USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 75:sc= 0.711 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -1.24 K(o=-0.53,f=-10!) USER MOD Set 2.1: A 23 TYR OH : rot -20:sc= 1.24 USER MOD Set 2.2: A 78 HIS : no HD1:sc= -0.564 K(o=2.2,f=0.66) USER MOD Set 2.3: A 80 TYR OH : rot 106:sc= 1.5 USER MOD Set 3.1: A 61 GLN : amide:sc= -0.883 K(o=-0.92,f=-8.6!) USER MOD Set 3.2: A 69 MET CE :methyl -170:sc= -0.0383 (180deg=-0.129) USER MOD Set 4.1: A 50 LYS NZ :NH3+ 160:sc= 1.25 (180deg=0) USER MOD Set 4.2: A 73 TYR OH : rot -106:sc= 2.18 USER MOD Single : A 1 ALA N :NH3+ 179:sc= 0.405 (180deg=0.259) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot -126:sc= 1.02 USER MOD Single : A 4 ASN : amide:sc= 1.26 K(o=1.3,f=-0.13) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.19) USER MOD Single : A 9 THR OG1 : rot -100:sc= 0.0446 USER MOD Single : A 17 LYS NZ :NH3+ -164:sc= -0.226 (180deg=-0.684) USER MOD Single : A 18 CYS SG : rot 99:sc= -1.46 USER MOD Single : A 27 GLN : amide:sc= 1.1 K(o=1.1,f=-0.36) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc=-0.00829 USER MOD Single : A 46 SER OG : rot 180:sc= 0.385 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0739 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.91! C(o=-1.9!,f=-6.6!) USER MOD Single : A 59 SER OG : rot 48:sc= 0.858 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.271 K(o=0.27,f=-5.2!) USER MOD Single : A 76 THR OG1 : rot -41:sc= 0.585 USER MOD Single : A 82 THR OG1 : rot 14:sc= 0.916 USER MOD Single : A 83 SER OG : rot -1:sc= 0.159 USER MOD Single : A 91 LYS NZ :NH3+ -172:sc= 1.66 (180deg=0.974) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.840 -4.916 1.178 1.00 0.00 N ATOM 2 CA ALA A 1 16.596 -5.068 -0.063 1.00 0.00 C ATOM 3 C ALA A 1 15.732 -5.748 -1.117 1.00 0.00 C ATOM 4 O ALA A 1 15.859 -6.947 -1.334 1.00 0.00 O ATOM 5 CB ALA A 1 17.860 -5.834 0.227 1.00 0.00 C ATOM 0 H1 ALA A 1 16.441 -4.467 1.898 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.004 -4.322 1.005 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.536 -5.851 1.516 1.00 0.00 H new ATOM 0 HA ALA A 1 16.877 -4.094 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.432 -5.953 -0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.457 -5.288 0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.607 -6.816 0.627 1.00 0.00 H new ATOM 12 N THR A 2 14.842 -4.981 -1.746 1.00 0.00 N ATOM 13 CA THR A 2 14.045 -5.436 -2.888 1.00 0.00 C ATOM 14 C THR A 2 13.187 -6.660 -2.545 1.00 0.00 C ATOM 15 O THR A 2 13.511 -7.793 -2.896 1.00 0.00 O ATOM 16 CB THR A 2 14.964 -5.675 -4.103 1.00 0.00 C ATOM 17 OG1 THR A 2 15.707 -4.508 -4.384 1.00 0.00 O ATOM 18 CG2 THR A 2 14.196 -6.042 -5.376 1.00 0.00 C ATOM 0 H THR A 2 14.651 -4.016 -1.475 1.00 0.00 H new ATOM 0 HA THR A 2 13.336 -4.651 -3.151 1.00 0.00 H new ATOM 0 HB THR A 2 15.608 -6.511 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.289 -4.669 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 2 14.900 -6.197 -6.194 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.628 -6.957 -5.207 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.512 -5.233 -5.634 1.00 0.00 H new ATOM 26 N TYR A 3 12.071 -6.422 -1.857 1.00 0.00 N ATOM 27 CA TYR A 3 11.240 -7.480 -1.298 1.00 0.00 C ATOM 28 C TYR A 3 10.053 -7.834 -2.180 1.00 0.00 C ATOM 29 O TYR A 3 9.616 -7.045 -3.015 1.00 0.00 O ATOM 30 CB TYR A 3 10.732 -7.063 0.075 1.00 0.00 C ATOM 31 CG TYR A 3 11.839 -6.679 1.021 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.774 -7.637 1.457 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.944 -5.351 1.456 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.707 -7.295 2.450 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.844 -5.033 2.479 1.00 0.00 C ATOM 36 CZ TYR A 3 13.620 -6.040 3.070 1.00 0.00 C ATOM 37 OH TYR A 3 14.365 -5.761 4.169 1.00 0.00 O ATOM 0 H TYR A 3 11.718 -5.483 -1.672 1.00 0.00 H new ATOM 0 HA TYR A 3 11.869 -8.367 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.049 -6.221 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.159 -7.883 0.509 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.774 -8.629 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.336 -4.580 1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.483 -7.991 