A 94 4.448 9.440 14.064 1.00 0.00 C ATOM 1434 OG1 THR A 94 4.347 10.854 13.859 1.00 0.00 O ATOM 1435 CG2 THR A 94 4.582 9.147 15.551 1.00 0.00 C ATOM 0 H THR A 94 4.645 9.568 11.582 1.00 0.00 H new ATOM 0 HA THR A 94 6.559 9.386 13.617 1.00 0.00 H new ATOM 0 HB THR A 94 3.545 8.954 13.693 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.495 11.177 14.220 1.00 0.00 H new ATOM 0 HG21 THR A 94 3.720 9.552 16.081 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.630 8.069 15.707 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.493 9.609 15.932 1.00 0.00 H new ATOM 1443 N TYR A 95 5.048 6.581 12.805 1.00 0.00 N ATOM 1444 CA TYR A 95 5.076 5.133 12.976 1.00 0.00 C ATOM 1445 C TYR A 95 6.309 4.530 12.313 1.00 0.00 C ATOM 1446 O TYR A 95 6.777 3.458 12.701 1.00 0.00 O ATOM 1447 CB TYR A 95 3.809 4.505 12.391 1.00 0.00 C ATOM 1448 CG TYR A 95 3.805 2.994 12.440 1.00 0.00 C ATOM 1449 CD1 TYR A 95 4.496 2.309 13.432 1.00 0.00 C ATOM 1450 CD2 TYR A 95 3.108 2.251 11.495 1.00 0.00 C ATOM 1451 CE1 TYR A 95 4.495 0.929 13.480 1.00 0.00 C ATOM 1452 CE2 TYR A 95 3.100 0.870 11.537 1.00 0.00 C ATOM 1453 CZ TYR A 95 3.795 0.214 12.531 1.00 0.00 C ATOM 1454 OH TYR A 95 3.791 -1.162 12.576 1.00 0.00 O ATOM 0 H TYR A 95 4.430 6.906 12.061 1.00 0.00 H new ATOM 0 HA TYR A 95 5.120 4.919 14.044 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.943 4.880 12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.699 4.827 11.356 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.043 2.866 14.178 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.563 2.762 10.715 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.039 0.412 14.257 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.552 0.307 10.795 1.00 0.00 H new ATOM 0 HH TYR A 95 3.250 -1.512 11.837 1.00 0.00 H new ATOM 1464 N LEU A 96 6.833 5.225 11.309 1.00 0.00 N ATOM 1465 CA LEU A 96 8.014 4.760 10.590 1.00 0.00 C ATOM 1466 C LEU A 96 9.291 5.176 11.313 1.00 0.00 C ATOM 1467 O LEU A 96 10.379 4.687 11.006 1.00 0.00 O ATOM 1468 CB LEU A 96 8.018 5.314 9.164 1.00 0.00 C ATOM 1469 CG LEU A 96 6.762 5.045 8.336 1.00 0.00 C ATOM 1470 CD1 LEU A 96 6.536 6.163 7.330 1.00 0.00 C ATOM 1471 CD2 LEU A 96 6.866 3.701 7.629 1.00 0.00 C ATOM 0 H LEU A 96 6.458 6.113 10.974 1.00 0.00 H new ATOM 0 HA LEU A 96 7.979 3.671 10.550 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.171 6.392 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.874 4.895 8.635 1.00 0.00 H new ATOM 0 HG LEU A 96 5.906 5.012 9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.637 5.954 6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.415 7.109 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.393 6.229 6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.963 3.527 7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.732 3.704 6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.978 2.908 8.369 1.00 0.00 H new ATOM 1483 N LYS A 97 9.151 6.079 12.277 1.00 0.00 N ATOM 1484 CA LYS A 97 10.292 6.559 13.048 1.00 0.00 C ATOM 1485 C LYS A 97 10.448 5.765 14.341 1.00 0.00 C ATOM 1486 O LYS A 97 11.563 5.534 14.810 1.00 0.00 O ATOM 1487 CB LYS A 97 10.129 8.047 13.367 1.00 0.00 C ATOM 1488 CG LYS A 97 9.400 8.312 14.673 1.00 0.00 C ATOM 1489 CD LYS A 97 10.365 8.391 15.844 1.00 0.00 C ATOM 1490 CE LYS A 97 9.833 9.296 16.945 