USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 430 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -150:sc= 0.169 (180deg=-0.346) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00493 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.19! C(o=-3.8!,f=-2.2!) USER MOD Single : A 6 HIS : no HD1:sc= -7.42! C(o=-7.4!,f=-14!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -5.21! C(o=-6.1!,f=-5.2!) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0365 USER MOD Single : A 23 TYR OH : rot 30:sc= 0.00334 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= -10.5! C(o=-14!,f=-10!) USER MOD Single : A 28 THR OG1 : rot -9:sc= 0.897 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.251 F(o=-0.9,f=-0.25) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0661 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.97! C(o=-6!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.878 11.034 3.643 1.00 0.00 N ATOM 2 CA ARG A 1 2.241 12.075 2.790 1.00 0.00 C ATOM 3 C ARG A 1 0.935 11.511 2.209 1.00 0.00 C ATOM 4 O ARG A 1 0.318 10.649 2.802 1.00 0.00 O ATOM 5 CB ARG A 1 3.232 12.475 1.681 1.00 0.00 C ATOM 6 CG ARG A 1 3.050 11.613 0.422 1.00 0.00 C ATOM 7 CD ARG A 1 4.407 11.096 -0.061 1.00 0.00 C ATOM 8 NE ARG A 1 5.256 12.209 -0.599 1.00 0.00 N ATOM 9 CZ ARG A 1 5.135 13.439 -0.164 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.483 13.750 1.052 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.726 14.376 -0.976 1.00 0.00 N ATOM 0 H1 ARG A 1 3.419 11.492 4.404 1.00 0.00 H new ATOM 0 H2 ARG A 1 2.142 10.427 4.058 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.518 10.455 3.064 1.00 0.00 H new ATOM 0 HA ARG A 1 1.997 12.965 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.090 13.525 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 1 4.253 12.371 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 1 2.388 10.774 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.574 12.199 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.926 10.606 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 1 4.257 10.344 -0.835 1.00 0.00 H new ATOM 0 HE ARG A 1 5.945 12.003 -1.322 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.854 13.033 1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.385 14.711 1.381 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.502 14.149 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 1 4.630 15.335 -0.641 1.00 0.00 H new ATOM 27 N ILE A 2 0.501 11.968 1.059 1.00 0.00 N ATOM 28 CA ILE A 2 -0.765 11.410 0.494 1.00 0.00 C ATOM 29 C ILE A 2 -0.467 10.154 -0.308 1.00 0.00 C ATOM 30 O ILE A 2 0.116 10.216 -1.366 1.00 0.00 O ATOM 31 CB ILE A 2 -1.431 12.422 -0.441 1.00 0.00 C ATOM 32 CG1 ILE A 2 -1.994 13.560 0.392 1.00 0.00 C ATOM 33 CG2 ILE A 2 -2.573 11.742 -1.205 1.00 0.00 C ATOM 34 CD1 ILE A 2 -0.949 14.670 0.521 1.00 0.00 C ATOM 0 H ILE A 2 0.958 12.687 0.498 1.00 0.00 H new ATOM 0 HA ILE A 2 -1.431 11.182 1.327 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.699 12.804 -1.152 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.899 13.951 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.276 13.196 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.046 12.464 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.176 10.914 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.310 11.364 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.356 15.485 1.119 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.056 14.275 1.006 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.689 15.042 -0.470 1.00 0.00 H new ATOM 46 N CYS A 3 -0.886 9.015 0.156 1.00 0.00 N ATOM 47 CA CYS A 3 -0.637 7.792 -0.644 1.00 0.00 C ATOM 48 C CYS A 3 -1.975 7.124 -0.962 1.00 0.00 C ATOM 49 O CYS A 3 -3.003 7.491 -0.426 1.00 0.00 O ATOM 50 CB CYS A 3 0.272 6.815 0.112 1.00 0.00 C ATOM 51 SG CYS A 3 1.824 7.633 0.561 1.00 0.00 S ATOM 0 H CYS A 3 -1.381 8.879 1.037 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.132 8.071 -1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.232 6.456 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.477 5.943 -0.508 1.00 0.00 H new ATOM 56 N TYR A 4 -1.983 6.153 -1.836 1.00 0.00 N ATOM 57 CA TYR A 4 -3.269 5.486 -2.178 1.00 0.00 C ATOM 58 C TYR A 4 -3.649 4.521 -1.060 1.00 0.00 C ATOM 59 O TYR A 4 -2.815 3.812 -0.541 1.00 0.00 O ATOM 60 CB TYR A 4 -3.127 4.702 -3.486 1.00 0.00 C ATOM 61 CG TYR A 4 -3.871 5.415 -4.588 1.00 0.00 C ATOM 62 CD1 TYR A 4 -3.357 6.603 -5.117 1.00 0.00 C ATOM 63 CD2 TYR A 4 -5.068 4.889 -5.084 1.00 0.00 C ATOM 64 CE1 TYR A 4 -4.037 7.267 -6.140 1.00 0.00 C ATOM 65 CE2 TYR A 4 -5.751 5.554 -6.109 1.00 0.00 C ATOM 66 CZ TYR A 4 -5.236 6.744 -6.637 1.00 0.00 C ATOM 67 OH TYR A 4 -5.910 7.400 -7.647 1.00 0.00 O ATOM 0 H TYR A 4 -1.161 5.796 -2.323 1.00 0.00 H new ATOM 0 HA TYR A 4 -4.041 6.246 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.074 4.603 -3.750 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.521 3.693 -3.361 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.432 7.008 -4.734 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.465 3.971 -4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -3.638 8.184 -6.548 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -6.676 5.149 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.723 6.902 -7.875 1.00 0.00 H new ATOM 77 N ASN A 5 -4.904 4.488 -0.698 1.00 0.00 N ATOM 78 CA ASN A 5 -5.364 3.563 0.375 1.00 0.00 C ATOM 79 C ASN A 5 -6.294 2.516 -0.246 1.00 0.00 C ATOM 80 O ASN A 5 -7.135 1.939 0.415 1.00 0.00 O ATOM 81 CB ASN A 5 -6.115 4.358 1.448 1.00 0.00 C ATOM 82 CG ASN A 5 -6.739 3.399 2.462 1.00 0.00 C ATOM 83 OD1 ASN A 5 -6.216 2.217 2.631 1.00 0.00 O flip ATOM 84 ND2 ASN A 5 -7.714 3.729 3.108 1.00 0.00 N flip ATOM 0 H ASN A 5 -5.637 5.069 -1.105 1.00 0.00 H new ATOM 0 HA ASN A 5 -4.509 3.068 0.836 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.431 5.041 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.891 4.968 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.124 4.654 2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.122 3.081 3.782 1.00 0.00 H new ATOM 91 N HIS A 6 -6.157 2.277 -1.519 1.00 0.00 N ATOM 92 CA HIS A 6 -7.039 1.283 -2.190 1.00 0.00 C ATOM 93 C HIS A 6 -6.681 -0.127 -1.724 1.00 0.00 C ATOM 94 O HIS A 6 -5.528 -0.477 -1.564 1.00 0.00 O ATOM 95 CB HIS A 6 -6.877 1.411 -3.707 1.00 0.00 C ATOM 96 CG HIS A 6 -7.224 0.119 -4.402 1.00 0.00 C ATOM 97 ND1 HIS A 6 -6.487 -0.364 -5.471 1.00 0.00 N ATOM 98 CD2 HIS A 6 -8.232 -0.790 -4.199 1.00 0.00 C ATOM 99 CE1 HIS A 6 -7.056 -1.517 -5.868 1.00 0.00 C ATOM 100 NE2 HIS A 6 -8.123 -1.824 -5.126 1.00 0.00 N ATOM 0 H HIS A 