2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.941 -4.011 2.814 1.00 0.00 H new ATOM 0 HH TYR A 3 13.780 -5.449 4.890 1.00 0.00 H new ATOM 47 N ASN A 4 9.529 -9.038 -1.945 1.00 0.00 N ATOM 48 CA ASN A 4 8.395 -9.628 -2.627 1.00 0.00 C ATOM 49 C ASN A 4 7.101 -9.121 -2.001 1.00 0.00 C ATOM 50 O ASN A 4 6.594 -9.728 -1.056 1.00 0.00 O ATOM 51 CB ASN A 4 8.513 -11.143 -2.461 1.00 0.00 C ATOM 52 CG ASN A 4 7.462 -11.883 -3.265 1.00 0.00 C ATOM 53 OD1 ASN A 4 7.726 -12.348 -4.370 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.282 -11.991 -2.684 1.00 0.00 N ATOM 0 H ASN A 4 9.913 -9.657 -1.231 1.00 0.00 H new ATOM 0 HA ASN A 4 8.383 -9.360 -3.683 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.505 -11.467 -2.776 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.413 -11.402 -1.407 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.524 -12.484 -3.156 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.128 -11.581 -1.763 1.00 0.00 H new ATOM 61 N VAL A 5 6.567 -8.015 -2.512 1.00 0.00 N ATOM 62 CA VAL A 5 5.322 -7.459 -1.999 1.00 0.00 C ATOM 63 C VAL A 5 4.157 -8.075 -2.759 1.00 0.00 C ATOM 64 O VAL A 5 4.107 -7.944 -3.982 1.00 0.00 O ATOM 65 CB VAL A 5 5.300 -5.932 -2.140 1.00 0.00 C ATOM 66 CG1 VAL A 5 3.976 -5.356 -1.599 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.498 -5.315 -1.412 1.00 0.00 C ATOM 0 H VAL A 5 6.979 -7.487 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 5 5.238 -7.694 -0.938 1.00 0.00 H new ATOM 0 HB VAL A 5 5.372 -5.679 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.980 -4.271 -1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.141 -5.774 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.870 -5.615 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.470 -4.231 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.455 -5.576 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.423 -5.699 -1.843 1.00 0.00 H new ATOM 77 N LYS A 6 3.201 -8.693 -2.056 1.00 0.00 N ATOM 78 CA LYS A 6 1.927 -9.028 -2.663 1.00 0.00 C ATOM 79 C LYS A 6 0.934 -7.892 -2.496 1.00 0.00 C ATOM 80 O LYS A 6 0.711 -7.417 -1.380 1.00 0.00 O ATOM 81 CB LYS A 6 1.356 -10.306 -2.066 1.00 0.00 C ATOM 82 CG LYS A 6 0.052 -10.678 -2.797 1.00 0.00 C ATOM 83 CD LYS A 6 -0.591 -11.933 -2.219 1.00 0.00 C ATOM 84 CE LYS A 6 0.417 -13.082 -2.227 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.245 -14.389 -2.388 1.00 0.00 N ATOM 0 H LYS A 6 3.292 -8.965 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 6 2.101 -9.189 -3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.079 -11.116 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.162 -10.168 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.651 -9.847 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.262 -10.833 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.931 -11.743 -1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.470 -12.204 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.131 -12.934 -3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.985 -13.074 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.475 -15.137 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.857 -14.572 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.821 -14.382 -3.254 1.00 0.00 H new ATOM 99 N LEU A 7 0.278 -7.545 -3.605 1.00 0.00 N ATOM 100 CA LEU A 7 -0.900 -6.708 -3.618 1.00 0.00 C ATOM 101 C LEU A 7 -2.071 -7.574 -4.036 1.00 0.00 C ATOM 102 O LEU A 7 -2.187 -7.890 -5.213 1.00 0.00 O ATOM 103 CB LEU A 7 -0.654 -5.547 -4.587 1.00 0.00 C ATOM 104 CG LEU A 7 0.543 -4.670 -4.199 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.861 -3.702 -5.335 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.312 -3.871 -2.920 1.00 0.00 C ATOM 0 H LEU A 7 0.566 -7.850 -4.535 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.121 -6.281 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.492 -5.947 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.549 -4.927 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 7 1.378 -5.346 -4.015 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.712 -3.080 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.103 -4.265 -6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.005 -3.068 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.196 -3.272 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.548 -3.215 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.123 -4.555 -2.093 1.00 0.00 H new ATOM 118 N ILE A 8 -2.924 -7.977 -3.089 1.00 0.00 N ATOM 119 CA ILE A 8 -4.166 -8.664 -3.390 1.00 0.00 C ATOM 120 C ILE A 8 -5.079 -7.607 -4.000 1.00 0.00 C ATOM 121 O ILE A 8 -5.679 -6.787 -3.303 1.00 0.00 O ATOM 122 CB ILE A 8 -4.723 -9.351 -2.130 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.778 -10.453 -1.626 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.123 -9.934 -2.374 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.888 -10.653 -0.113 1.00 0.00 C ATOM 0 H ILE A 8 -2.764 -7.832 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.047 -9.482 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.800 -8.582 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.010 -11.389 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.751 -10.196 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.483 -10.411 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.806 -9.134 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.075 -10.672 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.203 -11.441 0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.631 -9.724 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.909 -10.936 0.143 1.00 0.00 H new ATOM 137 N THR A 9 -5.095 -7.567 -5.327 1.00 0.00 N ATOM 138 CA THR A 9 -5.980 -6.732 -6.101 1.00 0.00 C ATOM 139 C THR A 9 -7.239 -7.530 -6.447 1.00 0.00 C ATOM 140 O THR A 9 -7.152 -8.755 -6.554 1.00 0.00 O ATOM 141 CB THR A 9 -5.274 -6.367 -7.399 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.832 -7.560 -8.023 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.006 -5.554 -7.170 1.00 0.00 C ATOM 0 H THR A 9 -4.472 -8.134 -5.902 1.00 0.00 H new ATOM 0 HA THR A 9 -6.245 -5.837 -5.537 1.00 0.00 H new ATOM 0 HB THR A 9 -5.988 -5.792 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.877 -7.689 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.544 -5.322 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.256 -4.627 -6.654 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.309 -6.131 -6.562 1.00 0.00 H new ATOM 151 N PRO A 10 -8.363 -6.856 -6.730 1.00 0.00 N ATOM 152 CA PRO A 10 -9.603 -7.480 -7.166 1.00 0.00 C ATOM 153 C PRO A 10 -9.398 -8.389 -8.385 1.00 0.00 C ATOM 154 O PRO A 10 -10.029 -9.435 -8.506 1.00 0.00 O ATOM 155 CB PRO A 10 -10.562 -6.338 -7.477 1.00 0.00 C ATOM 156 CG PRO A 10 -9.991 -5.129 -6.761 1.00 0.00 C ATOM 157 CD PRO A 10 -8.510 -5.419 -6.652 1.00 0.00 C ATOM 0 HA PRO A 10 -10.000 -8.132 -6.388 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.630 -6.163 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.569 -6.564 -7.126 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.176 -4.212 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.444 -4.999 -5.778 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.959 -4.929 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.109 -5.039 -5.712 1.00 0.00 H new ATOM 165 N ASP A 11 -8.484 -7.975 -9.269 1.00 0.00 N ATOM 166 CA ASP A 11 -8.035 -8.670 -10.468 1.00 0.00 C ATOM 167 C ASP A 11 -7.554 -10.079 -10.149 1.00 0.00 C ATOM 168 O ASP A 11 -7.651 -10.983 -10.976 1.00 0.00 O ATOM 169 CB ASP A 11 -6.873 -7.868 -11.064 1.00 0.00 C ATOM 170 CG ASP A 11 -7.377 -6.615 -11.756 1.00 0.00 C ATOM 171 OD1 ASP A 11 -7.707 -5.676 -10.997 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.441 -6.630 -13.003 1.00 0.00 O ATOM 0 H ASP A 11 -8.008 -7.081 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 11 -8.867 -8.752 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.172 -7.595 -10.275 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.327 -8.487 -11.776 1.00 0.00 H new ATOM 177 N GLY A 12 -7.014 -10.239 -8.943 1.00 0.00 N ATOM 178 CA GLY A 12 -6.580 -11.496 -8.393 1.00 0.00 C ATOM 179 C GLY A 12 -5.065 -11.514 -8.217 1.00 0.00 C ATOM 180 O GLY A 12 -4.390 -12.357 -8.800 1.00 0.00 O ATOM 0 H GLY A 12 -6.866 -9.457 -8.306 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.065 -11.664 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.884 -12.311 -9.050 1.00 0.00 H new ATOM 184 N GLU A 13 -4.574 -10.584 -7.386 1.00 0.00 N ATOM 185 CA GLU A 13 -3.212 -10.468 -6.881 1.00 0.00 C ATOM 186 C GLU A 13 -2.194 -10.012 -7.925 1.00 0.00 C