1.00 0.00 C ATOM 1491 NZ LYS A 97 8.458 8.909 17.365 1.00 0.00 N ATOM 0 H LYS A 97 8.258 6.494 12.543 1.00 0.00 H new ATOM 0 HA LYS A 97 11.190 6.419 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.114 8.511 13.410 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.586 8.527 12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.842 9.245 14.596 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.673 7.520 14.852 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.536 7.392 16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.329 8.765 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.501 9.253 17.805 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.829 10.329 16.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.203 9.421 18.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.784 9.150 16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 8.425 7.885 17.545 1.00 0.00 H new ATOM 1505 N THR A 98 9.323 5.347 14.913 1.00 0.00 N ATOM 1506 CA THR A 98 9.335 4.579 16.151 1.00 0.00 C ATOM 1507 C THR A 98 9.781 3.143 15.903 1.00 0.00 C ATOM 1508 O THR A 98 10.406 2.519 16.762 1.00 0.00 O ATOM 1509 CB THR A 98 7.947 4.565 16.817 1.00 0.00 C ATOM 1510 OG1 THR A 98 8.076 4.280 18.215 1.00 0.00 O ATOM 1511 CG2 THR A 98 7.043 3.530 16.165 1.00 0.00 C ATOM 0 H THR A 98 8.392 5.528 14.538 1.00 0.00 H new ATOM 0 HA THR A 98 10.045 5.067 16.818 1.00 0.00 H new ATOM 0 HB THR A 98 7.498 5.550 16.687 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.189 4.275 18.631 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.068 3.539 16.653 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.922 3.767 15.108 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.490 2.541 16.266 1.00 0.00 H new ATOM 1519 N CYS A 99 9.457 2.623 14.723 1.00 0.00 N ATOM 1520 CA CYS A 99 9.825 1.259 14.362 1.00 0.00 C ATOM 1521 C CYS A 99 10.836 1.253 13.220 1.00 0.00 C ATOM 1522 O CYS A 99 10.971 0.263 12.500 1.00 0.00 O ATOM 1523 CB CYS A 99 8.582 0.462 13.963 1.00 0.00 C ATOM 1524 SG CYS A 99 7.784 -0.398 15.339 1.00 0.00 S ATOM 0 H CYS A 99 8.941 3.126 14.001 1.00 0.00 H new ATOM 0 HA CYS A 99 10.284 0.790 15.232 1.00 0.00 H new ATOM 0 HB2 CYS A 99 7.861 1.139 13.504 1.00 0.00 H new ATOM 0 HB3 CYS A 99 8.860 -0.269 13.204 1.00 0.00 H new ATOM 0 HG CYS A 99 6.742 -1.041 14.903 1.00 0.00 H new ATOM 1530 N LYS A 100 11.544 2.365 13.057 1.00 0.00 N ATOM 1531 CA LYS A 100 12.543 2.490 12.002 1.00 0.00 C ATOM 1532 C LYS A 100 12.142 1.677 10.775 1.00 0.00 C ATOM 1533 O LYS A 100 12.987 1.067 10.120 1.00 0.00 O ATOM 1534 CB LYS A 100 13.910 2.028 12.510 1.00 0.00 C ATOM 1535 CG LYS A 100 13.843 0.815 13.421 1.00 0.00 C ATOM 1536 CD LYS A 100 13.492 1.207 14.847 1.00 0.00 C ATOM 1537 CE LYS A 100 14.087 0.235 15.855 1.00 0.00 C ATOM 1538 NZ LYS A 100 15.562 0.393 15.974 1.00 0.00 N ATOM 0 H LYS A 100 11.444 3.194 13.643 1.00 0.00 H new ATOM 0 HA LYS A 100 12.605 3.540 11.716 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.546 1.795 11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.385 2.849 13.047 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.099 0.115 13.042 1.00 0.00 H new ATOM 0 HG3 LYS A 100 14.802 0.298 13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.859 2.213 15.050 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.408 1.234 14.962 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.625 0.394 16.829 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.854 -0.787 15.