6 -5.471 2.728 -2.125 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.079 1.475 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.518 2.210 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.850 1.690 -3.944 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.994 -0.715 -3.437 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.694 -2.121 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -8.728 -2.640 -5.218 1.00 0.00 H new ATOM 108 N LEU A 7 -7.677 -0.930 -1.503 1.00 0.00 N ATOM 109 CA LEU A 7 -7.435 -2.329 -1.039 1.00 0.00 C ATOM 110 C LEU A 7 -7.681 -3.320 -2.181 1.00 0.00 C ATOM 111 O LEU A 7 -8.757 -3.360 -2.741 1.00 0.00 O ATOM 112 CB LEU A 7 -8.382 -2.650 0.119 1.00 0.00 C ATOM 113 CG LEU A 7 -7.706 -2.295 1.444 1.00 0.00 C ATOM 114 CD1 LEU A 7 -7.867 -0.797 1.711 1.00 0.00 C ATOM 115 CD2 LEU A 7 -8.361 -3.090 2.576 1.00 0.00 C ATOM 0 H LEU A 7 -8.659 -0.680 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.400 -2.417 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.310 -2.089 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.646 -3.708 0.105 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.646 -2.542 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.386 -0.542 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.403 -0.231 0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.927 -0.549 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.881 -2.839 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.421 -2.841 2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.248 -4.157 2.384 1.00 0.00 H new ATOM 127 N GLY A 8 -6.687 -4.123 -2.500 1.00 0.00 N ATOM 128 CA GLY A 8 -6.806 -5.155 -3.589 1.00 0.00 C ATOM 129 C GLY A 8 -8.097 -5.004 -4.407 1.00 0.00 C ATOM 130 O GLY A 8 -8.138 -4.298 -5.395 1.00 0.00 O ATOM 0 H GLY A 8 -5.777 -4.106 -2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.947 -5.076 -4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.775 -6.150 -3.146 1.00 0.00 H new ATOM 134 N THR A 9 -9.147 -5.683 -4.017 1.00 0.00 N ATOM 135 CA THR A 9 -10.424 -5.599 -4.788 1.00 0.00 C ATOM 136 C THR A 9 -11.372 -4.570 -4.156 1.00 0.00 C ATOM 137 O THR A 9 -12.194 -3.983 -4.831 1.00 0.00 O ATOM 138 CB THR A 9 -11.095 -6.978 -4.804 1.00 0.00 C ATOM 139 OG1 THR A 9 -12.041 -7.028 -5.863 1.00 0.00 O ATOM 140 CG2 THR A 9 -11.806 -7.228 -3.471 1.00 0.00 C ATOM 0 H THR A 9 -9.174 -6.291 -3.199 1.00 0.00 H new ATOM 0 HA THR A 9 -10.202 -5.282 -5.807 1.00 0.00 H new ATOM 0 HB THR A 9 -10.336 -7.746 -4.953 1.00 0.00 H new ATOM 0 HG1 THR A 9 -12.470 -7.909 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.280 -8.209 -3.490 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.080 -7.191 -2.659 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.565 -6.461 -3.314 1.00 0.00 H new ATOM 148 N LYS A 10 -11.272 -4.353 -2.873 1.00 0.00 N ATOM 149 CA LYS A 10 -12.172 -3.363 -2.211 1.00 0.00 C ATOM 150 C LYS A 10 -12.166 -2.058 -3.020 1.00 0.00 C ATOM 151 O LYS A 10 -11.468 -1.955 -4.009 1.00 0.00 O ATOM 152 CB LYS A 10 -11.664 -3.102 -0.790 1.00 0.00 C ATOM 153 CG LYS A 10 -12.731 -3.540 0.218 1.00 0.00 C ATOM 154 CD LYS A 10 -12.457 -2.886 1.574 1.00 0.00 C ATOM 155 CE LYS A 10 -12.817 -3.865 2.694 1.00 0.00 C ATOM 156 NZ LYS A 10 -13.947 -3.314 3.492 1.00 0.00 N ATOM 0 H LYS A 10 -10.607 -4.817 -2.254 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.190 -3.750 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.737 -3.649 -0.617 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.438 -2.043 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.721 -3.257 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.726 -4.625 0.319 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.407 -2.603 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.042 -1.972 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.093 -4.831 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.952 -4.033 3.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.191 -3.979 4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.667 -2.402 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.773 -3.175 2.875 1.00 0.00 H new ATOM 170 N PRO A 11 -12.938 -1.092 -2.583 1.00 0.00 N ATOM 171 CA PRO A 11 -13.018 0.207 -3.271 1.00 0.00 C ATOM 172 C PRO A 11 -11.717 0.983 -3.045 1.00 0.00 C ATOM 173 O PRO A 11 -11.252 1.091 -1.927 1.00 0.00 O ATOM 174 CB PRO A 11 -14.228 0.891 -2.626 1.00 0.00 C ATOM 175 CG PRO A 11 -14.442 0.198 -1.262 1.00 0.00 C ATOM 176 CD PRO A 11 -13.775 -1.188 -1.369 1.00 0.00 C ATOM 0 HA PRO A 11 -13.137 0.133 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.048 1.958 -2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.112 0.792 -3.256 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.998 0.782 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.504 0.102 -1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.174 -1.410 -0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.517 -1.982 -1.458 1.00 0.00 H new ATOM 184 N PRO A 12 -11.145 1.467 -4.120 1.00 0.00 N ATOM 185 CA PRO A 12 -9.867 2.195 -4.071 1.00 0.00 C ATOM 186 C PRO A 12 -10.043 3.624 -3.557 1.00 0.00 C ATOM 187 O PRO A 12 -10.830 4.393 -4.072 1.00 0.00 O ATOM 188 CB PRO A 12 -9.395 2.195 -5.528 1.00 0.00 C ATOM 189 CG PRO A 12 -10.658 1.983 -6.395 1.00 0.00 C ATOM 190 CD PRO A 12 -11.716 1.341 -5.478 1.00 0.00 C ATOM 0 HA PRO A 12 -9.155 1.731 -3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.906 3.136 -5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -8.667 1.402 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.016 2.931 -6.796 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.440 1.338 -7.246 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.674 1.854 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.891 0.298 -5.741 1.00 0.00 H new ATOM 198 N THR A 13 -9.296 3.984 -2.549 1.00 0.00 N ATOM 199 CA THR A 13 -9.395 5.367 -2.001 1.00 0.00 C ATOM 200 C THR A 13 -8.004 5.836 -1.584 1.00 0.00 C ATOM 201 O THR A 13 -7.212 5.068 -1.079 1.00 0.00 O ATOM 202 CB THR A 13 -10.327 5.394 -0.782 1.00 0.00 C ATOM 203 OG1 THR A 13 -9.759 6.214 0.231 1.00 0.00 O ATOM 204 CG2 THR A 13 -10.525 3.977 -0.234 1.00 0.00 C ATOM 0 H THR A 13 -8.621 3.380 -2.081 1.00 0.00 H new ATOM 0 HA THR A 13 -9.801 6.027 -2.768 1.00 0.00 H new ATOM 0 HB THR A 13 -11.293 5.797 -1.086 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.355 6.233 1.009 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.188 4.011 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.967 3.347 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.561 3.564 0.064 1.00 0.00 H new ATOM 212 N THR A 14 -7.699 7.088 -1.775 1.00 0.00 N ATOM 213 CA THR A 14 -6.356 7.583 -1.368 1.00 0.00 C ATOM 214 C THR A 14 -6.370 7.902 0.122 1.00 0.00 C ATOM 215 O THR A 14 -7.395 7.851 0.771 1.00 0.00 O ATOM 216 CB THR A 14 -5.992 8.839 -2.155 1.00 0.00 C ATOM 217 OG1 THR A 14 -7.088 9.743 -2.144 1.00 0.00 O ATOM 218 CG2 THR A 14 -5.661 8.449 -3.591 1.00 0.00 C ATOM 0 H THR A 14 -8.316 7.785 -2.192 1.00 0.00 H new ATOM 0 HA THR A 14 -5.614 6.812 -1.576 1.00 0.00 H new ATOM 0 HB THR A 14 -5.128 9.321 -1.699 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.852 10.549 -2.648 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.400 9.342 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.819 7.757 -3.