USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 789 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 46 CYS SG : rot -72:sc= 1.25 USER MOD Set 1.2: A 52 CYS SG : rot 180:sc= 1.16 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.54 X(o=-1.5,f=-1.4) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0494 X(o=-0.049,f=-0.33) USER MOD Single : A 36 ASN : amide:sc= -6.52! C(o=-6.5!,f=-15!) USER MOD Single : A 37 ASN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -53:sc= -0.0844 USER MOD Single : A 54 THR OG1 : rot -96:sc= 0.977 USER MOD Single : A 55 CYS SG : rot 80:sc= -0.288 USER MOD Single : A 61 GLN : amide:sc= -0.0053 X(o=-0.0053,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00324 USER MOD Single : A 75 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.83!) USER MOD Single : A 77 MET CE :methyl 164:sc= -2.6! (180deg=-3.4!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -10:sc= -1.39 USER MOD Single : A 88 SER OG : rot 170:sc= -0.0113 USER MOD Single : A 92 CYS SG : rot -170:sc= -7.23! USER MOD Single : A 93 GLN : amide:sc= -3.88! C(o=-3.9!,f=-5.1!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.0126 USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 100 MET CE :methyl 147:sc= -7.18! (180deg=-11.3!) USER MOD Single : A 102 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.5!) USER MOD Single : A 103 MET CE :methyl -123:sc= -5.8! (180deg=-11.5!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.651 USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 5 9.662 16.335 -4.876 1.00 0.00 N ATOM 51 CA ASP A 5 8.257 15.974 -4.973 1.00 0.00 C ATOM 52 C ASP A 5 7.911 14.985 -3.859 1.00 0.00 C ATOM 53 O ASP A 5 8.787 14.289 -3.347 1.00 0.00 O ATOM 54 CB ASP A 5 7.952 15.303 -6.314 1.00 0.00 C ATOM 55 CG ASP A 5 8.351 16.112 -7.549 1.00 0.00 C ATOM 56 OD1 ASP A 5 7.597 16.979 -8.015 1.00 0.00 O ATOM 57 OD2 ASP A 5 9.507 15.820 -8.043 1.00 0.00 O ATOM 0 HA ASP A 5 7.667 16.886 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.465 14.342 -6.347 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.883 15.096 -6.364 1.00 0.00 H new ATOM 63 N LYS A 6 6.632 14.954 -3.515 1.00 0.00 N ATOM 64 CA LYS A 6 6.160 14.061 -2.470 1.00 0.00 C ATOM 65 C LYS A 6 4.633 14.131 -2.397 1.00 0.00 C ATOM 66 O LYS A 6 4.055 15.216 -2.447 1.00 0.00 O ATOM 67 CB LYS A 6 6.854 14.374 -1.143 1.00 0.00 C ATOM 68 CG LYS A 6 6.416 15.738 -0.604 1.00 0.00 C ATOM 69 CD LYS A 6 7.543 16.764 -0.729 1.00 0.00 C ATOM 70 CE LYS A 6 7.815 17.446 0.613 1.00 0.00 C ATOM 0 H LYS A 6 5.908 15.533 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 6 6.422 13.029 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.619 13.598 -0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.935 14.364 -1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.540 16.086 -1.152 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.121 15.642 0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.450 16.272 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.276 17.513 -1.474 1.00 0.00 H new ATOM 84 N ILE A 7 4.024 12.960 -2.280 1.00 0.00 N ATOM 85 CA ILE A 7 2.575 12.875 -2.200 1.00 0.00 C ATOM 86 C ILE A 7 2.170 12.490 -0.776 1.00 0.00 C ATOM 87 O ILE A 7 3.023 12.343 0.097 1.00 0.00 O ATOM 88 CB ILE A 7 2.035 11.926 -3.271 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.107 10.471 -2.802 1.00 0.00 C ATOM 90 CG2 ILE A 7 2.757 12.133 -4.604 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.007 9.630 -3.453 1.00 0.00 C ATOM 0 H ILE A 7 4.507 12.063 -2.239 1.00 0.00 H new ATOM 0 HA ILE A 7 2.123 13.845 -2.409 1.00 0.00 H new ATOM 0 HB ILE A 7 0.983 12.161 -3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.083 10.053 -3.049 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.008 10.429 -1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.353 11.445 -5.347 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.611 13.159 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.822 11.942 -4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.081 8.600 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.032 10.036 -3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.124 9.654 -4.536 1.00 0.00 H new ATOM 103 N THR A 8 0.867 12.340 -0.586 1.00 0.00 N ATOM 104 CA THR A 8 0.338 11.976 0.717 1.00 0.00 C ATOM 105 C THR A 8 -0.374 10.625 0.645 1.00 0.00 C ATOM 106 O THR A 8 -1.136 10.369 -0.288 1.00 0.00 O ATOM 107 CB THR A 8 -0.565 13.114 1.195 1.00 0.00 C ATOM 108 OG1 THR A 8 0.243 14.280 1.061 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.861 13.037 2.694 1.00 0.00 C ATOM 0 H THR A 8 0.162 12.464 -1.313 1.00 0.00 H new ATOM 0 HA THR A 8 1.138 11.848 1.447 1.00 0.00 H new ATOM 0 HB THR A 8 -1.502 13.091 0.638 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.267 15.066 1.348 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.506 13.868 2.981 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.362 12.095 2.918 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.073 13.093 3.253 1.00 0.00 H new ATOM 117 N VAL A 9 -0.103 9.794 1.640 1.00 0.00 N ATOM 118 CA VAL A 9 -0.709 8.474 1.701 1.00 0.00 C ATOM 119 C VAL A 9 -1.292 8.250 3.097 1.00 0.00 C ATOM 120 O VAL A 9 -0.667 8.595 4.098 1.00 0.00 O ATOM 121 CB VAL A 9 0.316 7.410 1.303 1.00 0.00 C ATOM 122 CG1 VAL A 9 -0.336 6.028 1.215 1.00 0.00 C ATOM 123 CG2 VAL A 9 1.005 7.776 -0.014 1.00 0.00 C ATOM 0 H VAL A 9 0.529 10.009 2.412 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.531 8.397 0.989 1.00 0.00 H new ATOM 0 HB VAL A 9 1.079 7.373 2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.414 5.290 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.758 5.762 2.184 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.129 6.047 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.728 7.003 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.259 7.855 -0.805 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.519 8.731 0.097 1.00 0.00 H new ATOM 133 N HIS A 10 -2.485 7.673 3.120 1.00 0.00 N ATOM 134 CA HIS A 10 -3.160 7.398 4.376 1.00 0.00 C ATOM 135 C HIS A 10 -3.265 5.886 4.582 1.00 0.00 C ATOM 136 O HIS A 10 -3.463 5.137 3.627 1.00 0.00 O ATOM 137 CB HIS A 10 -4.519 8.099 4.428 1.00 0.00 C ATOM 138 CG HIS A 10 -4.432 9.607 4.432 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.024 10.331 5.538 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.704 10.519 3.454 1.00 0.00 C ATOM 141 CE1 HIS A 10 -4.053 11.619 5.230 1.00 0.00 C ATOM 0 H HIS A 10 -3.001 7.388 2.288 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.576 7.803 5.203 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.113 7.782 3.571 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.050 7.773 5.322 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -3.748 9.939 6.438 1.00 0.00 H new ATOM 150 N PHE A 11 -3.127 5.480 5.837 1.00 0.00 N ATOM 151 CA PHE A 11 -3.204 4.071 6.181 1.00 0.00 C ATOM 152 C PHE A 11 -4.097 3.853 7.404 1.00 0.00 C ATOM 153 O PHE A 11 -3.868 4.445 8.458 1.00 0.00 O ATOM 154 CB PHE A 11 -1.783 3.614 6.513 1.00 0.00 C ATOM 155 CG PHE A 11 -0.833 3.612 5.314 1.00 0.00 C ATOM 156 CD1 PHE A 11 -0.386 4.789 4.800 1.00 0.00 C ATOM 157 CD2 PHE A 11 -0.434 2.434 4.764 1.00 0.00 C ATOM 158 CE1 PHE A 11 0.495 4.788 3.686 1.00 0.00 C ATOM 159 CE2 PHE A 11 0.447 2.433 3.651 1.00 0.00 C ATOM 160 CZ PHE A 11 0.893 3.609 3.136 1.00 0.00 C ATOM 0 H PHE A 11 -2.962 6.103 6.627 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.629 3.508 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.374 4.265 7.286 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.824 2.609 6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.701 5.724 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.787 1.499 5.174 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.849 5.722 3.276 1.00 0.00 H new ATOM 0 HE2 PHE A 11 0.763 1.498 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.564 3.608 2.290 1.00 0.00 H new ATOM 170 N ILE A 12 -5.097 3.003 7.224 1.00 0.00 N ATOM 171 CA ILE A 12 -6.025 2.700 8.299 1.00 0.00 C ATOM 172 C ILE A 12 -5.531 1.469 9.061 1.00 0.00 C ATOM 173 O ILE A 12 -5.714 0.340 8.610 1.00 0.00 O ATOM 174 CB ILE A 12 -7.447 2.556 7.755 1.00 0.00 C ATOM 175 CG1 ILE A 12 -7.769 3.671 6.758 1.00 0.00 C ATOM 176 CG2 ILE A 12 -8.468 2.493 8.894 1.00 0.00 C ATOM 177 CD1 ILE A 12 -8.908 3.260 5.823 1.00 0.00 C ATOM 0 H ILE A 12 -5.285 2.514 6.349 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.063 3.523 9.012 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.510 1.612 7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.046 4.577 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.881 3.907 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.471 2.391 8.479 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.250 1.636 9.531 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.411 3.408 9.484 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.116 4.071 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.619 2.368 5.267 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.802 3.048 6.410 1.00 0.00 H new ATOM 189 N ASN A 13 -4.915 1.729 10.205 1.00 0.00 N ATOM 190 CA ASN A 13 -4.393 0.656 11.035 1.00 0.00 C ATOM 191 C ASN A 13 -5.524 -0.318 11.373 1.00 0.00 C ATOM 192 O ASN A 13 -6.650 0.101 11.636 1.00 0.00 O ATOM 193 CB ASN A 13 -3.830 1.200 12.349 1.00 0.00 C ATOM 194 CG ASN A 13 -2.478 0.561 12.672 1.00 0.00 C ATOM 195 OD1 ASN A 13 -2.246 -0.613 12.441 1.00 0.00 O ATOM 196 ND2 ASN A 13 -1.600 1.399 13.218 1.00 0.00 N ATOM 0 H ASN A 13 -4.766 2.667 10.577 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.598 0.158 10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.718 2.282 12.280 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.532 1.003 13.159 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.668 1.069 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.859 2.371 13.385 1.00 0.00 H new ATOM 203 N ARG A 14 -5.184 -1.598 11.356 1.00 0.00 N ATOM 204 CA ARG A 14 -6.157 -2.634 11.657 1.00 0.00 C ATOM 205 C ARG A 14 -6.949 -2.271 12.915 1.00 0.00 C ATOM 206 O ARG A 14 -8.087 -2.705 13.083 1.00 0.00 O ATOM 207 CB ARG A 14 -5.473 -3.987 11.867 1.00 0.00 C ATOM 208 CG ARG A 14 -4.295 -3.862 12.836 1.00 0.00 C ATOM 209 CD ARG A 14 -3.228 -4.918 12.541 1.00 0.00 C ATOM 210 NE ARG A 14 -2.663 -5.433 13.809 1.00 0.00 N ATOM 211 CZ ARG A 14 -1.647 -6.319 13.878 1.00 0.00 C ATOM 212 NH1 ARG A 14 -1.074 -6.795 12.753 1.00 0.00 N ATOM 213 NH2 ARG A 14 -1.221 -6.712 15.064 1.00 0.00 N ATOM 0 H ARG A 14 -4.248 -1.941 11.139 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.834 -2.709 10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.194 -4.706 12.256 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.122 -4.373 10.910 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.858 -2.866 12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.649 -3.974 13.861 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.663 -5.737 11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.436 -4.486 11.929 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.066 -5.098 14.684 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.408 -6.486 11.840 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.307 -7.464 12.815 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.659 -6.347 15.910 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.454 -7.381 15.135 1.00 0.00 H new ATOM 226 N ASP A 15 -6.314 -1.476 13.765 1.00 0.00 N ATOM 227 CA ASP A 15 -6.946 -1.049 15.002 1.00 0.00 C ATOM 228 C ASP A 15 -8.192 -0.223 14.675 1.00 0.00 C ATOM 229 O ASP A 15 -9.198 -0.306 15.378 1.00 0.00 O ATOM 230 CB ASP A 15 -6.002 -0.172 15.827 1.00 0.00 C ATOM 231 CG ASP A 15 -5.748 -0.661 17.254 1.00 0.00 C ATOM 232 OD1 ASP A 15 -5.844 -1.863 17.545 1.00 0.00 O ATOM 233 OD2 ASP A 15 -5.435 0.262 18.099 1.00 0.00 O ATOM 0 H ASP A 15 -5.370 -1.117 13.621 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.205 -1.940 15.574 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.047 -0.103 15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.413 0.836 15.872 1.00 0.00 H new ATOM 239 N GLY A 16 -8.085 0.553 13.607 1.00 0.00 N ATOM 240 CA GLY A 16 -9.191 1.393 13.178 1.00 0.00 C ATOM 241 C GLY A 16 -8.735 2.840 12.977 1.00 0.00 C ATOM 242 O GLY A 16 -9.455 3.646 12.390 1.00 0.00 O ATOM 0 H GLY A 16 -7.249 0.618 13.026 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.606 1.006 12.247 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.988 1.359 13.921 1.00 0.00 H new ATOM 246 N GLU A 17 -7.541 3.126 13.478 1.00 0.00 N ATOM 247 CA GLU A 17 -6.981 4.461 13.360 1.00 0.00 C ATOM 248 C GLU A 17 -6.453 4.693 11.943 1.00 0.00 C ATOM 249 O GLU A 17 -6.158 3.741 11.223 1.00 0.00 O ATOM 250 CB GLU A 17 -5.880 4.687 14.399 1.00 0.00 C ATOM 251 CG GLU A 17 -4.660 3.814 14.103 1.00 0.00 C ATOM 252 CD GLU A 17 -3.799 3.632 15.355 1.00 0.00 C ATOM 253 OE1 GLU A 17 -4.061 2.727 16.160 1.00 0.00 O ATOM 254 OE2 GLU A 17 -2.827 4.472 15.475 1.00 0.00 O ATOM 0 H GLU A 17 -6.947 2.456 13.966 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.773 5.184 13.554 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.588 5.737 14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.262 4.459 15.394 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.985 2.840 13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.065 4.270 13.312 1.00 0.00 H new ATOM 262 N THR A 18 -6.351 5.964 11.584 1.00 0.00 N ATOM 263 CA THR A 18 -5.864 6.334 10.266 1.00 0.00 C ATOM 264 C THR A 18 -4.518 7.052 10.377 1.00 0.00 C ATOM 265 O THR A 18 -4.389 8.025 11.119 1.00 0.00 O ATOM 266 CB THR A 18 -6.946 7.170 9.579 1.00 0.00 C ATOM 267 OG1 THR A 18 -7.999 6.242 9.335 1.00 0.00 O ATOM 268 CG2 THR A 18 -6.528 7.636 8.184 1.00 0.00 C ATOM 0 H THR A 18 -6.598 6.751 12.184 1.00 0.00 H new ATOM 0 HA THR A 18 -5.676 5.453 9.652 1.00 0.00 H new ATOM 0 HB THR A 18 -7.180 8.038 10.196 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.743 6.701 8.893 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.331 8.225 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.629 8.247 8.259 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.325 6.768 7.556 1.00 0.00 H new ATOM 276 N LEU A 19 -3.550 6.545 9.628 1.00 0.00 N ATOM 277 CA LEU A 19 -2.218 7.128 9.632 1.00 0.00 C ATOM 278 C LEU A 19 -2.053 8.023 8.403 1.00 0.00 C ATOM 279 O LEU A 19 -2.602 7.731 7.341 1.00 0.00 O ATOM 280 CB LEU A 19 -1.155 6.033 9.743 1.00 0.00 C ATOM 281 CG LEU A 19 -1.127 5.257 11.061 1.00 0.00 C ATOM 282 CD1 LEU A 19 -1.868 6.018 12.163 1.00 0.00 C ATOM 283 CD2 LEU A 19 -1.672 3.840 10.876 1.00 0.00 C ATOM 0 H LEU A 19 -3.661 5.738 9.015 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.083 7.762 10.508 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.306 5.323 8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.176 6.488 9.591 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.089 5.163 11.378 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.833 5.444 13.089 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.393 6.987 12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.907 6.166 11.868 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.641 3.311 11.828 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.702 3.890 10.522 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.063 3.308 10.145 1.00 0.00 H new ATOM 295 N THR A 20 -1.296 9.094 8.587 1.00 0.00 N ATOM 296 CA THR A 20 -1.051 10.034 7.506 1.00 0.00 C ATOM 297 C THR A 20 0.444 10.110 7.193 1.00 0.00 C ATOM 298 O THR A 20 1.229 10.587 8.011 1.00 0.00 O ATOM 299 CB THR A 20 -1.659 11.380 7.903 1.00 0.00 C ATOM 300 OG1 THR A 20 -3.065 11.167 7.817 1.00 0.00 O ATOM 301 CG2 THR A 20 -1.383 12.475 6.871 1.00 0.00 C ATOM 0 H THR A 20 -0.843 9.332 9.470 1.00 0.00 H new ATOM 0 HA THR A 20 -1.527 9.707 6.582 1.00 0.00 H new ATOM 0 HB THR A 20 -1.261 11.685 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.536 11.991 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 20 -1.836 13.409 7.202 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.307 12.612 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.809 12.185 5.910 1.00 0.00 H new ATOM 309 N THR A 21 0.794 9.633 6.007 1.00 0.00 N ATOM 310 CA THR A 21 2.180 9.641 5.576 1.00 0.00 C ATOM 311 C THR A 21 2.303 10.267 4.185 1.00 0.00 C ATOM 312 O THR A 21 1.301 10.466 3.501 1.00 0.00 O ATOM 313 CB THR A 21 2.706 8.206 5.646 1.00 0.00 C ATOM 314 OG1 THR A 21 4.099 8.332 5.372 1.00 0.00 O ATOM 315 CG2 THR A 21 2.178 7.334 4.505 1.00 0.00 C ATOM 0 H THR A 21 0.140 9.238 5.331 1.00 0.00 H new ATOM 0 HA THR A 21 2.794 10.259 6.231 1.00 0.00 H new ATOM 0 HB THR A 21 2.426 7.763 6.602 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.519 7.447 5.399 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.581 6.326 4.601 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.090 7.295 4.550 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.487 7.759 3.550 1.00 0.00 H new ATOM 323 N LYS A 22 3.540 10.557 3.809 1.00 0.00 N ATOM 324 CA LYS A 22 3.807 11.156 2.512 1.00 0.00 C ATOM 325 C LYS A 22 4.895 10.352 1.798 1.00 0.00 C ATOM 326 O LYS A 22 5.960 10.105 2.362 1.00 0.00 O ATOM 327 CB LYS A 22 4.140 12.642 2.666 1.00 0.00 C ATOM 328 CG LYS A 22 5.530 12.832 3.277 1.00 0.00 C ATOM 329 CD LYS A 22 5.902 14.313 3.342 1.00 0.00 C ATOM 330 CE LYS A 22 4.986 15.067 4.310 1.00 0.00 C ATOM 0 H LYS A 22 4.368 10.388 4.380 1.00 0.00 H new ATOM 0 HA LYS A 22 2.917 11.116 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.097 13.131 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.393 13.122 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.552 12.403 4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.269 12.294 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.939 14.417 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.828 14.754 2.348 1.00 0.00 H new ATOM 344 N GLY A 23 4.590 9.966 0.569 1.00 0.00 N ATOM 345 CA GLY A 23 5.529 9.195 -0.229 1.00 0.00 C ATOM 346 C GLY A 23 5.839 9.903 -1.549 1.00 0.00 C ATOM 347 O GLY A 23 4.986 10.599 -2.099 1.00 0.00 O ATOM 0 H GLY A 23 3.705 10.172 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.451 9.045 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.115 8.207 -0.431 1.00 0.00 H new ATOM 351 N LYS A 24 7.060 9.701 -2.020 1.00 0.00 N ATOM 352 CA LYS A 24 7.492 10.312 -3.266 1.00 0.00 C ATOM 353 C LYS A 24 7.280 9.322 -4.413 1.00 0.00 C ATOM 354 O LYS A 24 7.990 8.324 -4.517 1.00 0.00 O ATOM 355 CB LYS A 24 8.933 10.814 -3.145 1.00 0.00 C ATOM 356 CG LYS A 24 9.863 9.699 -2.660 1.00 0.00 C ATOM 357 CD LYS A 24 11.245 9.820 -3.306 1.00 0.00 C ATOM 358 CE LYS A 24 12.337 9.951 -2.243 1.00 0.00 C ATOM 0 H LYS A 24 7.764 9.123 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 24 6.890 11.193 -3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.276 11.184 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.972 11.653 -2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.959 9.746 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.429 8.728 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.439 8.944 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.268 10.688 -3.965 1.00 0.00 H new ATOM 372 N ILE A 25 6.299 9.635 -5.247 1.00 0.00 N ATOM 373 CA ILE A 25 5.984 8.787 -6.384 1.00 0.00 C ATOM 374 C ILE A 25 7.274 8.171 -6.928 1.00 0.00 C ATOM 375 O ILE A 25 8.008 8.815 -7.675 1.00 0.00 O ATOM 376 CB ILE A 25 5.187 9.568 -7.431 1.00 0.00 C ATOM 377 CG1 ILE A 25 5.307 8.916 -8.809 1.00 0.00 C ATOM 378 CG2 ILE A 25 5.606 11.039 -7.453 1.00 0.00 C ATOM 379 CD1 ILE A 25 4.273 9.490 -9.781 1.00 0.00 C ATOM 0 H ILE A 25 5.712 10.464 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 25 5.341 7.962 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 25 4.134 9.538 -7.152 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.310 9.075 -9.204 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.167 7.839 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.025 11.572 -8.206 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.426 11.483 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.666 11.112 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.381 9.009 -10.753 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.270 9.307 -9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.431 10.563 -9.888 1.00 0.00 H new ATOM 391 N GLY A 26 7.512 6.928 -6.531 1.00 0.00 N ATOM 392 CA GLY A 26 8.701 6.217 -6.970 1.00 0.00 C ATOM 393 C GLY A 26 9.360 5.479 -5.803 1.00 0.00 C ATOM 394 O GLY A 26 10.238 4.643 -6.009 1.00 0.00 O ATOM 0 H GLY A 26 6.902 6.396 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.436 5.505 -7.752 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.410 6.921 -7.407 1.00 0.00 H new ATOM 398 N ASP A 27 8.910 5.816 -4.603 1.00 0.00 N ATOM 399 CA ASP A 27 9.445 5.195 -3.403 1.00 0.00 C ATOM 400 C ASP A 27 8.560 4.012 -3.007 1.00 0.00 C ATOM 401 O ASP A 27 7.335 4.122 -3.007 1.00 0.00 O ATOM 402 CB ASP A 27 9.464 6.182 -2.234 1.00 0.00 C ATOM 403 CG ASP A 27 9.470 5.541 -0.845 1.00 0.00 C ATOM 404 OD1 ASP A 27 8.913 6.093 0.116 1.00 0.00 O ATOM 405 OD2 ASP A 27 10.086 4.410 -0.769 1.00 0.00 O ATOM 0 H ASP A 27 8.182 6.510 -4.436 1.00 0.00 H new ATOM 0 HA ASP A 27 10.463 4.869 -3.618 1.00 0.00 H new ATOM 0 HB2 ASP A 27 10.345 6.816 -2.328 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.593 6.832 -2.313 1.00 0.00 H new ATOM 411 N SER A 28 9.214 2.908 -2.679 1.00 0.00 N ATOM 412 CA SER A 28 8.502 1.705 -2.283 1.00 0.00 C ATOM 413 C SER A 28 7.539 2.021 -1.137 1.00 0.00 C ATOM 414 O SER A 28 7.951 2.109 0.018 1.00 0.00 O ATOM 415 CB SER A 28 9.475 0.600 -1.869 1.00 0.00 C ATOM 416 OG SER A 28 10.020 -0.081 -2.996 1.00 0.00 O ATOM 0 H SER A 28 10.230 2.821 -2.679 1.00 0.00 H new ATOM 0 HA SER A 28 7.932 1.347 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.284 1.031 -1.280 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.960 -0.115 -1.228 1.00 0.00 H new ATOM 0 HG SER A 28 10.638 -0.778 -2.690 1.00 0.00 H new ATOM 422 N LEU A 29 6.274 2.183 -1.497 1.00 0.00 N ATOM 423 CA LEU A 29 5.249 2.488 -0.513 1.00 0.00 C ATOM 424 C LEU A 29 5.378 1.521 0.667 1.00 0.00 C ATOM 425 O LEU A 29 4.954 1.833 1.778 1.00 0.00 O ATOM 426 CB LEU A 29 3.864 2.484 -1.162 1.00 0.00 C ATOM 427 CG LEU A 29 3.382 1.139 -1.708 1.00 0.00 C ATOM 428 CD1 LEU A 29 4.306 0.634 -2.818 1.00 0.00 C ATOM 429 CD2 LEU A 29 3.227 0.114 -0.582 1.00 0.00 C ATOM 0 H LEU A 29 5.936 2.109 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 29 5.387 3.495 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.140 2.836 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.866 3.206 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 29 2.396 1.284 -2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.940 -0.324 -3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.323 1.356 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.314 0.509 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.883 -0.833 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.188 -0.033 -0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.499 0.478 0.143 1.00 0.00 H new ATOM 441 N LEU A 30 5.962 0.367 0.383 1.00 0.00 N ATOM 442 CA LEU A 30 6.152 -0.648 1.406 1.00 0.00 C ATOM 443 C LEU A 30 7.141 -0.131 2.454 1.00 0.00 C ATOM 444 O LEU A 30 7.017 -0.445 3.637 1.00 0.00 O ATOM 445 CB LEU A 30 6.565 -1.977 0.772 1.00 0.00 C ATOM 446 CG LEU A 30 7.302 -2.957 1.689 1.00 0.00 C ATOM 447 CD1 LEU A 30 6.637 -3.024 3.065 1.00 0.00 C ATOM 448 CD2 LEU A 30 7.414 -4.337 1.039 1.00 0.00 C ATOM 0 H LEU A 30 6.310 0.112 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 30 5.214 -0.847 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.670 -2.469 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.202 -1.765 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 30 8.317 -2.589 1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.179 -3.727 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.652 -2.036 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.605 -3.357 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.942 -5.014 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.416 -4.728 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.964 -4.254 0.102 1.00 0.00 H new ATOM 460 N ASP A 31 8.099 0.651 1.980 1.00 0.00 N ATOM 461 CA ASP A 31 9.109 1.213 2.861 1.00 0.00 C ATOM 462 C ASP A 31 8.541 2.452 3.556 1.00 0.00 C ATOM 463 O ASP A 31 8.851 2.714 4.717 1.00 0.00 O ATOM 464 CB ASP A 31 10.350 1.640 2.074 1.00 0.00 C ATOM 465 CG ASP A 31 11.101 0.502 1.383 1.00 0.00 C ATOM 466 OD1 ASP A 31 10.548 -0.586 1.162 1.00 0.00 O ATOM 467 OD2 ASP A 31 12.323 0.769 1.064 1.00 0.00 O ATOM 0 H ASP A 31 8.198 0.909 0.998 1.00 0.00 H new ATOM 0 HA ASP A 31 9.387 0.448 3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.051 2.368 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.035 2.148 2.753 1.00 0.00 H new ATOM 473 N VAL A 32 7.717 3.181 2.817 1.00 0.00 N ATOM 474 CA VAL A 32 7.103 4.385 3.348 1.00 0.00 C ATOM 475 C VAL A 32 6.704 4.150 4.806 1.00 0.00 C ATOM 476 O VAL A 32 6.991 4.974 5.673 1.00 0.00 O ATOM 477 CB VAL A 32 5.924 4.803 2.466 1.00 0.00 C ATOM 478 CG1 VAL A 32 5.070 5.867 3.161 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.408 5.294 1.100 1.00 0.00 C ATOM 0 H VAL A 32 7.461 2.960 1.855 1.00 0.00 H new ATOM 0 HA VAL A 32 7.812 5.213 3.335 1.00 0.00 H new ATOM 0 HB VAL A 32 5.299 3.925 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.239 6.147 2.513 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.681 5.467 4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.681 6.746 3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.551 5.585 0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.066 6.153 1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.953 4.495 0.598 1.00 0.00 H new ATOM 489 N VAL A 33 6.051 3.020 5.032 1.00 0.00 N ATOM 490 CA VAL A 33 5.610 2.665 6.371 1.00 0.00 C ATOM 491 C VAL A 33 6.830 2.353 7.238 1.00 0.00 C ATOM 492 O VAL A 33 6.929 2.825 8.370 1.00 0.00 O ATOM 493 CB VAL A 33 4.612 1.507 6.303 1.00 0.00 C ATOM 494 CG1 VAL A 33 4.506 0.796 7.654 1.00 0.00 C ATOM 495 CG2 VAL A 33 3.240 1.992 5.829 1.00 0.00 C ATOM 0 H VAL A 33 5.816 2.338 4.311 1.00 0.00 H new ATOM 0 HA VAL A 33 5.086 3.501 6.836 1.00 0.00 H new ATOM 0 HB VAL A 33 4.983 0.787 5.573 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.790 -0.023 7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.482 0.400 7.935 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.170 1.503 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.550 1.149 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.859 2.741 6.523 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.333 2.432 4.836 1.00 0.00 H new ATOM 505 N VAL A 34 7.730 1.559 6.675 1.00 0.00 N ATOM 506 CA VAL A 34 8.940 1.178 7.382 1.00 0.00 C ATOM 507 C VAL A 34 9.684 2.438 7.827 1.00 0.00 C ATOM 508 O VAL A 34 10.134 2.529 8.968 1.00 0.00 O ATOM 509 CB VAL A 34 9.792 0.258 6.505 1.00 0.00 C ATOM 510 CG1 VAL A 34 11.169 0.026 7.131 1.00 0.00 C ATOM 511 CG2 VAL A 34 9.077 -1.068 6.245 1.00 0.00 C ATOM 0 H VAL A 34 7.644 1.169 5.736 1.00 0.00 H new ATOM 0 HA VAL A 34 8.695 0.612 8.280 1.00 0.00 H new ATOM 0 HB VAL A 34 9.939 0.752 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 34 11.755 -0.631 6.488 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.684 0.980 7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.050 -0.437 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.704 -1.703 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.884 -1.570 7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.132 -0.878 5.737 1.00 0.00 H new ATOM 521 N GLN A 35 9.791 3.382 6.902 1.00 0.00 N ATOM 522 CA GLN A 35 10.474 4.633 7.184 1.00 0.00 C ATOM 523 C GLN A 35 9.689 5.443 8.218 1.00 0.00 C ATOM 524 O GLN A 35 10.277 6.170 9.018 1.00 0.00 O ATOM 525 CB GLN A 35 10.688 5.441 5.903 1.00 0.00 C ATOM 526 CG GLN A 35 11.720 4.767 4.996 1.00 0.00 C ATOM 527 CD GLN A 35 13.065 5.493 5.061 1.00 0.00 C ATOM 528 OE1 GLN A 35 13.147 6.708 4.987 1.00 0.00 O ATOM 529 NE2 GLN A 35 14.110 4.683 5.204 1.00 0.00 N ATOM 0 H GLN A 35 9.416 3.305 5.957 1.00 0.00 H new ATOM 0 HA GLN A 35 11.456 4.404 7.598 1.00 0.00 H new ATOM 0 HB2 GLN A 35 9.742 5.543 5.371 1.00 0.00 H new ATOM 0 HB3 GLN A 35 11.022 6.447 6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 35 11.849 3.727 5.296 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.356 4.759 3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.970 3.674 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.052 5.071 5.258 1.00 0.00 H new ATOM 538 N ASN A 36 8.374 5.291 8.170 1.00 0.00 N ATOM 539 CA ASN A 36 7.504 5.998 9.093 1.00 0.00 C ATOM 540 C ASN A 36 7.631 5.378 10.485 1.00 0.00 C ATOM 541 O ASN A 36 7.359 6.035 11.489 1.00 0.00 O ATOM 542 CB ASN A 36 6.040 5.894 8.660 1.00 0.00 C ATOM 543 CG ASN A 36 5.102 6.325 9.790 1.00 0.00 C ATOM 544 OD1 ASN A 36 5.036 5.714 10.844 1.00 0.00 O ATOM 545 ND2 ASN A 36 4.382 7.408 9.512 1.00 0.00 N ATOM 0 H ASN A 36 7.890 4.688 7.505 1.00 0.00 H new ATOM 0 HA ASN A 36 7.804 7.046 9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.871 6.520 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.816 4.868 8.367 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.726 7.775 10.201 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.486 7.872 8.610 1.00 0.00 H new ATOM 552 N ASN A 37 8.044 4.119 10.501 1.00 0.00 N ATOM 553 CA ASN A 37 8.210 3.402 11.754 1.00 0.00 C ATOM 554 C ASN A 37 6.848 3.246 12.432 1.00 0.00 C ATOM 555 O ASN A 37 6.719 3.478 13.634 1.00 0.00 O ATOM 556 CB ASN A 37 9.129 4.167 12.708 1.00 0.00 C ATOM 557 CG ASN A 37 9.792 3.218 13.709 1.00 0.00 C ATOM 558 OD1 ASN A 37 10.679 2.448 13.379 1.00 0.00 O ATOM 559 ND2 ASN A 37 9.315 3.317 14.946 1.00 0.00 N ATOM 0 H ASN A 37 8.269 3.577 9.666 1.00 0.00 H new ATOM 0 HA ASN A 37 8.650 2.430 11.531 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.895 4.693 12.138 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.555 4.923 13.244 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.693 2.727 15.687 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.571 3.983 15.154 1.00 0.00 H new ATOM 566 N LEU A 38 5.865 2.855 11.633 1.00 0.00 N ATOM 567 CA LEU A 38 4.518 2.666 12.142 1.00 0.00 C ATOM 568 C LEU A 38 4.323 1.198 12.524 1.00 0.00 C ATOM 569 O LEU A 38 5.035 0.324 12.031 1.00 0.00 O ATOM 570 CB LEU A 38 3.488 3.181 11.134 1.00 0.00 C ATOM 571 CG LEU A 38 2.671 4.399 11.572 1.00 0.00 C ATOM 572 CD1 LEU A 38 2.082 5.127 10.364 1.00 0.00 C ATOM 573 CD2 LEU A 38 1.594 4.001 12.583 1.00 0.00 C ATOM 0 H LEU A 38 5.975 2.664 10.637 1.00 0.00 H new ATOM 0 HA LEU A 38 4.367 3.254 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.008 3.431 10.209 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.798 2.370 10.903 1.00 0.00 H new ATOM 0 HG LEU A 38 3.341 5.098 12.073 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.506 5.988 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.889 5.464 9.713 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.430 4.449 9.813 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.028 4.884 12.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.921 3.273 12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.065 3.561 13.462 1.00 0.00 H new ATOM 585 N ASP A 39 3.356 0.970 13.400 1.00 0.00 N ATOM 586 CA ASP A 39 3.057 -0.377 13.854 1.00 0.00 C ATOM 587 C ASP A 39 1.984 -0.990 12.952 1.00 0.00 C ATOM 588 O ASP A 39 0.807 -1.012 13.309 1.00 0.00 O ATOM 589 CB ASP A 39 2.522 -0.370 15.287 1.00 0.00 C ATOM 590 CG ASP A 39 3.094 -1.460 16.197 1.00 0.00 C ATOM 591 OD1 ASP A 39 4.004 -1.209 17.000 1.00 0.00 O ATOM 592 OD2 ASP A 39 2.557 -2.625 16.054 1.00 0.00 O ATOM 0 H ASP A 39 2.768 1.697 13.808 1.00 0.00 H new ATOM 0 HA ASP A 39 3.979 -0.957 13.816 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.733 0.602 15.733 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.438 -0.477 15.254 1.00 0.00 H new ATOM 598 N ILE A 40 2.429 -1.472 11.801 1.00 0.00 N ATOM 599 CA ILE A 40 1.521 -2.084 10.845 1.00 0.00 C ATOM 600 C ILE A 40 2.092 -3.430 10.396 1.00 0.00 C ATOM 601 O ILE A 40 3.246 -3.746 10.682 1.00 0.00 O ATOM 602 CB ILE A 40 1.234 -1.122 9.690 1.00 0.00 C ATOM 603 CG1 ILE A 40 0.936 0.286 10.209 1.00 0.00 C ATOM 604 CG2 ILE A 40 0.108 -1.655 8.801 1.00 0.00 C ATOM 605 CD1 ILE A 40 0.917 1.300 9.064 1.00 0.00 C ATOM 0 H ILE A 40 3.406 -1.451 11.509 1.00 0.00 H new ATOM 0 HA ILE A 40 0.556 -2.286 11.310 1.00 0.00 H new ATOM 0 HB ILE A 40 2.129 -1.054 9.072 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.026 0.293 10.721 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.689 0.574 10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.077 -0.953 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.397 -2.621 8.388 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.800 -1.771 9.