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.893 -0.077 16.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.025 -0.038 15.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.801 1.404 16.016 1.00 0.00 H new ATOM 1552 N ALA A 101 10.849 1.675 10.469 1.00 0.00 N ATOM 1553 CA ALA A 101 10.338 0.940 9.318 1.00 0.00 C ATOM 1554 C ALA A 101 10.487 1.754 8.037 1.00 0.00 C ATOM 1555 O ALA A 101 10.541 2.983 8.075 1.00 0.00 O ATOM 1556 CB ALA A 101 8.881 0.560 9.539 1.00 0.00 C ATOM 0 H ALA A 101 10.136 2.174 11.002 1.00 0.00 H new ATOM 0 HA ALA A 101 10.927 0.029 9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.512 0.012 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 101 8.799 -0.067 10.427 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.286 1.463 9.677 1.00 0.00 H new ATOM 1562 N GLN A 102 10.552 1.060 6.905 1.00 0.00 N ATOM 1563 CA GLN A 102 10.696 1.720 5.613 1.00 0.00 C ATOM 1564 C GLN A 102 9.456 1.504 4.751 1.00 0.00 C ATOM 1565 O GLN A 102 8.943 0.390 4.652 1.00 0.00 O ATOM 1566 CB GLN A 102 11.935 1.197 4.885 1.00 0.00 C ATOM 1567 CG GLN A 102 13.222 1.362 5.678 1.00 0.00 C ATOM 1568 CD GLN A 102 14.282 0.351 5.287 1.00 0.00 C ATOM 1569 OE1 GLN A 102 13.983 -0.819 5.048 1.00 0.00 O ATOM 1570 NE2 GLN A 102 15.531 0.799 5.220 1.00 0.00 N ATOM 0 H GLN A 102 10.507 0.042 6.857 1.00 0.00 H new ATOM 0 HA GLN A 102 10.812 2.789 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.792 0.141 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 102 12.035 1.720 3.934 1.00 0.00 H new ATOM 0 HG2 GLN A 102 13.612 2.369 5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 102 13.004 1.262 6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.734 1.777 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 102 16.287 0.165 4.962 1.00 0.00 H new ATOM 1579 N ALA A 103 8.980 2.578 4.129 1.00 0.00 N ATOM 1580 CA ALA A 103 7.802 2.505 3.274 1.00 0.00 C ATOM 1581 C ALA A 103 8.135 1.856 1.935 1.00 0.00 C ATOM 1582 O ALA A 103 9.206 2.083 1.374 1.00 0.00 O ATOM 1583 CB ALA A 103 7.219 3.894 3.059 1.00 0.00 C ATOM 0 H ALA A 103 9.392 3.508 4.201 1.00 0.00 H new ATOM 0 HA ALA A 103 7.059 1.884 3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.340 3.824 2.419 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.935 4.322 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.964 4.532 2.584 1.00 0.00 H new ATOM 1589 N ALA A 104 7.209 1.048 1.428 1.00 0.00 N ATOM 1590 CA ALA A 104 7.404 0.368 0.154 1.00 0.00 C ATOM 1591 C ALA A 104 7.772 1.357 -0.947 1.00 0.00 C ATOM 1592 O ALA A 104 7.271 2.480 -0.998 1.00 0.00 O ATOM 1593 CB ALA A 104 6.151 -0.407 -0.228 1.00 0.00 C ATOM 0 H ALA A 104 6.317 0.849 1.880 1.00 0.00 H new ATOM 0 HA ALA A 104 8.231 -0.332 0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.311 -0.910 -1.182 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.933 -1.148 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.311 0.281 -0.317 1.00 0.00 H new ATOM 1599 N PRO A 105 8.670 0.933 -1.849 1.00 0.00 N ATOM 1600 CA PRO A 105 9.125 1.768 -2.965 1.00 0.00 C ATOM 1601 C PRO A 105 8.034 1.986 -4.008 1.00 0.00 C ATOM 1602 O PRO A 105 7.465 1.031 -4.536 1.00 0.00 O ATOM 1603 CB