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.527 7.969 -4.047 1.00 0.00 H new ATOM 226 N GLU A 15 -5.237 8.226 0.670 1.00 0.00 N ATOM 227 CA GLU A 15 -5.186 8.544 2.123 1.00 0.00 C ATOM 228 C GLU A 15 -4.016 9.479 2.407 1.00 0.00 C ATOM 229 O GLU A 15 -3.288 9.873 1.518 1.00 0.00 O ATOM 230 CB GLU A 15 -5.003 7.255 2.924 1.00 0.00 C ATOM 231 CG GLU A 15 -6.373 6.680 3.290 1.00 0.00 C ATOM 232 CD GLU A 15 -7.126 7.681 4.166 1.00 0.00 C ATOM 233 OE1 GLU A 15 -6.500 8.269 5.033 1.00 0.00 O ATOM 234 OE2 GLU A 15 -8.317 7.844 3.957 1.00 0.00 O ATOM 0 H GLU A 15 -4.345 8.285 0.178 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.118 9.029 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.437 6.529 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.428 7.455 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.944 6.469 2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.253 5.735 3.819 1.00 0.00 H new ATOM 241 N THR A 16 -3.826 9.833 3.647 1.00 0.00 N ATOM 242 CA THR A 16 -2.702 10.737 3.999 1.00 0.00 C ATOM 243 C THR A 16 -2.031 10.237 5.277 1.00 0.00 C ATOM 244 O THR A 16 -2.684 9.899 6.243 1.00 0.00 O ATOM 245 CB THR A 16 -3.235 12.147 4.242 1.00 0.00 C ATOM 246 OG1 THR A 16 -4.498 12.290 3.607 1.00 0.00 O ATOM 247 CG2 THR A 16 -2.256 13.179 3.683 1.00 0.00 C ATOM 0 H THR A 16 -4.404 9.533 4.432 1.00 0.00 H new ATOM 0 HA THR A 16 -1.982 10.751 3.180 1.00 0.00 H new ATOM 0 HB THR A 16 -3.346 12.310 5.314 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.842 13.194 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.644 14.182 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.291 13.070 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.134 13.022 2.611 1.00 0.00 H new ATOM 255 N CYS A 17 -0.734 10.199 5.291 1.00 0.00 N ATOM 256 CA CYS A 17 -0.014 9.732 6.507 1.00 0.00 C ATOM 257 C CYS A 17 1.232 10.590 6.710 1.00 0.00 C ATOM 258 O CYS A 17 1.372 11.643 6.120 1.00 0.00 O ATOM 259 CB CYS A 17 0.386 8.267 6.344 1.00 0.00 C ATOM 260 SG CYS A 17 -0.933 7.377 5.478 1.00 0.00 S ATOM 0 H CYS A 17 -0.136 10.472 4.511 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.667 9.823 7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.318 8.193 5.784 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.564 7.816 7.320 1.00 0.00 H new ATOM 265 N GLN A 18 2.137 10.162 7.544 1.00 0.00 N ATOM 266 CA GLN A 18 3.361 10.975 7.778 1.00 0.00 C ATOM 267 C GLN A 18 4.502 10.505 6.896 1.00 0.00 C ATOM 268 O GLN A 18 5.266 11.292 6.371 1.00 0.00 O ATOM 269 CB GLN A 18 3.808 10.836 9.227 1.00 0.00 C ATOM 270 CG GLN A 18 5.188 11.497 9.419 1.00 0.00 C ATOM 271 CD GLN A 18 5.340 12.718 8.497 1.00 0.00 C ATOM 272 OE1 GLN A 18 4.340 13.546 8.349 1.00 0.00 O flip ATOM 273 NE2 GLN A 18 6.383 12.918 7.907 1.00 0.00 N flip ATOM 0 H GLN A 18 2.083 9.290 8.071 1.00 0.00 H new ATOM 0 HA GLN A 18 3.117 12.011 7.545 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.077 11.302 9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.859 9.782 9.501 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.309 11.803 10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.976 10.774 9.206 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.165 12.273 8.021 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.477 13.731 7.298 1.00 0.00 H new ATOM 282 N GLU A 19 4.651 9.229 6.760 1.00 0.00 N ATOM 283 CA GLU A 19 5.788 8.720 5.940 1.00 0.00 C ATOM 284 C GLU A 19 5.599 9.167 4.497 1.00 0.00 C ATOM 285 O GLU A 19 4.558 8.977 3.901 1.00 0.00 O ATOM 286 CB GLU A 19 5.866 7.189 5.976 1.00 0.00 C ATOM 287 CG GLU A 19 5.178 6.649 7.232 1.00 0.00 C ATOM 288 CD GLU A 19 5.828 5.327 7.642 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.023 5.189 7.441 1.00 0.00 O ATOM 290 OE2 GLU A 19 5.119 4.473 8.150 1.00 0.00 O ATOM 0 H GLU A 19 4.048 8.517 7.172 1.00 0.00 H new ATOM 0 HA GLU A 19 6.712 9.122 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.392 6.773 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.908 6.871 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.258 7.373 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.115 6.500 7.042 1.00 0.00 H new ATOM 297 N ASP A 20 6.612 9.762 3.937 1.00 0.00 N ATOM 298 CA ASP A 20 6.511 10.229 2.523 1.00 0.00 C ATOM 299 C ASP A 20 6.496 9.015 1.608 1.00 0.00 C ATOM 300 O ASP A 20 6.313 9.125 0.411 1.00 0.00 O ATOM 301 CB ASP A 20 7.698 11.126 2.128 1.00 0.00 C ATOM 302 CG ASP A 20 8.854 10.968 3.118 1.00 0.00 C ATOM 303 OD1 ASP A 20 9.061 9.860 3.584 1.00 0.00 O ATOM 304 OD2 ASP A 20 9.513 11.957 3.392 1.00 0.00 O ATOM 0 H ASP A 20 7.505 9.946 4.394 1.00 0.00 H new ATOM 0 HA ASP A 20 5.596 10.813 2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.036 10.868 1.124 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.378 12.168 2.099 1.00 0.00 H new ATOM 309 N SER A 21 6.696 7.850 2.154 1.00 0.00 N ATOM 310 CA SER A 21 6.699 6.644 1.301 1.00 0.00 C ATOM 311 C SER A 21 5.253 6.180 1.081 1.00 0.00 C ATOM 312 O SER A 21 4.345 6.614 1.761 1.00 0.00 O ATOM 313 CB SER A 21 7.493 5.528 1.988 1.00 0.00 C ATOM 314 OG SER A 21 8.262 6.082 3.047 1.00 0.00 O ATOM 0 H SER A 21 6.856 7.686 3.148 1.00 0.00 H new ATOM 0 HA SER A 21 7.162 6.877 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.814 4.768 2.375 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.146 5.035 1.268 1.00 0.00 H new ATOM 0 HG SER A 21 8.770 5.370 3.490 1.00 0.00 H new ATOM 320 N CYS A 22 5.038 5.275 0.166 1.00 0.00 N ATOM 321 CA CYS A 22 3.664 4.746 -0.070 1.00 0.00 C ATOM 322 C CYS A 22 3.818 3.264 -0.388 1.00 0.00 C ATOM 323 O CYS A 22 4.483 2.895 -1.332 1.00 0.00 O ATOM 324 CB CYS A 22 2.999 5.474 -1.245 1.00 0.00 C ATOM 325 SG CYS A 22 3.077 7.268 -0.986 1.00 0.00 S ATOM 0 H CYS A 22 5.761 4.876 -0.433 1.00 0.00 H new ATOM 0 HA CYS A 22 3.033 4.900 0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.499 5.211 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.961 5.157 -1.340 1.00 0.00 H new ATOM 330 N TYR A 23 