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.703 2.293 9.460 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.888 1.309 8.569 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.146 1.023 8.345 1.00 0.00 H new ATOM 657 N GLY A 44 6.187 -5.533 5.312 1.00 0.00 N ATOM 658 CA GLY A 44 6.713 -6.517 4.380 1.00 0.00 C ATOM 659 C GLY A 44 7.941 -7.219 4.960 1.00 0.00 C ATOM 660 O GLY A 44 9.025 -6.639 5.015 1.00 0.00 O ATOM 0 HA2 GLY A 44 5.943 -7.254 4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.978 -6.029 3.442 1.00 0.00 H new ATOM 664 N ALA A 45 7.732 -8.459 5.379 1.00 0.00 N ATOM 665 CA ALA A 45 8.809 -9.247 5.953 1.00 0.00 C ATOM 666 C ALA A 45 9.833 -9.572 4.864 1.00 0.00 C ATOM 667 O ALA A 45 11.056 -9.287 4.924 1.00 0.00 O ATOM 668 CB ALA A 45 8.229 -10.505 6.604 1.00 0.00 C ATOM 0 H ALA A 45 6.832 -8.937 5.332 1.00 0.00 H new ATOM 0 HA ALA A 45 9.324 -8.685 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.036 -11.097 7.035 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.530 -10.219 7.390 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.707 -11.096 5.852 1.00 0.00 H new ATOM 674 N CYS A 46 9.345 -10.201 3.805 1.00 0.00 N ATOM 675 CA CYS A 46 10.141 -10.603 2.658 1.00 0.00 C ATOM 676 C CYS A 46 10.605 -9.437 1.807 1.00 0.00 C ATOM 677 O CYS A 46 11.239 -9.694 0.785 1.00 0.00 O ATOM 678 CB CYS A 46 9.436 -11.649 1.806 1.00 0.00 C ATOM 679 SG CYS A 46 7.985 -11.140 0.860 1.00 0.00 S ATOM 0 H CYS A 46 8.360 -10.451 3.719 1.00 0.00 H new ATOM 0 HA CYS A 46 11.037 -11.059 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 46 10.165 -12.054 1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.136 -12.466 2.462 1.00 0.00 H new ATOM 0 HG CYS A 46 6.984 -10.951 1.668 1.00 0.00 H new ATOM 684 N GLU A 47 10.285 -8.214 2.205 1.00 0.00 N ATOM 685 CA GLU A 47 10.676 -7.049 1.430 1.00 0.00 C ATOM 686 C GLU A 47 9.663 -6.789 0.313 1.00 0.00 C ATOM 687 O GLU A 47 9.675 -5.727 -0.306 1.00 0.00 O ATOM 688 CB GLU A 47 12.086 -7.217 0.862 1.00 0.00 C ATOM 689 CG GLU A 47 12.904 -5.936 1.039 1.00 0.00 C ATOM 690 CD GLU A 47 14.282 -6.071 0.385 1.00 0.00 C ATOM 691 OE1 GLU A 47 15.278 -6.310 1.082 1.00 0.00 O ATOM 692 OE2 GLU A 47 14.295 -5.918 -0.896 1.00 0.00 O ATOM 0 H GLU A 47 9.760 -8.005 3.054 1.00 0.00 H new ATOM 0 HA GLU A 47 10.687 -6.184 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.587 -8.045 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.028 -7.472 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.369 -5.095 0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.021 -5.719 2.101 1.00 0.00 H new ATOM 700 N GLY A 48 8.808 -7.778 0.092 1.00 0.00 N ATOM 701 CA GLY A 48 7.790 -7.669 -0.939 1.00 0.00 C ATOM 702 C GLY A 48 8.157 -8.510 -2.163 1.00 0.00 C ATOM 703 O GLY A 48 7.838 -8.141 -3.293 1.00 0.00 O ATOM 0 H GLY A 48 8.800 -8.657 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.829 -7.997 -0.543 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.674 -6.625 -1.232 1.00 0.00 H new ATOM 707 N THR A 49 8.823 -9.623 -1.899 1.00 0.00 N ATOM 708 CA THR A 49 9.238 -10.520 -2.965 1.00 0.00 C ATOM 709 C THR A 49 8.282 -11.710 -3.062 1.00 0.00 C ATOM 710 O THR A 49 8.459 -12.585 -3.909 1.00 0.00 O ATOM 711 CB THR A 49 10.690 -10.926 -2.704 1.00 0.00 C ATOM 712 OG1 THR A 49 11.238 -11.114 -4.006 1.00 0.00 O ATOM 713 CG2 THR A 49 10.804 -12.303 -2.048 1.00 0.00 C ATOM 0 H THR A 49 9.086 -9.925 -0.961 1.00 0.00 H new ATOM 0 HA THR A 49 9.194 -10.027 -3.936 1.00 0.00 H new ATOM 0 HB THR A 49 11.166 -10.181 -2.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.179 -11.378 -3.930 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.855 -12.542 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.281 -12.295 -1.092 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.358 -13.054 -2.699 1.00 0.00 H new ATOM 721 N LEU A 50 7.291 -11.706 -2.184 1.00 0.00 N ATOM 722 CA LEU A 50 6.307 -12.774 -2.160 1.00 0.00 C ATOM 723 C LEU A 50 6.875 -13.969 -1.390 1.00 0.00 C ATOM 724 O LEU A 50 7.313 -14.949 -1.991 1.00 0.00 O ATOM 725 CB LEU A 50 5.856 -13.119 -3.581 1.00 0.00 C ATOM 726 CG LEU A 50 5.551 -11.929 -4.494 1.00 0.00 C ATOM 727 CD1 LEU A 50 5.159 -12.400 -5.896 1.00 0.00 C ATOM 728 CD2 LEU A 50 4.485 -11.022 -3.876 1.00 0.00 C ATOM 0 H LEU A 50 7.148 -10.979 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 50 5.409 -12.451 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 6.632 -13.723 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.963 -13.741 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 50 6.459 -11.335 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.947 -11.535 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.979 -12.972 -6.330 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.271 -13.029 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.287 -10.185 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.567 -11.590 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.840 -10.644 -2.917 1.00 0.00 H new ATOM 740 N ALA A 51 6.851 -13.847 -0.071 1.00 0.00 N ATOM 741 CA ALA A 51 7.359 -14.903 0.788 1.00 0.00 C ATOM 742 C ALA A 51 6.997 -14.590 2.242 1.00 0.00 C ATOM 743 O ALA A 51 7.591 -15.144 3.165 1.00 0.00 O ATOM 744 CB ALA A 51 8.867 -15.050 0.580 1.00 0.00 C ATOM 0 H ALA A 51 6.488 -13.033 0.424 1.00 0.00 H new ATOM 0 HA ALA A 51 6.901 -15.859 0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.248 -15.842 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.068 -15.302 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.362 -14.111 0.828 1.00 0.00 H new ATOM 750 N CYS A 52 6.027 -13.702 2.399 1.00 0.00 N ATOM 751 CA CYS A 52 5.580 -13.309 3.725 1.00 0.00 C ATOM 752 C CYS A 52 4.052 -13.369 3.754 1.00 0.00 C ATOM 753 O CYS A 52 3.452 -13.494 4.821 1.00 0.00 O ATOM 754 CB CYS A 52 6.105 -11.925 4.111 1.00 0.00 C ATOM 755 SG CYS A 52 5.544 -10.681 2.892 1.00 0.00 S ATOM 0 H CYS A 52 5.538 -13.243 1.630 1.00 0.00 H new ATOM 0 HA CYS A 52 5.983 -13.998 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.750 -11.657 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.194 -11.939 4.154 1.00 0.00 H new ATOM 0 HG CYS A 52 5.994 -9.509 3.230 1.00 0.00 H new ATOM 761 N SER A 53 3.465 -13.276 2.570 1.00 0.00 N ATOM 762 CA SER A 53 2.018 -13.318 2.447 1.00 0.00 C ATOM 763 C SER A 53 1.378 -12.385 3.477 1.00 0.00 C ATOM 764 O SER A 53 0.258 -12.625 3.925 1.00 0.00 O ATOM 765 CB SER A 53 1.490 -14.743 2.621 1.00 0.00 C ATOM 766 OG SER A 53 0.187 -14.903 2.066 1.00 0.00 O ATOM 0 H SER A 53 3.965 -13.172 1.687 1.00 0.00 H new ATOM 0 HA SER A 53 1.751 -12.981 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.175 -15.444 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.465 -14.993 3.682 1.00 0.00 H new ATOM 0 HG SER A 53 -0.409 -14.215 2.428 1.00 0.00 H new ATOM 772 N THR A 54 2.116 -11.340 3.822 1.00 0.00 N ATOM 773 CA THR A 54 1.635 -10.370 4.790 1.00 0.00 C ATOM 774 C THR A 54 2.063 -8.958 4.389 1.00 0.00 C ATOM 775 O THR A 54 3.084 -8.458 4.859 1.00 0.00 O ATOM 776 CB THR A 54 2.142 -10.790 6.172 1.00 0.00 C ATOM 777 OG1 THR A 54 3.448 -11.303 5.921 1.00 0.00 O ATOM 778 CG2 THR A 54 1.375 -11.987 6.738 1.00 0.00 C ATOM 0 H THR A 54 3.044 -11.144 3.448 1.00 0.00 H new ATOM 0 HA THR A 54 0.546 -10.348 4.820 1.00 0.00 H new ATOM 0 HB THR A 54 2.061 -9.948 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.406 -12.278 5.836 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.774 -12.244 7.719 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.319 -11.732 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.484 -12.839 6.067 1.00 0.00 H new ATOM 786 N CYS A 55 1.262 -8.354 3.524 1.00 0.00 N ATOM 787 CA CYS A 55 1.546 -7.008 3.054 1.00 0.00 C ATOM 788 C CYS A 55 0.422 -6.584 2.107 1.00 0.00 C ATOM 789 O CYS A 55 0.683 -6.084 1.014 1.00 0.00 O ATOM 790 CB CYS A 55 2.919 -6.921 2.385 1.00 0.00 C ATOM 791 SG CYS A 55 3.799 -5.422 2.958 1.00 0.00 S ATOM 0 H CYS A 55 0.416 -8.772 3.136 1.00 0.00 H new ATOM 0 HA CYS A 55 1.584 -6.324 3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.505 -7.809 2.621 1.00 0.00 H new ATOM 0 HB3 CYS A 55 2.804 -6.894 1.301 1.00 0.00 H new ATOM 0 HG CYS A 55 4.323 -5.646 4.126 1.00 0.00 H new ATOM 797 N HIS A 56 -0.804 -6.797 2.562 1.00 0.00 N ATOM 798 CA HIS A 56 -1.969 -6.442 1.769 1.00 0.00 C ATOM 799 C HIS A 56 -2.691 -5.259 2.418 1.00 0.00 C ATOM 800 O HIS A 56 -2.632 -5.084 3.634 1.00 0.00 O ATOM 801 CB HIS A 56 -2.879 -7.655 1.568 1.00 0.00 C ATOM 802 CG HIS A 56 -3.346 -8.293 2.856 1.00 0.00 C ATOM 803 ND1 HIS A 56 -3.180 -9.639 3.128 1.00 0.00 N ATOM 804 CD2 HIS A 56 -3.972 -7.754 3.941 1.00 0.00 C ATOM 805 CE1 HIS A 56 -3.688 -9.889 4.326 1.00 0.00 C ATOM 0 H HIS A 56 -1.016 -7.211 3.470 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.654 -6.128 0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -3.751 -7.350 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.348 -8.401 0.977 1.00 0.00 H new ATOM 0 HD1 HIS A 56 -2.741 -10.323 2.511 1.00 0.00 H new ATOM 814 N LEU A 57 -3.354 -4.478 1.577 1.00 0.00 N ATOM 815 CA LEU A 57 -4.086 -3.318 2.054 1.00 0.00 C ATOM 816 C LEU A 57 -5.334 -3.117 1.192 1.00 0.00 C ATOM 817 O LEU A 57 -5.473 -3.743 0.142 1.00 0.00 O ATOM 818 CB LEU A 57 -3.172 -2.092 2.106 1.00 0.00 C ATOM 819 CG LEU A 57 -1.895 -2.242 2.936 1.00 0.00 C ATOM 820 CD1 LEU A 57 -0.738 -2.753 2.073 1.00 0.00 C ATOM 821 CD2 LEU A 57 -1.546 -0.934 3.647 1.00 0.00 C ATOM 0 H LEU A 57 -3.399 -4.626 0.569 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.427 -3.478 3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.890 -1.830 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.744 -1.254 2.504 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.075 -2.989 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.158 -2.851 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.999 -3.725 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.548 -2.048 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.635 -1.068 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.391 -0.148 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.363 -0.652 4.311 1.00 0.00 H new ATOM 833 N ILE A 58 -6.210 -2.244 1.667 1.00 0.00 N ATOM 834 CA ILE A 58 -7.441 -1.954 0.953 1.00 0.00 C ATOM 835 C ILE A 58 -7.328 -0.581 0.287 1.00 0.00 C ATOM 836 O ILE A 58 -7.352 0.445 0.965 1.00 0.00 O ATOM 837 CB ILE A 58 -8.645 -2.088 1.886 1.00 0.00 C ATOM 838 CG1 ILE A 58 -8.424 -3.201 2.912 1.00 0.00 C ATOM 839 CG2 ILE A 58 -9.936 -2.292 1.090 1.00 0.00 C ATOM 840 CD1 ILE A 58 -8.575 -4.580 2.266 1.00 0.00 C ATOM 0 H ILE A 58 -6.091 -1.728 2.539 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.601 -2.682 0.158 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.751 -1.156 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.429 -3.107 3.348 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -9.140 -3.097 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.777 -2.384 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.097 -1.438 0.433 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.855 -3.200 0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.413 -5.353 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.579 -4.680 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -7.841 -4.690 1.468 1.00 0.00 H new ATOM 852 N PHE A 59 -7.209 -0.606 -1.032 1.00 0.00 N ATOM 853 CA PHE A 59 -7.091 0.624 -1.796 1.00 0.00 C ATOM 854 C PHE A 59 -8.449 1.050 -2.360 1.00 0.00 C ATOM 855 O PHE A 59 -9.124 0.264 -3.023 1.00 0.00 O ATOM 856 CB PHE A 59 -6.137 0.340 -2.958 1.00 0.00 C ATOM 857 CG PHE A 59 -4.754 -0.147 -2.522 1.00 0.00 C ATOM 858 CD1 PHE A 59 -4.569 -1.451 -2.181 1.00 0.00 C ATOM 859 CD2 PHE A 59 -3.710 0.722 -2.475 1.00 0.00 C ATOM 860 CE1 PHE A 59 -3.286 -1.904 -1.776 1.00 0.00 C ATOM 861 CE2 PHE A 59 -2.426 0.269 -2.070 1.00 0.00 C ATOM 862 CZ PHE A 59 -2.241 -1.033 -1.729 1.00 0.00 C ATOM 0 H PHE A 59 -7.192 -1.459 -1.591 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.724 1.426 -1.156 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.587 -0.410 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.021 1.248 -3.550 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.398 -2.142 -2.218 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.857 1.757 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.139 -2.939 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.597 0.960 -2.033 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.265 -1.377 -1.421 1.00 0.00 H new ATOM 872 N GLU A 60 -8.808 2.293 -2.075 1.00 0.00 N ATOM 873 CA GLU A 60 -10.072 2.833 -2.546 1.00 0.00 C ATOM 874 C GLU A 60 -10.395 2.293 -3.940 1.00 0.00 C ATOM 875 O GLU A 60 -9.492 2.059 -4.742 1.00 0.00 O ATOM 876 CB GLU A 60 -10.051 4.363 -2.541 1.00 0.00 C ATOM 877 CG GLU A 60 -11.467 4.931 -2.426 1.00 0.00 C ATOM 878 CD GLU A 60 -11.484 6.189 -1.555 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.430 6.800 -1.329 1.00 0.00 O ATOM 880 OE2 GLU A 60 -12.646 6.527 -1.109 1.00 0.00 O ATOM 0 H GLU A 60 -8.246 2.942 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.858 2.511 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.444 4.719 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.583 4.727 -3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.850 5.167 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.131 4.179 -1.999 1.00 0.00 H new ATOM 888 N GLN A 61 -11.684 2.111 -4.186 1.00 0.00 N ATOM 889 CA GLN A 61 -12.136 1.603 -5.470 1.00 0.00 C ATOM 890 C GLN A 61 -11.657 2.515 -6.601 1.00 0.00 C ATOM 891 O GLN A 61 -11.611 2.102 -7.759 1.00 0.00 O ATOM 892 CB GLN A 61 -13.658 1.451 -5.495 1.00 0.00 C ATOM 893 CG GLN A 61 -14.346 2.814 -5.384 1.00 0.00 C ATOM 894 CD GLN A 61 -15.808 2.727 -5.825 1.00 0.00 C ATOM 895 OE1 GLN A 61 -16.123 2.490 -6.981 1.00 0.00 O ATOM 896 NE2 GLN A 61 -16.682 2.932 -4.844 1.00 0.00 N ATOM 0 H GLN A 61 -12.430 2.306 -3.518 1.00 0.00 H new ATOM 0 HA GLN A 61 -11.703 0.614 -5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -13.963 0.960 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -13.977 0.810 -4.673 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.293 3.169 -4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -13.819 3.543 -6.000 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -16.351 3.126 -3.899 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -17.683 2.896 -5.037 1.00 0.00 H new ATOM 905 N HIS A 62 -11.312 3.738 -6.225 1.00 0.00 N ATOM 906 CA HIS A 62 -10.838 4.712 -7.193 1.00 0.00 C ATOM 907 C HIS A 62 -9.312 4.651 -7.278 1.00 0.00 C ATOM 908 O HIS A 62 -8.719 5.158 -8.229 1.00 0.00 O ATOM 909 CB HIS A 62 -11.357 6.111 -6.854 1.00 0.00 C ATOM 910 CG HIS A 62 -12.157 6.755 -7.962 1.00 0.00 C ATOM 911 ND1 HIS A 62 -13.234 7.590 -7.721 1.00 0.00 N ATOM 912 CD2 HIS A 62 -12.024 6.678 -9.317 1.00 0.00 C ATOM 913 CE1 HIS A 62 -13.721 7.990 -8.886 1.00 0.00 C ATOM 0 H HIS A 62 -11.351 4.076 -5.264 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.232 4.470 -8.180 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.977 6.050 -5.960 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.510 6.753 -6.611 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -13.592 7.853 -6.803 1.00 0.00 H new ATOM 922 N ILE A 63 -8.720 4.024 -6.272 1.00 0.00 N ATOM 923 CA ILE A 63 -7.274 3.890 -6.221 1.00 0.00 C ATOM 924 C ILE A 63 -6.878 2.500 -6.725 1.00 0.00 C ATOM 925 O ILE A 63 -6.024 2.375 -7.602 1.00 0.00 O ATOM 926 CB ILE A 63 -6.755 4.205 -4.817 1.00 0.00 C ATOM 927 CG1 ILE A 63 -7.337 5.523 -4.301 1.00 0.00 C ATOM 928 CG2 ILE A 63 -5.226 4.202 -4.783 1.00 0.00 C ATOM 929 CD1 ILE A 63 -7.365 5.548 -2.771 1.00 0.00 C ATOM 0 H ILE A 63 -9.215 3.603 -5.486 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.801 4.617 -6.881 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.093 3.417 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.741 6.357 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.347 5.655 -4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.884 4.429 -3.773 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -4.857 3.220 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.845 4.955 -5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.783 6.495 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.981 4.727 -2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.351 5.440 -2.387 1.00 0.00 H new ATOM 941 N PHE A 64 -7.517 1.493 -6.149 1.00 0.00 N ATOM 942 CA PHE A 64 -7.241 0.118 -6.530 1.00 0.00 C ATOM 943 C PHE A 64 -7.292 -0.052 -8.049 1.00 0.00 C ATOM 944 O PHE A 64 -6.466 -0.759 -8.627 1.00 0.00 O ATOM 945 CB PHE A 64 -8.331 -0.749 -5.896 1.00 0.00 C ATOM 946 CG PHE A 64 -8.525 -2.104 -6.579 1.00 0.00 C ATOM 947 CD1 PHE A 64 -9.315 -2.203 -7.682 1.00 0.00 C ATOM 948 CD2 PHE A 64 -7.909 -3.210 -6.083 1.00 0.00 C ATOM 949 CE1 PHE A 64 -9.495 -3.461 -8.317 1.00 0.00 C ATOM 950 CE2 PHE A 64 -8.089 -4.468 -6.718 1.00 0.00 C ATOM 951 CZ PHE A 64 -8.878 -4.566 -7.821 1.00 0.00 C ATOM 0 H PHE A 64 -8.224 1.601 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.245 -0.168 -6.193 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.085 -0.914 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -9.274 -0.203 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.806 -1.325 -8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.283 -3.132 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.122 -3.539 -9.193 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.599 -5.346 -6.325 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.015 -5.523 -8.303 1.00 0.00 H new ATOM 961 N GLU A 65 -8.268 0.608 -8.655 1.00 0.00 N ATOM 962 CA GLU A 65 -8.436 0.540 -10.096 1.00 0.00 C ATOM 963 C GLU A 65 -7.356 1.366 -10.797 1.00 0.00 C ATOM 964 O GLU A 65 -7.113 1.193 -11.990 1.00 0.00 O ATOM 965 CB GLU A 65 -9.835 1.004 -10.507 1.00 0.00 C ATOM 966 CG GLU A 65 -9.903 2.530 -10.594 1.00 0.00 C ATOM 967 CD GLU A 65 -9.874 2.999 -12.050 1.00 0.00 C ATOM 968 OE1 GLU A 65 -9.552 2.209 -12.950 1.00 0.00 O ATOM 969 OE2 GLU A 65 -10.202 4.234 -12.232 1.00 0.00 O ATOM 0 H GLU A 65 -8.951 1.193 -8.173 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.328 -0.499 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.098 0.569 -11.471 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -10.568 0.644 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -10.814 2.885 -10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.065 2.966 -10.051 1.00 0.00 H new ATOM 977 N LYS A 66 -6.736 2.247 -10.025 1.00 0.00 N ATOM 978 CA LYS A 66 -5.687 3.101 -10.557 1.00 0.00 C ATOM 979 C LYS A 66 -4.337 2.400 -10.399 1.00 0.00 C ATOM 980 O LYS A 66 -3.348 2.806 -11.008 1.00 0.00 O ATOM 981 CB LYS A 66 -5.743 4.485 -9.907 1.00 0.00 C ATOM 982 CG LYS A 66 -6.864 5.331 -10.513 1.00 0.00 C ATOM 983 CD LYS A 66 -6.766 6.785 -10.049 1.00 0.00 C ATOM 984 CE LYS A 66 -7.007 7.750 -11.212 1.00 0.00 C ATOM 0 H LYS A 66 -6.940 2.388 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.835 3.270 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.901 4.380 -8.834 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.787 4.992 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.809 5.288 -11.601 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.831 4.918 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.497 6.969 -9.262 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.781 6.967 -9.619 1.00 0.00 H new ATOM 998 N LEU A 67 -4.338 1.361 -9.578 1.00 0.00 N ATOM 999 CA LEU A 67 -3.125 0.601 -9.332 1.00 0.00 C ATOM 1000 C LEU A 67 -2.860 -0.328 -10.519 1.00 0.00 C ATOM 1001 O LEU A 67 -3.753 -0.577 -11.327 1.00 0.00 O ATOM 1002 CB LEU A 67 -3.211 -0.128 -7.989 1.00 0.00 C ATOM 1003 CG LEU A 67 -3.301 0.762 -6.748 1.00 0.00 C ATOM 1004 CD1 LEU A 67 -3.693 -0.054 -5.515 1.00 0.00 C ATOM 1005 CD2 LEU A 67 -1.999 1.536 -6.533 1.00 0.00 C ATOM 0 H LEU A 67 -5.160 1.027 -9.074 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.268 1.269 -9.251 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.084 -0.781 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.335 -0.769 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.089 1.497 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.750 0.603 -4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.664 -0.521 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.945 -0.827 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.090 2.161 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.176 0.834 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.802 2.166 -7.401 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.629 -0.814 -10.586 1.00 0.00 N ATOM 1018 CA GLU A 68 -1.237 -1.711 -11.660 1.00 0.00 C ATOM 1019 C GLU A 68 -1.893 -3.080 -11.477 1.00 0.00 C ATOM 1020 O GLU A 68 -2.318 -3.426 -10.376 1.00 0.00 O ATOM 1021 CB GLU A 68 0.286 -1.838 -11.740 1.00 0.00 C ATOM 1022 CG GLU A 68 0.950 -0.460 -11.776 1.00 0.00 C ATOM 1023 CD GLU A 68 0.535 0.315 -13.029 1.00 0.00 C ATOM 1024 OE1 GLU A 68 1.007 0.005 -14.134 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -0.308 1.269 -12.826 1.00 0.00 O ATOM 0 H GLU A 68 -0.891 -0.604 -9.915 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.584 -1.289 -12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.653 -2.400 -10.881 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.561 -2.402 -12.631 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.673 0.105 -10.886 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.034 -0.574 -11.756 1.00 0.00 H new ATOM 1033 N ALA A 69 -1.954 -3.823 -12.572 1.00 0.00 N ATOM 1034 CA ALA A 69 -2.551 -5.148 -12.545 1.00 0.00 C ATOM 1035 C ALA A 69 -1.631 -6.102 -11.780 1.00 0.00 C ATOM 1036 O ALA A 69 -0.500 -5.749 -11.453 1.00 0.00 O ATOM 1037 CB ALA A 69 -2.817 -5.617 -13.977 1.00 0.00 C ATOM 0 H ALA A 69 -1.600 -3.533 -13.484 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.509 -5.127 -12.025 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.265 -6.611 -13.957 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.499 -4.922 -14.467 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.877 -5.653 -14.528 1.00 0.00 H new ATOM 1043 N ILE A 70 -2.152 -7.292 -11.517 1.00 0.00 N ATOM 1044 CA ILE A 70 -1.392 -8.299 -10.797 1.00 0.00 C ATOM 1045 C ILE A 70 -1.355 -9.589 -11.619 1.00 0.00 C ATOM 1046 O ILE A 70 -1.983 -9.675 -12.673 1.00 0.00 O ATOM 1047 CB ILE A 70 -1.952 -8.486 -9.386 1.00 0.00 C ATOM 1048 CG1 ILE A 70 -0.824 -8.612 -8.360 1.00 0.00 C ATOM 1049 CG2 ILE A 70 -2.914 -9.674 -9.330 1.00 0.00 C ATOM 1050 CD1 ILE A 70 -0.796 -7.403 -7.423 1.00 0.00 C ATOM 0 H ILE A 70 -3.091 -7.581 -11.790 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.360 -7.974 -10.665 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.525 -7.596 -9.126 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.957 -9.524 -7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.133 -8.699 -8.875 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.297 -9.784 -8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.744 -9.502 -10.015 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.387 -10.583 -9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.015 -7.519 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.638 -6.495 -8.005 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.745 -7.333 -6.891 1.00 0.00 H new ATOM 1062 N THR A 71 -0.611 -10.558 -11.107 1.00 0.00 N ATOM 1063 CA THR A 71 -0.483 -11.839 -11.780 1.00 0.00 C ATOM 1064 C THR A 71 -0.965 -12.971 -10.871 1.00 0.00 C ATOM 1065 O THR A 71 -1.383 -12.727 -9.739 1.00 0.00 O ATOM 1066 CB THR A 71 0.971 -11.996 -12.227 1.00 0.00 C ATOM 1067 OG1 THR A 71 1.726 -11.468 -11.141 1.00 0.00 O ATOM 1068 CG2 THR A 71 1.324 -11.084 -13.404 1.00 0.00 C ATOM 0 H THR A 71 -0.090 -10.482 -10.233 1.00 0.00 H new ATOM 0 HA THR A 71 -1.117 -11.884 -12.666 1.00 0.00 H new ATOM 0 HB THR A 71 1.155 -13.034 -12.504 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.682 -11.532 -11.346 