PRO A 105 10.281 0.961 -3.562 1.00 0.00 C ATOM 1604 CG PRO A 105 9.991 -0.451 -3.188 1.00 0.00 C ATOM 1605 CD PRO A 105 9.308 -0.394 -1.849 1.00 0.00 C ATOM 0 HA PRO A 105 9.409 2.768 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 105 10.330 1.082 -4.644 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.240 1.288 -3.161 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.353 -0.928 -3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.909 -1.036 -3.133 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.575 -1.193 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.020 -0.498 -1.030 1.00 0.00 H new ATOM 1613 N LYS A 106 7.747 3.250 -4.300 1.00 0.00 N ATOM 1614 CA LYS A 106 6.725 3.596 -5.281 1.00 0.00 C ATOM 1615 C LYS A 106 6.937 2.827 -6.581 1.00 0.00 C ATOM 1616 O LYS A 106 5.999 2.621 -7.352 1.00 0.00 O ATOM 1617 CB LYS A 106 6.743 5.101 -5.558 1.00 0.00 C ATOM 1618 CG LYS A 106 7.894 5.542 -6.446 1.00 0.00 C ATOM 1619 CD LYS A 106 9.104 5.957 -5.626 1.00 0.00 C ATOM 1620 CE LYS A 106 9.068 7.440 -5.291 1.00 0.00 C ATOM 1621 NZ LYS A 106 10.142 7.818 -4.331 1.00 0.00 N ATOM 0 H LYS A 106 8.208 4.052 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 106 5.754 3.320 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.802 5.387 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.801 5.636 -4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 106 8.170 4.728 -7.117 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.574 6.376 -7.071 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.137 5.375 -4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.015 5.730 -6.179 1.00 0.00 H new ATOM 0 HE2 LYS A 106 9.178 8.022 -6.206 1.00 0.00 H new ATOM 0 HE3 LYS A 106 8.096 7.693 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.084 8.836 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 10.023 7.282 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 11.071 7.600 -4.746 1.00 0.00 H new ATOM 1635 N SER A 107 8.174 2.403 -6.818 1.00 0.00 N ATOM 1636 CA SER A 107 8.509 1.658 -8.026 1.00 0.00 C ATOM 1637 C SER A 107 7.610 0.434 -8.177 1.00 0.00 C ATOM 1638 O SER A 107 7.368 -0.040 -9.287 1.00 0.00 O ATOM 1639 CB SER A 107 9.976 1.226 -7.994 1.00 0.00 C ATOM 1640 OG SER A 107 10.218 0.319 -6.932 1.00 0.00 O ATOM 0 H SER A 107 8.961 2.563 -6.189 1.00 0.00 H new ATOM 0 HA SER A 107 8.349 2.313 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.242 0.759 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.614 2.102 -7.880 1.00 0.00 H new ATOM 0 HG SER A 107 11.162 0.057 -6.934 1.00 0.00 H new ATOM 1646 N LEU A 108 7.117 -0.072 -7.052 1.00 0.00 N ATOM 1647 CA LEU A 108 6.244 -1.240 -7.056 1.00 0.00 C ATOM 1648 C LEU A 108 4.888 -0.905 -7.670 1.00 0.00 C ATOM 1649 O LEU A 108 4.292 -1.724 -8.369 1.00 0.00 O ATOM 1650 CB LEU A 108 6.056 -1.766 -5.632 1.00 0.00 C ATOM 1651 CG LEU A 108 7.178 -2.652 -5.090 1.00 0.00 C ATOM 1652 CD1 LEU A 108 6.931 -2.993 -3.629 1.00 0.00 C ATOM 1653 CD2 LEU A 108 7.305 -3.920 -5.922 1.00 0.00 C ATOM 0 H LEU A 108 7.307 0.309 -6.125 1.00 0.00 H new ATOM 0 HA LEU A 108 6.716 -2.013 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.939 -0.913 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.124 -2.331 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 108 8.116 -2.101 