3.251 2.399 0.402 1.00 0.00 N ATOM 331 CA TYR A 23 3.438 0.952 0.124 1.00 0.00 C ATOM 332 C TYR A 23 2.207 0.359 -0.532 1.00 0.00 C ATOM 333 O TYR A 23 1.095 0.530 -0.078 1.00 0.00 O ATOM 334 CB TYR A 23 3.729 0.175 1.415 1.00 0.00 C ATOM 335 CG TYR A 23 2.466 0.018 2.232 1.00 0.00 C ATOM 336 CD1 TYR A 23 1.938 1.107 2.933 1.00 0.00 C ATOM 337 CD2 TYR A 23 1.826 -1.228 2.293 1.00 0.00 C ATOM 338 CE1 TYR A 23 0.773 0.952 3.692 1.00 0.00 C ATOM 339 CE2 TYR A 23 0.662 -1.382 3.053 1.00 0.00 C ATOM 340 CZ TYR A 23 0.135 -0.292 3.752 1.00 0.00 C ATOM 341 OH TYR A 23 -1.014 -0.444 4.501 1.00 0.00 O ATOM 0 H TYR A 23 2.676 2.625 1.214 1.00 0.00 H new ATOM 0 HA TYR A 23 4.288 0.865 -0.553 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.137 -0.806 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.485 0.699 2.000 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.430 2.068 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.232 -2.070 1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 23 0.365 1.794 4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.171 -2.343 3.100 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.505 0.404 4.523 1.00 0.00 H new ATOM 351 N LYS A 24 2.426 -0.366 -1.580 1.00 0.00 N ATOM 352 CA LYS A 24 1.312 -1.042 -2.287 1.00 0.00 C ATOM 353 C LYS A 24 1.802 -2.428 -2.643 1.00 0.00 C ATOM 354 O LYS A 24 2.518 -2.635 -3.602 1.00 0.00 O ATOM 355 CB LYS A 24 0.911 -0.224 -3.507 1.00 0.00 C ATOM 356 CG LYS A 24 0.328 -1.098 -4.620 1.00 0.00 C ATOM 357 CD LYS A 24 1.005 -0.719 -5.932 1.00 0.00 C ATOM 358 CE LYS A 24 0.072 0.177 -6.745 1.00 0.00 C ATOM 359 NZ LYS A 24 -0.220 -0.470 -8.055 1.00 0.00 N ATOM 0 H LYS A 24 3.348 -0.524 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 24 0.417 -1.127 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.177 0.527 -3.214 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.781 0.312 -3.886 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.492 -2.153 -4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.750 -0.951 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.943 -0.201 -5.733 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.251 -1.617 -6.500 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.855 0.348 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.533 1.152 -6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.855 0.139 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.668 -0.611 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.677 -1.390 -7.894 1.00 0.00 H new ATOM 373 N ASN A 25 1.465 -3.368 -1.817 1.00 0.00 N ATOM 374 CA ASN A 25 1.952 -4.750 -2.022 1.00 0.00 C ATOM 375 C ASN A 25 0.887 -5.580 -2.731 1.00 0.00 C ATOM 376 O ASN A 25 -0.237 -5.157 -2.891 1.00 0.00 O ATOM 377 CB ASN A 25 2.309 -5.361 -0.655 1.00 0.00 C ATOM 378 CG ASN A 25 2.739 -4.260 0.327 1.00 0.00 C ATOM 379 OD1 ASN A 25 3.258 -3.144 -0.118 1.00 0.00 O flip ATOM 380 ND2 ASN A 25 2.598 -4.419 1.523 1.00 0.00 N flip ATOM 0 H ASN A 25 0.867 -3.237 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 25 2.842 -4.742 -2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.450 -5.899 -0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.114 -6.087 -0.773 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.194 -5.286 1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.883 -3.686 2.172 1.00 0.00 H new ATOM 387 N ILE A 26 1.247 -6.748 -3.181 1.00 0.00 N ATOM 388 CA ILE A 26 0.269 -7.605 -3.907 1.00 0.00 C ATOM 389 C ILE A 26 -0.358 -8.616 -2.951 1.00 0.00 C ATOM 390 O ILE A 26 -1.383 -9.201 -3.240 1.00 0.00 O ATOM 391 CB ILE A 26 0.982 -8.342 -5.043 1.00 0.00 C ATOM 392 CG1 ILE A 26 1.813 -9.515 -4.489 1.00 0.00 C ATOM 393 CG2 ILE A 26 1.889 -7.365 -5.788 1.00 0.00 C ATOM 394 CD1 ILE A 26 3.104 -9.012 -3.830 1.00 0.00 C ATOM 0 H ILE A 26 2.180 -7.148 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.520 -6.975 -4.319 1.00 0.00 H new ATOM 0 HB ILE A 26 0.236 -8.744 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.222 -10.072 -3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.058 -10.205 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.399 -7.887 -6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.289 -6.553 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.628 -6.956 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.672 -9.860 -3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.704 -8.476 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.855 -8.341 -3.008 1.00 0.00 H new ATOM 406 N TRP A 27 0.243 -8.835 -1.819 1.00 0.00 N ATOM 407 CA TRP A 27 -0.341 -9.817 -0.868 1.00 0.00 C ATOM 408 C TRP A 27 -0.437 -9.211 0.528 1.00 0.00 C ATOM 409 O TRP A 27 0.110 -8.164 0.811 1.00 0.00 O ATOM 410 CB TRP A 27 0.521 -11.078 -0.799 1.00 0.00 C ATOM 411 CG TRP A 27 1.957 -10.740 -1.059 1.00 0.00 C ATOM 412 CD1 TRP A 27 2.616 -9.672 -0.551 1.00 0.00 C ATOM 413 CD2 TRP A 27 2.924 -11.466 -1.871 1.00 0.00 C ATOM 414 NE1 TRP A 27 3.919 -9.690 -1.015 1.00 0.00 N ATOM 415 CE2 TRP A 27 4.159 -10.778 -1.826 1.00 0.00 C ATOM 416 CE3 TRP A 27 2.848 -12.642 -2.640 1.00 0.00 C ATOM 417 CZ2 TRP A 27 5.280 -11.240 -2.517 1.00 0.00 C ATOM 418 CZ3 TRP A 27 3.974 -13.111 -3.336 1.00 0.00 C ATOM 419 CH2 TRP A 27 5.187 -12.410 -3.274 1.00 0.00 C ATOM 0 H TRP A 27 1.104 -8.383 -1.512 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.337 -10.077 -1.226 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.421 -11.542 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.173 -11.805 -1.532 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.194 -8.928 0.108 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.618 -8.983 -0.785 1.00 0.00 H new ATOM 0 HE3 TRP A 27 1.918 -13.188 -2.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.212 -10.697 -2.