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.367 -11.235 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.684 -11.323 -14.254 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.172 -10.044 -13.116 1.00 0.00 H new ATOM 1076 N ASP A 72 -0.892 -14.183 -11.398 1.00 0.00 N ATOM 1077 CA ASP A 72 -1.316 -15.353 -10.648 1.00 0.00 C ATOM 1078 C ASP A 72 -0.486 -15.459 -9.367 1.00 0.00 C ATOM 1079 O ASP A 72 -1.037 -15.499 -8.268 1.00 0.00 O ATOM 1080 CB ASP A 72 -1.102 -16.634 -11.457 1.00 0.00 C ATOM 1081 CG ASP A 72 0.264 -16.749 -12.137 1.00 0.00 C ATOM 1082 OD1 ASP A 72 0.694 -15.842 -12.865 1.00 0.00 O ATOM 1083 OD2 ASP A 72 0.905 -17.841 -11.891 1.00 0.00 O ATOM 0 H ASP A 72 -0.545 -14.381 -12.337 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.377 -15.243 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.235 -17.490 -10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.878 -16.698 -12.220 1.00 0.00 H new ATOM 1089 N GLU A 73 0.825 -15.502 -9.550 1.00 0.00 N ATOM 1090 CA GLU A 73 1.736 -15.603 -8.423 1.00 0.00 C ATOM 1091 C GLU A 73 1.323 -14.630 -7.317 1.00 0.00 C ATOM 1092 O GLU A 73 1.101 -15.035 -6.178 1.00 0.00 O ATOM 1093 CB GLU A 73 3.181 -15.353 -8.861 1.00 0.00 C ATOM 1094 CG GLU A 73 4.055 -14.961 -7.668 1.00 0.00 C ATOM 1095 CD GLU A 73 5.536 -14.956 -8.052 1.00 0.00 C ATOM 1096 OE1 GLU A 73 6.054 -13.928 -8.512 1.00 0.00 O ATOM 1097 OE2 GLU A 73 6.154 -16.072 -7.857 1.00 0.00 O ATOM 0 H GLU A 73 1.279 -15.469 -10.463 1.00 0.00 H new ATOM 0 HA GLU A 73 1.681 -16.617 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.583 -16.250 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.206 -14.562 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.765 -13.973 -7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.891 -15.659 -6.847 1.00 0.00 H new ATOM 1105 N GLU A 74 1.230 -13.362 -7.694 1.00 0.00 N ATOM 1106 CA GLU A 74 0.847 -12.327 -6.748 1.00 0.00 C ATOM 1107 C GLU A 74 -0.580 -12.566 -6.249 1.00 0.00 C ATOM 1108 O GLU A 74 -0.879 -12.335 -5.080 1.00 0.00 O ATOM 1109 CB GLU A 74 0.985 -10.937 -7.372 1.00 0.00 C ATOM 1110 CG GLU A 74 2.447 -10.622 -7.692 1.00 0.00 C ATOM 1111 CD GLU A 74 2.686 -9.112 -7.733 1.00 0.00 C ATOM 1112 OE1 GLU A 74 2.324 -8.401 -6.784 1.00 0.00 O ATOM 1113 OE2 GLU A 74 3.272 -8.682 -8.799 1.00 0.00 O ATOM 0 H GLU A 74 1.413 -13.029 -8.640 1.00 0.00 H new ATOM 0 HA GLU A 74 1.522 -12.374 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.390 -10.883 -8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.589 -10.186 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.093 -11.076 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.716 -11.063 -8.652 1.00 0.00 H new ATOM 1121 N ASN A 75 -1.424 -13.025 -7.163 1.00 0.00 N ATOM 1122 CA ASN A 75 -2.811 -13.297 -6.831 1.00 0.00 C ATOM 1123 C ASN A 75 -2.869 -14.325 -5.700 1.00 0.00 C ATOM 1124 O ASN A 75 -3.802 -14.322 -4.899 1.00 0.00 O ATOM 1125 CB ASN A 75 -3.563 -13.873 -8.033 1.00 0.00 C ATOM 1126 CG ASN A 75 -5.074 -13.851 -7.797 1.00 0.00 C ATOM 1127 OD1 ASN A 75 -5.572 -14.243 -6.754 1.00 0.00 O ATOM 1128 ND2 ASN A 75 -5.774 -13.372 -8.821 1.00 0.00 N ATOM 0 H ASN A 75 -1.173 -13.215 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.276 -12.358 -6.531 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.323 -13.297 -8.927 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -3.235 -14.896 -8.215 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.791 -13.316 -8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.294 -13.061 -9.666 1.00 0.00 H new ATOM 1135 N ASP A 76 -1.858 -15.181 -5.670 1.00 0.00 N ATOM 1136 CA ASP A 76 -1.780 -16.214 -4.651 1.00 0.00 C ATOM 1137 C ASP A 76 -1.308 -15.591 -3.336 1.00 0.00 C ATOM 1138 O ASP A 76 -1.950 -15.760 -2.299 1.00 0.00 O ATOM 1139 CB ASP A 76 -0.781 -17.303 -5.044 1.00 0.00 C ATOM 1140 CG ASP A 76 -0.520 -18.360 -3.969 1.00 0.00 C ATOM 1141 OD1 ASP A 76 0.172 -18.100 -2.973 1.00 0.00 O ATOM 1142 OD2 ASP A 76 -1.068 -19.507 -4.188 1.00 0.00 O ATOM 0 H ASP A 76 -1.085 -15.180 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.770 -16.657 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.145 -17.802 -5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.166 -16.830 -5.304 1.00 0.00 H new ATOM 1148 N MET A 77 -0.191 -14.885 -3.419 1.00 0.00 N ATOM 1149 CA MET A 77 0.375 -14.237 -2.248 1.00 0.00 C ATOM 1150 C MET A 77 -0.546 -13.127 -1.738 1.00 0.00 C ATOM 1151 O MET A 77 -0.316 -12.567 -0.667 1.00 0.00 O ATOM 1152 CB MET A 77 1.740 -13.644 -2.602 1.00 0.00 C ATOM 1153 CG MET A 77 2.659 -13.618 -1.380 1.00 0.00 C ATOM 1154 SD MET A 77 3.793 -14.996 -1.439 1.00 0.00 S ATOM 1155 CE MET A 77 3.410 -15.779 0.119 1.00 0.00 C ATOM 0 H MET A 77 0.338 -14.747 -4.280 1.00 0.00 H new ATOM 0 HA MET A 77 0.486 -14.983 -1.461 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.201 -14.232 -3.396 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.612 -12.632 -2.987 1.00 0.00 H new ATOM 0 HG2 MET A 77 3.214 -12.680 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.065 -13.664 -0.467 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.808 -16.794 0.124 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.859 -15.209 0.933 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.329 -15.813 0.253 1.00 0.00 H new ATOM 1165 N LEU A 78 -1.571 -12.842 -2.528 1.00 0.00 N ATOM 1166 CA LEU A 78 -2.529 -11.809 -2.169 1.00 0.00 C ATOM 1167 C LEU A 78 -3.848 -12.465 -1.754 1.00 0.00 C ATOM 1168 O LEU A 78 -4.532 -11.976 -0.857 1.00 0.00 O ATOM 1169 CB LEU A 78 -2.676 -10.797 -3.307 1.00 0.00 C ATOM 1170 CG LEU A 78 -3.897 -9.877 -3.232 1.00 0.00 C ATOM 1171 CD1 LEU A 78 -5.178 -10.637 -3.585 1.00 0.00 C ATOM 1172 CD2 LEU A 78 -3.990 -9.201 -1.864 1.00 0.00 C ATOM 0 H LEU A 78 -1.759 -13.308 -3.415 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.172 -11.239 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.780 -10.177 -3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.714 -11.343 -4.250 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.777 -9.087 -3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.031 -9.961 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.099 -11.032 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.317 -11.460 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.866 -8.553 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.077 -9.961 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.093 -8.606 -1.690 1.00 0.00 H new ATOM 1184 N ASP A 79 -4.165 -13.561 -2.427 1.00 0.00 N ATOM 1185 CA ASP A 79 -5.389 -14.289 -2.139 1.00 0.00 C ATOM 1186 C ASP A 79 -5.444 -14.615 -0.646 1.00 0.00 C ATOM 1187 O ASP A 79 -6.482 -14.448 -0.008 1.00 0.00 O ATOM 1188 CB ASP A 79 -5.442 -15.607 -2.915 1.00 0.00 C ATOM 1189 CG ASP A 79 -5.809 -16.834 -2.078 1.00 0.00 C ATOM 1190 OD1 ASP A 79 -6.691 -16.774 -1.210 1.00 0.00 O ATOM 1191 OD2 ASP A 79 -5.137 -17.900 -2.351 1.00 0.00 O ATOM 0 H ASP A 79 -3.595 -13.963 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.231 -13.663 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.167 -15.507 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.470 -15.779 -3.378 1.00 0.00 H new ATOM 1197 N LEU A 80 -4.313 -15.075 -0.131 1.00 0.00 N ATOM 1198 CA LEU A 80 -4.219 -15.427 1.275 1.00 0.00 C ATOM 1199 C LEU A 80 -4.725 -14.258 2.124 1.00 0.00 C ATOM 1200 O LEU A 80 -5.106 -14.445 3.279 1.00 0.00 O ATOM 1201 CB LEU A 80 -2.796 -15.869 1.624 1.00 0.00 C ATOM 1202 CG LEU A 80 -2.476 -17.346 1.386 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.968 -17.596 1.443 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -3.242 -18.238 2.366 1.00 0.00 C ATOM 0 H LEU A 80 -3.454 -15.212 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.857 -16.283 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.097 -15.268 1.043 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.614 -15.643 2.675 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.809 -17.610 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.768 -18.653 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.472 -17.003 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.589 -17.310 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.997 -19.283 2.175 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.962 -17.980 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.313 -18.087 2.234 1.00 0.00 H new ATOM 1216 N ALA A 81 -4.711 -13.080 1.519 1.00 0.00 N ATOM 1217 CA ALA A 81 -5.163 -11.881 2.204 1.00 0.00 C ATOM 1218 C ALA A 81 -6.419 -12.206 3.015 1.00 0.00 C ATOM 1219 O ALA A 81 -7.129 -13.163 2.710 1.00 0.00 O ATOM 1220 CB ALA A 81 -5.401 -10.768 1.182 1.00 0.00 C ATOM 0 H ALA A 81 -4.394 -12.930 0.561 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.403 -11.527 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -5.740 -9.869 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -4.472 -10.555 0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.161 -11.086 0.468 1.00 0.00 H new ATOM 1226 N TYR A 82 -6.654 -11.391 4.033 1.00 0.00 N ATOM 1227 CA TYR A 82 -7.812 -11.579 4.890 1.00 0.00 C ATOM 1228 C TYR A 82 -8.984 -10.713 4.427 1.00 0.00 C ATOM 1229 O TYR A 82 -8.847 -9.498 4.289 1.00 0.00 O ATOM 1230 CB TYR A 82 -7.381 -11.128 6.288 1.00 0.00 C ATOM 1231 CG TYR A 82 -7.309 -12.261 7.313 1.00 0.00 C ATOM 1232 CD1 TYR A 82 -6.341 -13.239 7.193 1.00 0.00 C ATOM 1233 CD2 TYR A 82 -8.209 -12.306 8.357 1.00 0.00 C ATOM 1234 CE1 TYR A 82 -6.273 -14.305 8.158 1.00 0.00 C ATOM 1235 CE2 TYR A 82 -8.141 -13.372 9.322 1.00 0.00 C ATOM 1236 CZ TYR A 82 -7.176 -14.319 9.176 1.00 0.00 C ATOM 1237 OH TYR A 82 -7.112 -15.326 10.088 1.00 0.00 O ATOM 0 H TYR A 82 -6.062 -10.599 4.283 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.140 -12.618 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.403 -10.651 6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -8.080 -10.372 6.646 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -5.636 -13.204 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.965 -11.541 8.451 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.522 -15.077 8.076 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -8.841 -13.419 10.143 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.817 -15.206 10.758 1.00 0.00 H new ATOM 1247 N GLY A 83 -10.112 -11.371 4.199 1.00 0.00 N ATOM 1248 CA GLY A 83 -11.307 -10.676 3.754 1.00 0.00 C ATOM 1249 C GLY A 83 -11.273 -10.438 2.244 1.00 0.00 C ATOM 1250 O GLY A 83 -12.253 -10.694 1.548 1.00 0.00 O ATOM 0 H GLY A 83 -10.223 -12.378 4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.190 -11.260 4.014 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.392 -9.722 4.274 1.00 0.00 H new ATOM 1254 N LEU A 84 -10.132 -9.948 1.780 1.00 0.00 N ATOM 1255 CA LEU A 84 -9.957 -9.671 0.364 1.00 0.00 C ATOM 1256 C LEU A 84 -11.191 -8.938 -0.165 1.00 0.00 C ATOM 1257 O LEU A 84 -12.047 -9.544 -0.809 1.00 0.00 O ATOM 1258 CB LEU A 84 -9.631 -10.958 -0.397 1.00 0.00 C ATOM 1259 CG LEU A 84 -8.401 -10.908 -1.304 1.00 0.00 C ATOM 1260 CD1 LEU A 84 -8.073 -12.294 -1.861 1.00 0.00 C ATOM 1261 CD2 LEU A 84 -8.583 -9.871 -2.416 1.00 0.00 C ATOM 0 H LEU A 84 -9.320 -9.736 2.360 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.104 -9.011 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.491 -11.760 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.495 -11.226 