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.740 -3.624 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.892 -2.075 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 108 5.984 -3.525 -3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.108 -4.539 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.367 -4.475 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 108 7.530 -3.656 -6.955 1.00 0.00 H new ATOM 1665 N PHE A 109 4.408 0.306 -7.405 1.00 0.00 N ATOM 1666 CA PHE A 109 3.123 0.751 -7.933 1.00 0.00 C ATOM 1667 C PHE A 109 3.317 1.636 -9.160 1.00 0.00 C ATOM 1668 O PHE A 109 2.615 2.632 -9.336 1.00 0.00 O ATOM 1669 CB PHE A 109 2.344 1.512 -6.858 1.00 0.00 C ATOM 1670 CG PHE A 109 2.399 0.863 -5.505 1.00 0.00 C ATOM 1671 CD1 PHE A 109 3.520 1.000 -4.702 1.00 0.00 C ATOM 1672 CD2 PHE A 109 1.330 0.118 -5.035 1.00 0.00 C ATOM 1673 CE1 PHE A 109 3.574 0.404 -3.457 1.00 0.00 C ATOM 1674 CE2 PHE A 109 1.378 -0.480 -3.790 1.00 0.00 C ATOM 1675 CZ PHE A 109 2.502 -0.336 -2.999 1.00 0.00 C ATOM 0 H PHE A 109 4.889 0.996 -6.828 1.00 0.00 H new ATOM 0 HA PHE A 109 2.554 -0.130 -8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.740 2.525 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.303 1.599 -7.168 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.361 1.579 -5.054 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.449 0.003 -5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.455 0.517 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 109 0.538 -1.059 -3.436 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.542 -0.801 -2.025 1.00 0.00 H new ATOM 1685 N GLU A 110 4.273 1.265 -10.006 1.00 0.00 N ATOM 1686 CA GLU A 110 4.559 2.027 -11.216 1.00 0.00 C ATOM 1687 C GLU A 110 3.447 1.850 -12.246 1.00 0.00 C ATOM 1688 O GLU A 110 2.978 2.819 -12.841 1.00 0.00 O ATOM 1689 CB GLU A 110 5.898 1.591 -11.815 1.00 0.00 C ATOM 1690 CG GLU A 110 5.981 0.101 -12.101 1.00 0.00 C ATOM 1691 CD GLU A 110 5.524 -0.250 -13.504 1.00 0.00 C ATOM 1692 OE1 GLU A 110 5.864 0.498 -14.443 1.00 0.00 O ATOM 1693 OE2 GLU A 110 4.826 -1.273 -13.661 1.00 0.00 O ATOM 0 H GLU A 110 4.862 0.442 -9.876 1.00 0.00 H new ATOM 0 HA GLU A 110 4.616 3.081 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.068 2.140 -12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.700 1.866 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.009 -0.235 -11.963 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.369 -0.439 -11.378 1.00 0.00 H new ATOM 1700 N ASN A 111 3.032 0.604 -12.451 1.00 0.00 N ATOM 1701 CA ASN A 111 1.976 0.298 -13.410 1.00 0.00 C ATOM 1702 C ASN A 111 0.934 1.412 -13.444 1.00 0.00 C ATOM 1703 O ASN A 111 0.569 1.901 -14.513 1.00 0.00 O ATOM 1704 CB ASN A 111 1.307 -1.031 -13.056 1.00 0.00 C ATOM 1705 CG ASN A 111 2.284 -2.191 -13.066 1.00 0.00 C ATOM 1706 OD1 ASN A 111 2.436 -2.881 -14.074 1.00 0.00 O ATOM 1707 ND2 ASN A 111 2.953 -2.410 -11.940 1.00 0.00 N ATOM 0 H ASN A 111 3.410 -0.210 -11.966 1.00 0.00 H new ATOM 0 HA ASN A 111 2.428 0.217 -14.398 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.850 -0.953 -12.070 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.503 -1.230 -13.765 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.625 -3.176 -11.887 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.795 -1.813 -11.129 1.00 0.00 H new