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.905 -14.016 -3.922 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.050 -12.775 -3.812 1.00 0.00 H new ATOM 430 N THR A 28 -1.139 -9.875 1.402 1.00 0.00 N ATOM 431 CA THR A 28 -1.294 -9.369 2.789 1.00 0.00 C ATOM 432 C THR A 28 -1.683 -10.539 3.696 1.00 0.00 C ATOM 433 O THR A 28 -2.011 -11.610 3.226 1.00 0.00 O ATOM 434 CB THR A 28 -2.396 -8.311 2.804 1.00 0.00 C ATOM 435 OG1 THR A 28 -1.956 -7.165 2.090 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.729 -7.924 4.245 1.00 0.00 C ATOM 0 H THR A 28 -1.616 -10.756 1.210 1.00 0.00 H new ATOM 0 HA THR A 28 -0.363 -8.928 3.144 1.00 0.00 H new ATOM 0 HB THR A 28 -3.291 -8.715 2.331 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.005 -7.259 1.875 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.515 -7.169 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.070 -8.805 4.789 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.839 -7.521 4.729 1.00 0.00 H new ATOM 444 N PHE A 29 -1.655 -10.353 4.986 1.00 0.00 N ATOM 445 CA PHE A 29 -2.033 -11.470 5.897 1.00 0.00 C ATOM 446 C PHE A 29 -3.383 -12.048 5.459 1.00 0.00 C ATOM 447 O PHE A 29 -3.556 -13.247 5.372 1.00 0.00 O ATOM 448 CB PHE A 29 -2.139 -10.947 7.331 1.00 0.00 C ATOM 449 CG PHE A 29 -1.658 -12.009 8.287 1.00 0.00 C ATOM 450 CD1 PHE A 29 -2.325 -13.237 8.362 1.00 0.00 C ATOM 451 CD2 PHE A 29 -0.545 -11.765 9.102 1.00 0.00 C ATOM 452 CE1 PHE A 29 -1.879 -14.223 9.250 1.00 0.00 C ATOM 453 CE2 PHE A 29 -0.100 -12.750 9.991 1.00 0.00 C ATOM 454 CZ PHE A 29 -0.766 -13.979 10.065 1.00 0.00 C ATOM 0 H PHE A 29 -1.389 -9.483 5.447 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.273 -12.250 5.853 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.542 -10.042 7.445 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.171 -10.679 7.557 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.184 -13.424 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.031 -10.817 9.044 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.393 -15.171 9.307 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.757 -12.562 10.620 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.422 -14.739 10.751 1.00 0.00 H new ATOM 464 N ASP A 30 -4.339 -11.201 5.182 1.00 0.00 N ATOM 465 CA ASP A 30 -5.676 -11.697 4.746 1.00 0.00 C ATOM 466 C ASP A 30 -6.070 -11.015 3.432 1.00 0.00 C ATOM 467 O ASP A 30 -6.643 -11.626 2.552 1.00 0.00 O ATOM 468 CB ASP A 30 -6.717 -11.371 5.820 1.00 0.00 C ATOM 469 CG ASP A 30 -7.740 -12.505 5.901 1.00 0.00 C ATOM 470 OD1 ASP A 30 -8.321 -12.826 4.876 1.00 0.00 O ATOM 471 OD2 ASP A 30 -7.927 -13.034 6.984 1.00 0.00 O ATOM 0 H ASP A 30 -4.251 -10.186 5.239 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.632 -12.776 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.229 -11.238 6.786 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.217 -10.432 5.583 1.00 0.00 H new ATOM 476 N ASN A 31 -5.768 -9.751 3.294 1.00 0.00 N ATOM 477 CA ASN A 31 -6.126 -9.027 2.040 1.00 0.00 C ATOM 478 C ASN A 31 -5.147 -9.408 0.926 1.00 0.00 C ATOM 479 O ASN A 31 -4.319 -10.282 1.087 1.00 0.00 O ATOM 480 CB ASN A 31 -6.052 -7.518 2.287 1.00 0.00 C ATOM 481 CG ASN A 31 -7.467 -6.944 2.370 1.00 0.00 C ATOM 482 OD1 ASN A 31 -7.961 -6.306 1.343 1.00 0.00 O flip ATOM 483 ND2 ASN A 31 -8.132 -7.076 3.379 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.288 -9.188 3.997 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.138 -9.301 1.741 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.512 -7.316 3.212 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.498 -7.034 1.482 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.747 -7.574 4.182 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.075 -6.689 3.423 1.00 0.00 H new ATOM 490 N ILE A 32 -5.235 -8.757 -0.203 1.00 0.00 N ATOM 491 CA ILE A 32 -4.308 -9.081 -1.326 1.00 0.00 C ATOM 492 C ILE A 32 -3.414 -7.872 -1.614 1.00 0.00 C ATOM 493 O ILE A 32 -2.231 -7.884 -1.335 1.00 0.00 O ATOM 494 CB ILE A 32 -5.122 -9.428 -2.574 1.00 0.00 C ATOM 495 CG1 ILE A 32 -6.338 -10.267 -2.169 1.00 0.00 C ATOM 496 CG2 ILE A 32 -4.254 -10.230 -3.545 1.00 0.00 C ATOM 497 CD1 ILE A 32 -5.881 -11.436 -1.295 1.00 0.00 C ATOM 0 H ILE A 32 -5.908 -8.015 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.686 -9.933 -1.052 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.454 -8.510 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.054 -9.651 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.848 -10.640 -3.057 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.835 -10.477 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.386 -9.637 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.922 -11.149 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.745 -12.034 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.181 -12.057 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.390 -11.052 -0.401 1.00 0.00 H new ATOM 509 N ILE A 33 -3.966 -6.824 -2.164 1.00 0.00 N ATOM 510 CA ILE A 33 -3.139 -5.616 -2.458 1.00 0.00 C ATOM 511 C ILE A 33 -3.482 -4.520 -1.463 1.00 0.00 C ATOM 512 O ILE A 33 -4.625 -4.337 -1.103 1.00 0.00 O ATOM 513 CB ILE A 33 -3.436 -5.089 -3.861 1.00 0.00 C ATOM 514 CG1 ILE A 33 -3.924 -6.235 -4.737 1.00 0.00 C ATOM 515 CG2 ILE A 33 -2.165 -4.479 -4.456 1.00 0.00 C ATOM 516 CD1 ILE A 33 -2.820 -7.279 -4.866 1.00 0.00 C ATOM 0 H ILE A 33 -4.950 -6.751 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.087 -5.894 -2.386 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.209 -4.322 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.816 -6.685 -4.302 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.203 -5.861 -5.722 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.376 -4.103 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.825 -3.658 -3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.387 -5.241 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.167 -8.100 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.940 -6.824 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.563 -7.660 -3.878 1.00 0.00 H new ATOM 528 N ARG A 34 -2.515 -3.776 -1.024 1.00 0.00 N ATOM 529 CA ARG A 34 -2.836 -2.688 -0.069 1.00 0.00 C ATOM 530 C ARG A 34 -1.922 -1.489 -0.274 1.00 0.00 C ATOM 531 O ARG A 34 -0.739 -1.532 0.003 1.00 0.00 O ATOM 532 CB ARG A 34 -2.695 -3.180 1.360 1.00 0.00 C ATOM 533 CG ARG A 34 -3.394 -2.185 2.279 1.00 0.00 C ATOM 534 CD ARG A 34 -3.848 -2.892 3.557 1.00 0.00 C ATOM 535 NE ARG A 34 -3.904 -1.912 4.677 1.00 0.00 N ATOM 536 CZ ARG A 34 -5.057 -1.531 5.154 1.00 0.00 C ATOM 537 NH1 ARG A 34 -5.950 -2.422 5.495 1.00 0.00 N ATOM 538 NH2 ARG A 34 -5.320 -0.260 5.290 1.00 0.00 N ATOM 0 H ARG A 34 -1.532 -3.870 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.866 -2.383 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.137 -4.171 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.642 -3.270 1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.718 -1.367 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.253 -1.747 1.770 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.829 -3.344 3.406 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.159 -3.700 3.802 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.041 -1.539 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.746 -3.416 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.851 -2.124 5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.624 0.436 5.023 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.222 0.037 5.663 1.00 