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.547 -10.593 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.194 -12.230 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.872 -12.979 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.919 -12.663 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.695 -9.855 -3.047 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.452 -10.133 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.732 -8.886 -1.974 1.00 0.00 H new ATOM 1273 N THR A 85 -11.245 -7.647 0.128 1.00 0.00 N ATOM 1274 CA THR A 85 -12.360 -6.827 -0.311 1.00 0.00 C ATOM 1275 C THR A 85 -12.413 -6.770 -1.839 1.00 0.00 C ATOM 1276 O THR A 85 -11.658 -7.466 -2.517 1.00 0.00 O ATOM 1277 CB THR A 85 -12.221 -5.451 0.344 1.00 0.00 C ATOM 1278 OG1 THR A 85 -11.109 -4.861 -0.322 1.00 0.00 O ATOM 1279 CG2 THR A 85 -11.778 -5.541 1.805 1.00 0.00 C ATOM 0 H THR A 85 -10.534 -7.149 0.664 1.00 0.00 H new ATOM 0 HA THR A 85 -13.313 -7.257 -0.001 1.00 0.00 H new ATOM 0 HB THR A 85 -13.173 -4.923 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.661 -5.537 -0.872 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.695 -4.538 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 85 -12.513 -6.111 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 85 -10.810 -6.039 1.862 1.00 0.00 H new ATOM 1287 N ASP A 86 -13.311 -5.934 -2.338 1.00 0.00 N ATOM 1288 CA ASP A 86 -13.472 -5.777 -3.773 1.00 0.00 C ATOM 1289 C ASP A 86 -12.508 -4.700 -4.276 1.00 0.00 C ATOM 1290 O ASP A 86 -12.624 -4.238 -5.409 1.00 0.00 O ATOM 1291 CB ASP A 86 -14.895 -5.338 -4.124 1.00 0.00 C ATOM 1292 CG ASP A 86 -15.220 -5.329 -5.619 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -14.864 -4.389 -6.344 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -15.875 -6.358 -6.041 1.00 0.00 O ATOM 0 H ASP A 86 -13.935 -5.358 -1.773 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.266 -6.739 -4.242 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.598 -6.000 -3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.058 -4.336 -3.726 1.00 0.00 H new ATOM 1300 N ARG A 87 -11.578 -4.332 -3.406 1.00 0.00 N ATOM 1301 CA ARG A 87 -10.594 -3.318 -3.747 1.00 0.00 C ATOM 1302 C ARG A 87 -9.281 -3.584 -3.009 1.00 0.00 C ATOM 1303 O ARG A 87 -8.522 -2.656 -2.732 1.00 0.00 O ATOM 1304 CB ARG A 87 -11.098 -1.919 -3.390 1.00 0.00 C ATOM 1305 CG ARG A 87 -11.014 -1.675 -1.882 1.00 0.00 C ATOM 1306 CD ARG A 87 -12.229 -0.888 -1.385 1.00 0.00 C ATOM 1307 NE ARG A 87 -13.360 -1.808 -1.128 1.00 0.00 N ATOM 1308 CZ ARG A 87 -14.632 -1.406 -0.923 1.00 0.00 C ATOM 1309 NH1 ARG A 87 -14.947 -0.094 -0.943 1.00 0.00 N ATOM 1310 NH2 ARG A 87 -15.562 -2.316 -0.702 1.00 0.00 N ATOM 0 H ARG A 87 -11.485 -4.718 -2.466 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.426 -3.367 -4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.507 -1.170 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.129 -1.804 -3.724 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.955 -2.629 -1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.101 -1.127 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.974 -0.348 -0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.517 -0.143 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.166 -2.809 -1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.221 0.602 -1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.911 0.202 -0.787 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -15.314 -3.305 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -16.528 -2.030 -0.545 1.00 0.00 H new ATOM 1323 N SER A 88 -9.052 -4.854 -2.711 1.00 0.00 N ATOM 1324 CA SER A 88 -7.844 -5.253 -2.010 1.00 0.00 C ATOM 1325 C SER A 88 -6.835 -5.842 -3.000 1.00 0.00 C ATOM 1326 O SER A 88 -7.218 -6.357 -4.048 1.00 0.00 O ATOM 1327 CB SER A 88 -8.156 -6.264 -0.906 1.00 0.00 C ATOM 1328 OG SER A 88 -7.090 -7.190 -0.712 1.00 0.00 O ATOM 0 H SER A 88 -9.683 -5.621 -2.943 1.00 0.00 H new ATOM 0 HA SER A 88 -7.412 -4.368 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.350 -5.734 0.027 1.00 0.00 H new ATOM 0 HB3 SER A 88 -9.066 -6.807 -1.159 1.00 0.00 H new ATOM 0 HG SER A 88 -7.255 -7.713 0.100 1.00 0.00 H new ATOM 1334 N ARG A 89 -5.567 -5.746 -2.630 1.00 0.00 N ATOM 1335 CA ARG A 89 -4.501 -6.263 -3.471 1.00 0.00 C ATOM 1336 C ARG A 89 -3.142 -6.027 -2.810 1.00 0.00 C ATOM 1337 O ARG A 89 -2.987 -5.104 -2.011 1.00 0.00 O ATOM 1338 CB ARG A 89 -4.513 -5.596 -4.847 1.00 0.00 C ATOM 1339 CG ARG A 89 -4.450 -4.073 -4.719 1.00 0.00 C ATOM 1340 CD ARG A 89 -3.815 -3.444 -5.962 1.00 0.00 C ATOM 1341 NE ARG A 89 -4.867 -3.092 -6.943 1.00 0.00 N ATOM 1342 CZ ARG A 89 -5.310 -3.924 -7.910 1.00 0.00 C ATOM 1343 NH1 ARG A 89 -4.796 -5.165 -8.033 1.00 0.00 N ATOM 1344 NH2 ARG A 89 -6.253 -3.504 -8.733 1.00 0.00 N ATOM 0 H ARG A 89 -5.253 -5.318 -1.759 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.667 -7.333 -3.597 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.666 -5.950 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.416 -5.882 -5.386 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.455 -3.674 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -3.873 -3.802 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.253 -2.553 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.106 -4.140 -6.410 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.283 -2.163 -6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.067 -5.481 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.136 -5.787 -8.766 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.636 -2.564 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.599 -4.120 -9.469 1.00 0.00 H new ATOM 1357 N LEU A 90 -2.190 -6.877 -3.166 1.00 0.00 N ATOM 1358 CA LEU A 90 -0.849 -6.774 -2.618 1.00 0.00 C ATOM 1359 C LEU A 90 -0.394 -5.313 -2.670 1.00 0.00 C ATOM 1360 O LEU A 90 -0.754 -4.579 -3.588 1.00 0.00 O ATOM 1361 CB LEU A 90 0.099 -7.739 -3.332 1.00 0.00 C ATOM 1362 CG LEU A 90 1.546 -7.751 -2.833 1.00 0.00 C ATOM 1363 CD1 LEU A 90 1.638 -8.364 -1.435 1.00 0.00 C ATOM 1364 CD2 LEU A 90 2.463 -8.459 -3.831 1.00 0.00 C ATOM 0 H LEU A 90 -2.322 -7.641 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.841 -7.075 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.304 -8.747 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.104 -7.493 -4.394 1.00 0.00 H new ATOM 0 HG LEU A 90 1.890 -6.720 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.676 -8.361 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.034 -7.780 -0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.269 -9.389 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.485 -8.454 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.130 -9.489 -3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.428 -7.940 -4.789 1.00 0.00 H new ATOM 1376 N GLY A 91 0.393 -4.937 -1.671 1.00 0.00 N ATOM 1377 CA GLY A 91 0.901 -3.578 -1.592 1.00 0.00 C ATOM 1378 C GLY A 91 2.409 -3.571 -1.335 1.00 0.00 C ATOM 1379 O GLY A 91 2.890 -2.852 -0.460 1.00 0.00 O ATOM 0 H GLY A 91 0.690 -5.549 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.684 -3.050 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.390 -3.041 -0.793 1.00 0.00 H new ATOM 1383 N CYS A 92 3.113 -4.379 -2.113 1.00 0.00 N ATOM 1384 CA CYS A 92 4.557 -4.476 -1.980 1.00 0.00 C ATOM 1385 C CYS A 92 5.177 -4.341 -3.372 1.00 0.00 C ATOM 1386 O CYS A 92 4.470 -4.106 -4.351 1.00 0.00 O ATOM 1387 CB CYS A 92 4.977 -5.776 -1.292 1.00 0.00 C ATOM 1388 SG CYS A 92 4.969 -7.153 -2.498 1.00 0.00 S ATOM 0 H CYS A 92 2.711 -4.973 -2.838 1.00 0.00 H new ATOM 0 HA CYS A 92 4.920 -3.671 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 92 5.972 -5.664 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 92 4.297 -5.998 -0.469 1.00 0.00 H new ATOM 0 HG CYS A 92 5.120 -8.281 -1.870 1.00 0.00 H new ATOM 1394 N GLN A 93 6.492 -4.496 -3.417 1.00 0.00 N ATOM 1395 CA GLN A 93 7.216 -4.395 -4.672 1.00 0.00 C ATOM 1396 C GLN A 93 6.513 -3.411 -5.611 1.00 0.00 C ATOM 1397 O GLN A 93 6.360 -3.685 -6.801 1.00 0.00 O ATOM 1398 CB GLN A 93 7.368 -5.767 -5.330 1.00 0.00 C ATOM 1399 CG GLN A 93 6.001 -6.378 -5.647 1.00 0.00 C ATOM 1400 CD GLN A 93 6.097 -7.900 -5.775 1.00 0.00 C ATOM 1401 OE1 GLN A 93 7.135 -8.502 -5.557 1.00 0.00 O ATOM 1402 NE2 GLN A 93 4.959 -8.484 -6.139 1.00 0.00 N ATOM 0 H GLN A 93 7.075 -4.691 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 93 8.217 -4.017 -4.463 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.949 -5.672 -6.247 1.00 0.00 H new ATOM 0 HB3 GLN A 93 7.923 -6.432 -4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.292 -6.120 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.616 -5.955 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.126 -7.919 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.919 -9.497 -6.252 1.00 0.00 H new ATOM 1411 N ILE A 94 6.107 -2.286 -5.042 1.00 0.00 N ATOM 1412 CA ILE A 94 5.424 -1.261 -5.813 1.00 0.00 C ATOM 1413 C ILE A 94 5.945 0.116 -5.396 1.00 0.00 C ATOM 1414 O ILE A 94 6.418 0.291 -4.275 1.00 0.00 O ATOM 1415 CB ILE A 94 3.908 -1.411 -5.681 1.00 0.00 C ATOM 1416 CG1 ILE A 94 3.383 -2.518 -6.598 1.00 0.00 C ATOM 1417 CG2 ILE A 94 3.201 -0.077 -5.930 1.00 0.00 C ATOM 1418 CD1 ILE A 94 3.601 -2.158 -8.070 1.00 0.00 C ATOM 0 H ILE A 94 6.238 -2.061 -4.056 1.00 0.00 H new ATOM 0 HA ILE A 94 5.640 -1.376 -6.875 1.00 0.00 H new ATOM 0 HB ILE A 94 3.683 -1.709 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.890 -3.456 -6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.321 -2.677 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.124 -0.212 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.544 0.658 -5.202 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.431 0.274 -6.936 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.220 -2.961 -8.701 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.073 -1.233 -8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.666 -2.024 -8.258 1.00 0.00 H new ATOM 1430 N CYS A 95 5.840 1.059 -6.322 1.00 0.00 N ATOM 1431 CA CYS A 95 6.294 2.414 -6.065 1.00 0.00 C ATOM 1432 C CYS A 95 5.107 3.361 -6.247 1.00 0.00 C ATOM 1433 O CYS A 95 4.360 3.247 -7.219 1.00 0.00 O ATOM 1434 CB CYS A 95 7.472 2.796 -6.963 1.00 0.00 C ATOM 1435 SG CYS A 95 8.601 1.369 -7.156 1.00 0.00 S ATOM 0 H CYS A 95 5.447 0.910 -7.251 1.00 0.00 H new ATOM 0 HA CYS A 95 6.663 2.488 -5.042 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.107 3.116 -7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.010 3.640 -6.531 1.00 0.00 H new ATOM 0 HG CYS A 95 9.596 1.704 -7.922 1.00 0.00 H new ATOM 1441 N LEU A 96 4.969 4.276 -5.299 1.00 0.00 N ATOM 1442 CA LEU A 96 3.885 5.242 -5.343 1.00 0.00 C ATOM 1443 C LEU A 96 3.756 5.793 -6.764 1.00 0.00 C ATOM 1444 O LEU A 96 4.699 5.719 -7.550 1.00 0.00 O ATOM 1445 CB LEU A 96 4.088 6.324 -4.279 1.00 0.00 C ATOM 1446 CG LEU A 96 3.683 5.945 -2.853 1.00 0.00 C ATOM 1447 CD1 LEU A 96 3.560 7.190 -1.970 1.00 0.00 C ATOM 1448 CD2 LEU A 96 2.402 5.110 -2.849 1.00 0.00 C ATOM 0 H LEU A 96 5.590 4.369 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 96 2.937 4.762 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.140 6.608 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.521 7.207 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 96 4.471 5.324 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.271 6.894 