0.00 H new ATOM 552 N ARG A 35 -2.481 -0.410 -0.730 1.00 0.00 N ATOM 553 CA ARG A 35 -1.684 0.831 -0.936 1.00 0.00 C ATOM 554 C ARG A 35 -1.790 1.696 0.321 1.00 0.00 C ATOM 555 O ARG A 35 -2.850 1.849 0.889 1.00 0.00 O ATOM 556 CB ARG A 35 -2.221 1.602 -2.148 1.00 0.00 C ATOM 557 CG ARG A 35 -2.270 0.670 -3.360 1.00 0.00 C ATOM 558 CD ARG A 35 -3.697 0.612 -3.907 1.00 0.00 C ATOM 559 NE ARG A 35 -3.778 -0.442 -4.958 1.00 0.00 N ATOM 560 CZ ARG A 35 -3.387 -0.191 -6.180 1.00 0.00 C ATOM 561 NH1 ARG A 35 -2.925 0.991 -6.495 1.00 0.00 N ATOM 562 NH2 ARG A 35 -3.451 -1.125 -7.088 1.00 0.00 N ATOM 0 H ARG A 35 -3.468 -0.331 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.641 0.574 -1.122 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.216 1.991 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.582 2.459 -2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.588 1.026 -4.132 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.938 -0.329 -3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.399 0.394 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.979 1.579 -4.323 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.141 -1.366 -4.722 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.868 1.722 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.621 1.182 -7.450 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.806 -2.050 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.146 -0.931 -8.042 1.00 0.00 H new ATOM 576 N GLY A 36 -0.700 2.260 0.765 1.00 0.00 N ATOM 577 CA GLY A 36 -0.750 3.113 1.988 1.00 0.00 C ATOM 578 C GLY A 36 0.444 4.067 2.009 1.00 0.00 C ATOM 579 O GLY A 36 0.969 4.454 0.984 1.00 0.00 O ATOM 0 H GLY A 36 0.221 2.168 0.336 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.680 3.681 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.741 2.486 2.879 1.00 0.00 H new ATOM 583 N CYS A 37 0.871 4.448 3.179 1.00 0.00 N ATOM 584 CA CYS A 37 2.028 5.379 3.299 1.00 0.00 C ATOM 585 C CYS A 37 3.112 4.706 4.134 1.00 0.00 C ATOM 586 O CYS A 37 2.897 4.359 5.278 1.00 0.00 O ATOM 587 CB CYS A 37 1.594 6.671 3.995 1.00 0.00 C ATOM 588 SG CYS A 37 -0.153 7.010 3.654 1.00 0.00 S ATOM 0 H CYS A 37 0.465 4.152 4.066 1.00 0.00 H new ATOM 0 HA CYS A 37 2.405 5.618 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.752 6.584 5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.208 7.503 3.649 1.00 0.00 H new ATOM 593 N GLY A 38 4.267 4.498 3.576 1.00 0.00 N ATOM 594 CA GLY A 38 5.339 3.828 4.345 1.00 0.00 C ATOM 595 C GLY A 38 5.311 2.346 3.999 1.00 0.00 C ATOM 596 O GLY A 38 4.264 1.763 3.807 1.00 0.00 O ATOM 0 H GLY A 38 4.513 4.763 2.622 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.310 4.258 4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.188 3.972 5.415 1.00 0.00 H new ATOM 600 N CYS A 39 6.444 1.731 3.917 1.00 0.00 N ATOM 601 CA CYS A 39 6.468 0.282 3.578 1.00 0.00 C ATOM 602 C CYS A 39 5.745 -0.489 4.685 1.00 0.00 C ATOM 603 O CYS A 39 5.618 -0.016 5.797 1.00 0.00 O ATOM 604 CB CYS A 39 7.914 -0.192 3.467 1.00 0.00 C ATOM 605 SG CYS A 39 8.835 0.912 2.376 1.00 0.00 S ATOM 0 H CYS A 39 7.357 2.161 4.068 1.00 0.00 H new ATOM 0 HA CYS A 39 5.969 0.109 2.624 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.377 -0.213 4.454 1.00 0.00 H new ATOM 0 HB3 CYS A 39 7.944 -1.210 3.079 1.00 0.00 H new ATOM 610 N PHE A 40 5.254 -1.662 4.395 1.00 0.00 N ATOM 611 CA PHE A 40 4.524 -2.434 5.445 1.00 0.00 C ATOM 612 C PHE A 40 5.476 -2.797 6.596 1.00 0.00 C ATOM 613 O PHE A 40 6.660 -2.526 6.549 1.00 0.00 O ATOM 614 CB PHE A 40 3.928 -3.708 4.835 1.00 0.00 C ATOM 615 CG PHE A 40 4.939 -4.407 3.949 1.00 0.00 C ATOM 616 CD1 PHE A 40 6.295 -4.057 3.996 1.00 0.00 C ATOM 617 CD2 PHE A 40 4.514 -5.419 3.081 1.00 0.00 C ATOM 618 CE1 PHE A 40 7.219 -4.710 3.185 1.00 0.00 C ATOM 619 CE2 PHE A 40 5.443 -6.079 2.272 1.00 0.00 C ATOM 620 CZ PHE A 40 6.797 -5.725 2.325 1.00 0.00 C ATOM 0 H PHE A 40 5.324 -2.118 3.485 1.00 0.00 H new ATOM 0 HA PHE A 40 3.717 -1.817 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.608 -4.381 5.630 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.041 -3.457 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.625 -3.276 4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.469 -5.690 3.036 1.00 0.00 H new ATOM 0 HE1 PHE A 40 8.262 -4.431 3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.116 -6.863 1.605 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.514 -6.237 1.701 1.00 0.00 H new ATOM 630 N THR A 41 4.957 -3.364 7.655 1.00 0.00 N ATOM 631 CA THR A 41 5.822 -3.696 8.829 1.00 0.00 C ATOM 632 C THR A 41 6.629 -4.993 8.625 1.00 0.00 C ATOM 633 O THR A 41 7.801 -5.032 8.943 1.00 0.00 O ATOM 634 CB THR A 41 4.948 -3.838 10.079 1.00 0.00 C ATOM 635 OG1 THR A 41 3.941 -2.836 10.066 1.00 0.00 O ATOM 636 CG2 THR A 41 5.815 -3.678 11.329 1.00 0.00 C ATOM 0 H THR A 41 3.973 -3.611 7.758 1.00 0.00 H new ATOM 0 HA THR A 41 6.537 -2.881 8.945 1.00 0.00 H new ATOM 0 HB THR A 41 4.481 -4.823 10.088 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.380 -2.926 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.193 -3.779 12.218 1.00 0.00 H new ATOM 0 HG22 THR A 41 6.587 -4.447 11.337 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.283 -2.694 11.324 1.00 0.00 H new ATOM 644 N PRO A 42 5.985 -6.025 8.142 1.00 0.00 N ATOM 645 CA PRO A 42 6.631 -7.332 7.939 1.00 0.00 C ATOM 646 C PRO A 42 7.397 -7.362 6.615 1.00 0.00 C ATOM 647 O PRO A 42 7.267 -8.279 5.830 1.00 0.00 O ATOM 648 CB PRO A 42 5.452 -8.309 7.921 1.00 0.00 C ATOM 649 CG PRO A 42 4.199 -7.477 7.549 1.00 0.00 C ATOM 650 CD PRO A 42 4.569 -5.994 7.747 1.00 0.00 C ATOM 0 HA PRO A 42 7.367 -7.571 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.619 -9.105 7.196 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.327 -8.785 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.903 -7.666 6.517 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.353 -7.751 8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.424 -5.422 6.831 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.951 -5.529 8.515 1.00 0.00 H new ATOM 658 N ARG A 43 8.197 -6.363 6.364 1.00 0.00 N ATOM 659 CA ARG A 43 8.972 -6.330 5.094 1.00 0.00 C ATOM 660 C ARG A 43 9.961 -7.494 5.056 1.00 0.00 C ATOM 661 O ARG A 43 9.716 -8.551 5.603 1.00 0.00 O ATOM 662 CB ARG A 43 9.737 -5.007 5.005 1.00 0.00 C ATOM 663 CG ARG A 43 10.792 -4.950 6.111 1.00 0.00 C ATOM 664 CD ARG A 43 11.944 -4.042 5.675 1.00 0.00 C ATOM 665 NE ARG A 43 13.026 -4.084 6.699 1.00 0.00 N ATOM 666 CZ ARG A 43 13.944 -3.157 6.717 1.00 0.00 C ATOM 667 NH1 ARG A 43 14.752 -3.019 5.702 1.00 0.00 N ATOM 668 NH2 ARG A 43 14.055 -2.368 7.750 1.00 0.00 N ATOM 0 H ARG A 43 8.347 -5.568 6.985 1.00 0.00 H new ATOM 0 HA ARG A 43 8.287 -6.418 4.251 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.213 -4.915 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.047 -4.169 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.348 -4.574 7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.165 -5.952 6.323 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.331 -4.366 4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.588 -3.020 5.549 1.00 0.00 H new ATOM 0 HE ARG A 43 13.049 -4.838 7.386 1.00 0.00 H new ATOM 0 HH11 ARG A 43 14.666 -3.636 4.894 1.00 0.00 H new ATOM 0 HH12 ARG A 43 15.470 -2.294 5.716 1.00 0.00 H new ATOM 0 HH21 ARG A 43 13.424 -2.476 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.773 -1.643 7.764 1.00 0.00 H new ATOM 682 N GLY A 44 11.077 -7.308 4.406 1.00 0.00 N ATOM 683 CA GLY A 44 12.079 -8.392 4.320 1.00 0.00 C ATOM 684 C GLY A 44 12.359 -8.704 2.848 1.00 0.00 C ATOM 685 O GLY A 44 11.855 -8.046 1.960 1.00 0.00 O ATOM 0 H GLY A 44 11.334 -6.443 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.999 -8.093 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.713 -9.283 4.830 1.00 0.00 H new ATOM 689 N ASP A 45 13.156 -9.699 2.579 1.00 0.00 N ATOM 690 CA ASP A 45 13.463 -10.041 1.162 1.00 0.00 C ATOM 691 C ASP A 45 12.423 -11.034 0.637 1.00 0.00 C ATOM 692 O ASP A 45 12.575 -11.600 -0.428 1.00 0.00 O ATOM 693 CB ASP A 45 14.855 -10.667 1.079 1.00 0.00 C ATOM 694 CG ASP A 45 15.784 -9.742 0.291 1.00 0.00 C ATOM 695 OD1 ASP A 45 15.558 -8.544 0.320 1.00 0.00 O ATOM 696 OD2 ASP A 45 16.706 -10.248 -0.330 1.00 0.00 O ATOM 0 H ASP A 45 13.608 -10.290 3.277 1.00 0.00 H new ATOM 0 HA ASP A 45 13.435 -9.135 0.556 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.252 -10.831 2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.799 -11.642 0.595 1.00 0.00 H new ATOM 701 N MET A 46 11.371 -11.258 1.377 1.00 0.00 N ATOM 702 CA MET A 46 10.332 -12.223 0.918 1.00 0.00 C ATOM 703 C MET A 46 9.303 -11.518 0.023 1.00 0.00 C ATOM 704 O MET A 46 9.022 -11.975 -1.067 1.00 0.00 O ATOM 705 CB MET A 46 9.628 -12.833 2.132 1.00 0.00 C ATOM 706 CG MET A 46 9.880 -14.341 2.164 1.00 0.00 C ATOM 707 SD MET A 46 8.355 -15.216 1.736 1.00 0.00 S ATOM 708 CE MET A 46 8.190 -16.150 3.278 1.00 0.00 C ATOM 0 H MET A 46 11.187 -10.816 2.277 1.00 0.00 H new ATOM 0 HA MET A 46 10.815 -13.012 0.341 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.997 -12.373 3.049 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.558 -12.633 2.083 1.00 0.00 H new ATOM 0 HG2 MET A 46 10.672 -14.603 1.462 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.219 -14.643 3.155 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.296 -16.772 3.233 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.066 -16.784 3.415 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.108 -15.458 4.116 1.00 0.00 H new ATOM 718 N PRO A 47 8.761 -10.432 0.514 1.00 0.00 N ATOM 719 CA PRO A 47 7.750 -9.651 -0.213 1.00 0.00 C ATOM 720 C PRO A 47 8.407 -8.728 -1.241 1.00 0.00 C ATOM 721 O PRO A 47 9.559 -8.358 -1.120 1.00 0.00 O ATOM 722 CB PRO A 47 7.064 -8.841 0.889 1.00 0.00 C ATOM 723 CG PRO A 47 8.065 -8.770 2.069 1.00 0.00 C ATOM 724 CD PRO A 47 9.106 -9.882 1.835 1.00 0.00 C ATOM 0 HA PRO A 47 7.056 -10.275 -0.776 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.810 -7.842 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 47 6.133 -9.316 1.198 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.546 -7.793 2.110 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.553 -8.914 3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.121 -9.485 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.053 -10.646 2.610 1.00 0.00 H new ATOM 732 N GLY A 48 7.671 -8.353 -2.247 1.00 0.00 N ATOM 733 CA GLY A 48 8.220 -7.451 -3.288 1.00 0.00 C ATOM 734 C GLY A 48 7.140 -6.437 -3.671 1.00 0.00 C ATOM 735 O GLY A 48 6.687 -6.407 -4.798 1.00 0.00 O ATOM 0 H GLY A 48 6.702 -8.637 -2.392 1.00 0.00 H new ATOM 0 HA2 GLY A 48 9.106 -6.938 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.528 -8.025 -4.162 1.00 0.00 H new ATOM 739 N PRO A 49 6.753 -5.645 -2.705 1.00 0.00 N ATOM 740 CA PRO A 49 5.711 -4.618 -2.883 1.00 0.00 C ATOM 741 C PRO A 49 6.247 -3.407 -3.635 1.00 0.00 C ATOM 742 O PRO A 49 7.282 -3.456 -4.271 1.00 0.00 O ATOM 743 CB PRO A 49 5.350 -4.220 -1.456 1.00 0.00 C ATOM 744 CG PRO A 49 6.555 -4.602 -0.579 1.00 0.00 C ATOM 745 CD PRO A 49 7.320 -5.698 -1.341 1.00 0.00 C ATOM 0 HA PRO A 49 4.865 -4.988 -3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.146 -3.151 -1.391 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.449 -4.737 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.193 -3.737 -0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.226 -4.964 0.395 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.393 -5.506 -1.347 1.00 0.00 H new ATOM 0 HD3 PRO A 49 7.174 -6.677 -0.885 1.00 0.00 H new ATOM 753 N TYR A 50 5.540 -2.317 -3.561 1.00 0.00 N ATOM 754 CA TYR A 50 5.992 -1.093 -4.261 1.00 0.00 C ATOM 755 C TYR A 50 5.974 0.094 -3.298 1.00 0.00 C ATOM 756 O TYR A 50 5.048 0.883 -3.289 1.00 0.00 O ATOM 757 CB TYR A 50 5.059 -0.805 -5.439 1.00 0.00 C ATOM 758 CG TYR A 50 5.865 -0.273 -6.599 1.00 0.00 C ATOM 759 CD1 TYR A 50 6.854 0.694 -6.379 1.00 0.00 C ATOM 760 CD2 TYR A 50 5.625 -0.747 -7.894 1.00 0.00 C ATOM 761 CE1 TYR A 50 7.602 1.188 -7.455 1.00 0.00 C ATOM 762 CE2 TYR A 50 6.372 -0.254 -8.970 1.00 0.00 C ATOM 763 CZ TYR A 50 7.361 0.713 -8.750 1.00 0.00 C ATOM 764 OH TYR A 50 8.098 1.200 -9.810 1.00 0.00 O ATOM 0 H TYR A 50 4.666 -2.224 -3.043 1.00 0.00 H new ATOM 0 HA TYR A 50 7.008 -1.244 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.535 -1.714 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.300 -0.080 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 50 7.040 1.059 -5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.863 -1.494 -8.063 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.364 1.935 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.186 -0.619 -9.969 1.00 0.00 H new ATOM 0 HH TYR A 50 7.806 0.765 -10.638 1.00 0.00 H new ATOM 774 N CYS A 51 7.001 0.248 -2.504 1.00 0.00 N ATOM 775 CA CYS A 51 7.049 1.413 -1.580 1.00 0.00 C ATOM 776 C CYS A 51 7.404 2.636 -2.413 1.00 0.00 C ATOM 777 O CYS A 51 8.481 2.730 -2.969 1.00 0.00 O ATOM 778 CB CYS A 51 8.130 1.226 -0.534 1.00 0.00 C ATOM 779 SG CYS A 51 7.439 1.593 1.093 1.00 0.00 S ATOM 0 H CYS A 51 7.803 -0.380 -2.457 1.00 0.00 H new ATOM 0 HA CYS A 51 6.088 1.521 -1.077 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.508 0.204 