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.519 7.708 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.803 7.856 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.137 4.855 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.592 5.683 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.562 4.196 -3.421 1.00 0.00 H new ATOM 1460 N THR A 97 2.581 6.334 -7.051 1.00 0.00 N ATOM 1461 CA THR A 97 2.317 6.898 -8.364 1.00 0.00 C ATOM 1462 C THR A 97 1.633 8.260 -8.231 1.00 0.00 C ATOM 1463 O THR A 97 1.490 8.782 -7.127 1.00 0.00 O ATOM 1464 CB THR A 97 1.496 5.881 -9.159 1.00 0.00 C ATOM 1465 OG1 THR A 97 0.386 5.594 -8.313 1.00 0.00 O ATOM 1466 CG2 THR A 97 2.211 4.536 -9.303 1.00 0.00 C ATOM 0 H THR A 97 1.801 6.394 -6.397 1.00 0.00 H new ATOM 0 HA THR A 97 3.243 7.086 -8.908 1.00 0.00 H new ATOM 0 HB THR A 97 1.278 6.284 -10.148 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.200 4.943 -8.752 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.585 3.851 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 97 3.159 4.681 -9.822 1.00 0.00 H new ATOM 0 HG23 THR A 97 2.399 4.116 -8.315 1.00 0.00 H new ATOM 1474 N LYS A 98 1.228 8.796 -9.373 1.00 0.00 N ATOM 1475 CA LYS A 98 0.562 10.087 -9.400 1.00 0.00 C ATOM 1476 C LYS A 98 -0.943 9.885 -9.211 1.00 0.00 C ATOM 1477 O LYS A 98 -1.720 10.830 -9.333 1.00 0.00 O ATOM 1478 CB LYS A 98 0.925 10.852 -10.674 1.00 0.00 C ATOM 1479 CG LYS A 98 2.244 11.608 -10.503 1.00 0.00 C ATOM 1480 CD LYS A 98 2.097 13.070 -10.929 1.00 0.00 C ATOM 1481 CE LYS A 98 3.466 13.715 -11.157 1.00 0.00 C ATOM 0 H LYS A 98 1.348 8.359 -10.287 1.00 0.00 H new ATOM 0 HA LYS A 98 0.906 10.709 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.006 10.156 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 98 0.129 11.554 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.563 11.559 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.022 11.129 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.507 13.128 -11.843 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.554 13.623 -10.163 1.00 0.00 H new ATOM 1495 N ALA A 99 -1.308 8.646 -8.917 1.00 0.00 N ATOM 1496 CA ALA A 99 -2.706 8.307 -8.710 1.00 0.00 C ATOM 1497 C ALA A 99 -2.933 7.977 -7.234 1.00 0.00 C ATOM 1498 O ALA A 99 -4.039 7.607 -6.840 1.00 0.00 O ATOM 1499 CB ALA A 99 -3.093 7.151 -9.634 1.00 0.00 C ATOM 0 H ALA A 99 -0.660 7.864 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.348 9.152 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.141 6.897 -9.479 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.941 7.448 -10.672 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.472 6.283 -9.411 1.00 0.00 H new ATOM 1505 N MET A 100 -1.869 8.120 -6.457 1.00 0.00 N ATOM 1506 CA MET A 100 -1.939 7.841 -5.033 1.00 0.00 C ATOM 1507 C MET A 100 -1.924 9.137 -4.219 1.00 0.00 C ATOM 1508 O MET A 100 -1.962 9.102 -2.990 1.00 0.00 O ATOM 1509 CB MET A 100 -0.752 6.968 -4.625 1.00 0.00 C ATOM 1510 CG MET A 100 -0.785 5.621 -5.351 1.00 0.00 C ATOM 1511 SD MET A 100 -2.303 4.761 -4.973 1.00 0.00 S ATOM 1512 CE MET A 100 -2.970 4.569 -6.617 1.00 0.00 C ATOM 0 H MET A 100 -0.954 8.426 -6.787 1.00 0.00 H new ATOM 0 HA MET A 100 -2.873 7.317 -4.830 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.180 7.485 -4.854 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.770 6.805 -3.547 1.00 0.00 H new ATOM 0 HG2 MET A 100 -0.704 5.776 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.070 5.016 -5.051 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.528 3.634 -6.676 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.635 5.403 -6.840 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.155 4.552 -7.341 1.00 0.00 H new ATOM 1522 N ASP A 101 -1.870 10.249 -4.937 1.00 0.00 N ATOM 1523 CA ASP A 101 -1.850 11.552 -4.297 1.00 0.00 C ATOM 1524 C ASP A 101 -2.964 11.620 -3.250 1.00 0.00 C ATOM 1525 O ASP A 101 -4.140 11.711 -3.597 1.00 0.00 O ATOM 1526 CB ASP A 101 -2.089 12.669 -5.314 1.00 0.00 C ATOM 1527 CG ASP A 101 -3.302 12.467 -6.224 1.00 0.00 C ATOM 1528 OD1 ASP A 101 -4.352 13.101 -6.040 1.00 0.00 O ATOM 1529 OD2 ASP A 101 -3.138 11.602 -7.168 1.00 0.00 O ATOM 0 H ASP A 101 -1.839 10.274 -5.956 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.871 11.686 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -2.210 13.609 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.200 12.770 -5.936 1.00 0.00 H new ATOM 1535 N ASN A 102 -2.554 11.571 -1.992 1.00 0.00 N ATOM 1536 CA ASN A 102 -3.502 11.626 -0.892 1.00 0.00 C ATOM 1537 C ASN A 102 -4.395 10.384 -0.933 1.00 0.00 C ATOM 1538 O ASN A 102 -5.610 10.483 -0.772 1.00 0.00 O ATOM 1539 CB ASN A 102 -4.402 12.858 -1.001 1.00 0.00 C ATOM 1540 CG ASN A 102 -4.674 13.462 0.377 1.00 0.00 C ATOM 1541 OD1 ASN A 102 -4.197 12.989 1.397 1.00 0.00 O ATOM 1542 ND2 ASN A 102 -5.464 14.532 0.354 1.00 0.00 N ATOM 0 H ASN A 102 -1.577 11.494 -1.709 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.936 11.674 0.039 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -3.929 13.603 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.345 12.583 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -5.704 15.008 1.224 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -5.830 14.877 -0.533 1.00 0.00 H new ATOM 1549 N MET A 103 -3.757 9.243 -1.150 1.00 0.00 N ATOM 1550 CA MET A 103 -4.478 7.983 -1.214 1.00 0.00 C ATOM 1551 C MET A 103 -4.671 7.390 0.183 1.00 0.00 C ATOM 1552 O MET A 103 -3.878 7.650 1.086 1.00 0.00 O ATOM 1553 CB MET A 103 -3.702 6.994 -2.086 1.00 0.00 C ATOM 1554 CG MET A 103 -2.413 6.546 -1.394 1.00 0.00 C ATOM 1555 SD MET A 103 -2.127 4.811 -1.699 1.00 0.00 S ATOM 1556 CE MET A 103 -0.361 4.830 -1.960 1.00 0.00 C ATOM 0 H MET A 103 -2.749 9.165 -1.284 1.00 0.00 H new ATOM 0 HA MET A 103 -5.460 8.170 -1.648 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.325 6.125 -2.299 1.00 0.00 H new ATOM 0 HB3 MET A 103 -3.463 7.458 -3.043 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.571 7.132 -1.762 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.484 6.728 -0.322 1.00 0.00 H new ATOM 0 HE1 MET A 103 -0.133 4.408 -2.939 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.003 5.857 -1.914 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.127 4.237 -1.187 1.00 0.00 H new ATOM 1566 N THR A 104 -5.729 6.604 0.316 1.00 0.00 N ATOM 1567 CA THR A 104 -6.036 5.971 1.588 1.00 0.00 C ATOM 1568 C THR A 104 -6.014 4.448 1.446 1.00 0.00 C ATOM 1569 O THR A 104 -6.489 3.907 0.448 1.00 0.00 O ATOM 1570 CB THR A 104 -7.381 6.516 2.075 1.00 0.00 C ATOM 1571 OG1 THR A 104 -7.102 7.869 2.421 1.00 0.00 O ATOM 1572 CG2 THR A 104 -7.828 5.879 3.392 1.00 0.00 C ATOM 0 H THR A 104 -6.385 6.391 -0.436 1.00 0.00 H new ATOM 0 HA THR A 104 -5.282 6.207 2.339 1.00 0.00 H new ATOM 0 HB THR A 104 -8.140 6.344 1.312 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.921 8.299 2.746 1.00 0.00 H new ATOM 0 HG21 THR A 104 -8.787 6.300 3.693 1.00 0.00 H new ATOM 0 HG22 THR A 104 -7.931 4.802 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 104 -7.085 6.080 4.164 1.00 0.00 H new ATOM 1580 N VAL A 105 -5.455 3.800 2.458 1.00 0.00 N ATOM 1581 CA VAL A 105 -5.364 2.349 2.457 1.00 0.00 C ATOM 1582 C VAL A 105 -5.711 1.820 3.850 1.00 0.00 C ATOM 1583 O VAL A 105 -5.542 2.524 4.845 1.00 0.00 O ATOM 1584 CB VAL A 105 -3.977 1.912 1.981 1.00 0.00 C ATOM 1585 CG1 VAL A 105 -3.558 2.686 0.729 1.00 0.00 C ATOM 1586 CG2 VAL A 105 -2.941 2.068 3.095 1.00 0.00 C ATOM 0 H VAL A 105 -5.061 4.252 3.283 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.083 1.922 1.758 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.030 0.855 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.569 2.356 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.276 2.501 -0.070 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.531 3.752 0.953 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.964 1.751 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.892 3.113 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -3.228 1.452 3.947 1.00 0.00 H new ATOM 1596 N ARG A 106 -6.191 0.586 3.877 1.00 0.00 N ATOM 1597 CA ARG A 106 -6.564 -0.045 5.131 1.00 0.00 C ATOM 1598 C ARG A 106 -5.747 -1.320 5.348 1.00 0.00 C ATOM 1599 O ARG A 106 -5.360 -1.984 4.388 1.00 0.00 O ATOM 1600 CB ARG A 106 -8.054 -0.393 5.152 1.00 0.00 C ATOM 1601 CG ARG A 106 -8.470 -0.942 6.517 1.00 0.00 C ATOM 1602 CD ARG A 106 -9.895 -1.500 6.473 1.00 0.00 C ATOM 1603 NE ARG A 106 -10.119 -2.407 7.621 1.00 0.00 N ATOM 1604 CZ ARG A 106 -10.444 -1.989 8.863 1.00 0.00 C ATOM 1605 NH1 ARG A 106 -10.586 -0.674 9.128 1.00 0.00 N ATOM 1606 NH2 ARG A 106 -10.622 -2.888 9.814 1.00 0.00 N ATOM 0 H ARG A 106 -6.330 0.006 3.050 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.357 0.664 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.642 0.495 4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.270 -1.130 4.379 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.778 -1.726 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.408 -0.152 7.265 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.615 -0.682 6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -10.055 -2.037 5.538 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.022 -3.410 7.464 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.448 0.013 8.387 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.832 -0.367 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.514 -3.880 9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.868 -2.590 10.758 1.00 0.00 H new ATOM 1619 N VAL A 107 -5.507 -1.623 6.615 1.00 0.00 N ATOM 1620 CA VAL A 107 -4.743 -2.807 6.970 1.00 0.00 C ATOM 1621 C VAL A 107 -5.667 -3.821 7.647 1.00 0.00 C ATOM 1622 O VAL A 107 -5.953 -3.709 8.837 1.00 0.00 O ATOM 1623 CB VAL A 107 -3.545 -2.416 7.839 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -3.021 -3.620 8.624 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -2.437 -1.785 6.994 1.00 0.00 C ATOM 0 H VAL A 107 -5.828 -1.069 7.409 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.338 -3.282 6.077 1.00 0.00 H new ATOM 0 HB VAL A 107 -3.882 -1.670 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.170 -3.315 9.233 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.810 -4.005 9.270 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.709 -4.400 7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.598 -1.517 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.103 -2.498 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.819 -0.890 6.503 1.00 0.00 H new ATOM 1635 N PRO A 108 -6.119 -4.816 6.837 1.00 0.00 N ATOM 1636 CA PRO A 108 -7.005 -5.850 7.344 1.00 0.00 C ATOM 1637 C PRO A 108 -6.238 -6.854 8.207 1.00 0.00 C ATOM 1638 O PRO A 108 -6.740 -7.939 8.498 1.00 0.00 O ATOM 1639 CB PRO A 108 -7.624 -6.480 6.107 1.00 0.00 C ATOM 1640 CG PRO A 108 -6.720 -6.096 4.948 1.00 0.00 C ATOM 1641 CD PRO A 108 -5.801 -4.982 5.422 1.00 0.00 C ATOM 0 HA PRO A 108 -7.779 -5.455 8.002 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -7.688 -7.563 6.211 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -8.639 -6.115 5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.138 -6.956 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -7.313 -5.765 4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.753 -5.246 5.280 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.976 -4.061 4.866 1.00 0.00 H new