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.974 1.884 -0.742 1.00 0.00 H new ATOM 784 N CYS A 52 6.523 3.569 -2.502 1.00 0.00 N ATOM 785 CA CYS A 52 6.815 4.789 -3.299 1.00 0.00 C ATOM 786 C CYS A 52 7.174 5.904 -2.349 1.00 0.00 C ATOM 787 O CYS A 52 7.034 5.771 -1.159 1.00 0.00 O ATOM 788 CB CYS A 52 5.582 5.233 -4.072 1.00 0.00 C ATOM 789 SG CYS A 52 5.659 4.654 -5.783 1.00 0.00 S ATOM 0 H CYS A 52 5.605 3.548 -2.058 1.00 0.00 H new ATOM 0 HA CYS A 52 7.626 4.567 -3.993 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.685 4.843 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.507 6.320 -4.054 1.00 0.00 H new ATOM 794 N GLU A 53 7.604 7.008 -2.871 1.00 0.00 N ATOM 795 CA GLU A 53 7.938 8.161 -1.997 1.00 0.00 C ATOM 796 C GLU A 53 7.098 9.367 -2.417 1.00 0.00 C ATOM 797 O GLU A 53 6.912 10.300 -1.660 1.00 0.00 O ATOM 798 CB GLU A 53 9.426 8.480 -2.087 1.00 0.00 C ATOM 799 CG GLU A 53 10.226 7.176 -2.027 1.00 0.00 C ATOM 800 CD GLU A 53 11.560 7.362 -2.752 1.00 0.00 C ATOM 801 OE1 GLU A 53 12.331 8.206 -2.327 1.00 0.00 O ATOM 802 OE2 GLU A 53 11.787 6.656 -3.722 1.00 0.00 O ATOM 0 H GLU A 53 7.740 7.166 -3.869 1.00 0.00 H new ATOM 0 HA GLU A 53 7.711 7.912 -0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.641 9.010 -3.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.719 9.138 -1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.400 6.891 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.659 6.367 -2.488 1.00 0.00 H new ATOM 809 N SER A 54 6.566 9.346 -3.609 1.00 0.00 N ATOM 810 CA SER A 54 5.715 10.477 -4.065 1.00 0.00 C ATOM 811 C SER A 54 4.285 10.214 -3.595 1.00 0.00 C ATOM 812 O SER A 54 3.894 9.082 -3.373 1.00 0.00 O ATOM 813 CB SER A 54 5.747 10.567 -5.591 1.00 0.00 C ATOM 814 OG SER A 54 6.334 9.384 -6.119 1.00 0.00 O ATOM 0 H SER A 54 6.685 8.593 -4.286 1.00 0.00 H new ATOM 0 HA SER A 54 6.083 11.416 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.737 10.691 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.318 11.441 -5.903 1.00 0.00 H new ATOM 0 HG SER A 54 6.355 9.438 -7.097 1.00 0.00 H new ATOM 820 N ASP A 55 3.496 11.234 -3.432 1.00 0.00 N ATOM 821 CA ASP A 55 2.109 10.988 -2.960 1.00 0.00 C ATOM 822 C ASP A 55 1.318 10.289 -4.059 1.00 0.00 C ATOM 823 O ASP A 55 1.629 10.381 -5.229 1.00 0.00 O ATOM 824 CB ASP A 55 1.400 12.294 -2.584 1.00 0.00 C ATOM 825 CG ASP A 55 2.405 13.410 -2.333 1.00 0.00 C ATOM 826 OD1 ASP A 55 3.239 13.640 -3.192 1.00 0.00 O ATOM 827 OD2 ASP A 55 2.320 14.021 -1.276 1.00 0.00 O ATOM 0 H ASP A 55 3.743 12.209 -3.601 1.00 0.00 H new ATOM 0 HA ASP A 55 2.163 10.361 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.720 12.586 -3.384 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.794 12.139 -1.692 1.00 0.00 H new ATOM 832 N LYS A 56 0.295 9.585 -3.679 1.00 0.00 N ATOM 833 CA LYS A 56 -0.538 8.864 -4.676 1.00 0.00 C ATOM 834 C LYS A 56 0.358 8.126 -5.676 1.00 0.00 C ATOM 835 O LYS A 56 0.008 7.966 -6.828 1.00 0.00 O ATOM 836 CB LYS A 56 -1.415 9.868 -5.423 1.00 0.00 C ATOM 837 CG LYS A 56 -2.625 10.230 -4.560 1.00 0.00 C ATOM 838 CD LYS A 56 -3.594 11.089 -5.372 1.00 0.00 C ATOM 839 CE LYS A 56 -3.066 12.523 -5.451 1.00 0.00 C ATOM 840 NZ LYS A 56 -4.201 13.477 -5.311 1.00 0.00 N ATOM 0 H LYS A 56 -0.004 9.476 -2.710 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.166 8.138 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.841 10.764 -5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.745 9.444 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.125 9.324 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.302 10.770 -3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.708 10.677 -6.375 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.581 11.079 -4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.332 12.696 -4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.557 12.683 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.843 14.452 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.886 13.317 -6.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.668 13.329 -4.393 1.00 0.00 H new ATOM 854 N CYS A 57 1.515 7.683 -5.257 1.00 0.00 N ATOM 855 CA CYS A 57 2.419 6.973 -6.208 1.00 0.00 C ATOM 856 C CYS A 57 2.079 5.477 -6.278 1.00 0.00 C ATOM 857 O CYS A 57 2.505 4.789 -7.184 1.00 0.00 O ATOM 858 CB CYS A 57 3.865 7.127 -5.745 1.00 0.00 C ATOM 859 SG CYS A 57 4.962 6.215 -6.868 1.00 0.00 S ATOM 0 H CYS A 57 1.870 7.781 -4.306 1.00 0.00 H new ATOM 0 HA CYS A 57 2.286 7.412 -7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.142 8.181 -5.726 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.974 6.751 -4.728 1.00 0.00 H new ATOM 864 N ASN A 58 1.331 4.952 -5.342 1.00 0.00 N ATOM 865 CA ASN A 58 1.010 3.507 -5.398 1.00 0.00 C ATOM 866 C ASN A 58 -0.334 3.300 -6.101 1.00 0.00 C ATOM 867 O ASN A 58 -1.095 2.416 -5.761 1.00 0.00 O ATOM 868 CB ASN A 58 0.958 2.922 -3.982 1.00 0.00 C ATOM 869 CG ASN A 58 0.298 3.906 -3.009 1.00 0.00 C ATOM 870 OD1 ASN A 58 -0.091 4.992 -3.392 1.00 0.00 O ATOM 871 ND2 ASN A 58 0.169 3.573 -1.747 1.00 0.00 N ATOM 0 H ASN A 58 0.935 5.461 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 58 1.789 2.993 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.402 1.985 -3.991 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.967 2.690 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.257 4.225 -1.089 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.495 2.662 -1.424 1.00 0.00 H new ATOM 878 N LEU A 59 -0.628 4.107 -7.085 1.00 0.00 N ATOM 879 CA LEU A 59 -1.916 3.954 -7.815 1.00 0.00 C ATOM 880 C LEU A 59 -1.706 3.056 -9.037 1.00 0.00 C ATOM 881 O LEU A 59 -0.734 3.268 -9.743 1.00 0.00 O ATOM 882 CB LEU A 59 -2.411 5.330 -8.270 1.00 0.00 C ATOM 883 CG LEU A 59 -3.712 5.189 -9.070 1.00 0.00 C ATOM 884 CD1 LEU A 59 -3.389 4.751 -10.499 1.00 0.00 C ATOM 885 CD2 LEU A 59 -4.621 4.145 -8.411 1.00 0.00 C ATOM 886 OXT LEU A 59 -2.523 2.174 -9.246 1.00 0.00 O ATOM 0 H LEU A 59 -0.030 4.865 -7.414 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.657 3.502 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.577 5.970 -7.403 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.650 5.814 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.225 6.151 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.314 4.651 -11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.751 5.497 -10.973 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.871 3.792 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.543 4.051 -8.985 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.110 3.183 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.857 4.458 -7.394 1.00 0.00 H new