ATOM 187 O GLU A 13 -2.220 -10.437 -9.076 1.00 0.00 O ATOM 188 CB GLU A 13 -2.739 -11.774 -6.253 1.00 0.00 C ATOM 189 CG GLU A 13 -3.506 -12.189 -4.997 1.00 0.00 C ATOM 190 CD GLU A 13 -3.286 -13.660 -4.645 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.215 -13.968 -4.070 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.200 -14.457 -4.931 1.00 0.00 O ATOM 0 H GLU A 13 -5.170 -9.839 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.263 -9.686 -6.123 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.822 -12.569 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.682 -11.680 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.192 -11.566 -4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.570 -12.009 -5.147 1.00 0.00 H new ATOM 199 N VAL A 14 -1.242 -9.189 -7.476 1.00 0.00 N ATOM 200 CA VAL A 14 -0.065 -8.800 -8.235 1.00 0.00 C ATOM 201 C VAL A 14 1.135 -8.777 -7.278 1.00 0.00 C ATOM 202 O VAL A 14 1.449 -7.763 -6.656 1.00 0.00 O ATOM 203 CB VAL A 14 -0.303 -7.490 -9.020 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.461 -7.654 -10.007 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.671 -6.290 -8.151 1.00 0.00 C ATOM 0 H VAL A 14 -1.276 -8.767 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 14 0.158 -9.528 -9.015 1.00 0.00 H new ATOM 0 HB VAL A 14 0.652 -7.299 -9.509 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.612 -6.721 -10.549 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.227 -8.450 -10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.370 -7.908 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.820 -5.415 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.590 -6.504 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.134 -6.093 -7.443 1.00 0.00 H new ATOM 215 N GLU A 15 1.784 -9.932 -7.114 1.00 0.00 N ATOM 216 CA GLU A 15 3.083 -10.021 -6.467 1.00 0.00 C ATOM 217 C GLU A 15 4.132 -9.325 -7.322 1.00 0.00 C ATOM 218 O GLU A 15 4.194 -9.540 -8.532 1.00 0.00 O ATOM 219 CB GLU A 15 3.460 -11.487 -6.188 1.00 0.00 C ATOM 220 CG GLU A 15 3.240 -11.788 -4.707 1.00 0.00 C ATOM 221 CD GLU A 15 3.377 -13.265 -4.367 1.00 0.00 C ATOM 222 OE1 GLU A 15 2.446 -14.021 -4.718 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.377 -13.596 -3.697 1.00 0.00 O ATOM 0 H GLU A 15 1.418 -10.830 -7.429 1.00 0.00 H new ATOM 0 HA GLU A 15 3.035 -9.514 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.854 -12.154 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.501 -11.665 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.958 -11.218 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.246 -11.446 -4.417 1.00 0.00 H new ATOM 230 N PHE A 16 4.943 -8.478 -6.689 1.00 0.00 N ATOM 231 CA PHE A 16 5.939 -7.671 -7.373 1.00 0.00 C ATOM 232 C PHE A 16 7.107 -7.318 -6.460 1.00 0.00 C ATOM 233 O PHE A 16 7.045 -7.564 -5.253 1.00 0.00 O ATOM 234 CB PHE A 16 5.275 -6.475 -8.032 1.00 0.00 C ATOM 235 CG PHE A 16 5.133 -5.274 -7.150 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.211 -5.276 -6.096 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.052 -4.223 -7.288 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.191 -4.201 -5.199 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.010 -3.142 -6.410 1.00 0.00 C ATOM 240 CZ PHE A 16 5.055 -3.107 -5.382 1.00 0.00 C ATOM 0 H PHE A 16 4.923 -8.335 -5.679 1.00 0.00 H new ATOM 0 HA PHE A 16 6.389 -8.256 -8.175 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.853 -6.196 -8.913 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.286 -6.772 -8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.522 -6.099 -5.976 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.792 -4.252 -8.074 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.508 -4.212 -4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.713 -2.330 -6.521 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.984 -2.245 -4.735 1.00 0.00 H new ATOM 250 N LYS A 17 8.203 -6.819 -7.045 1.00 0.00 N ATOM 251 CA LYS A 17 9.392 -6.469 -6.286 1.00 0.00 C ATOM 252 C LYS A 17 9.395 -4.984 -5.959 1.00 0.00 C ATOM 253 O LYS A 17 9.326 -4.142 -6.850 1.00 0.00 O ATOM 254 CB LYS A 17 10.675 -6.936 -6.990 1.00 0.00 C ATOM 255 CG LYS A 17 11.333 -8.095 -6.221 1.00 0.00 C ATOM 256 CD LYS A 17 10.427 -9.323 -6.062 1.00 0.00 C ATOM 257 CE LYS A 17 10.571 -10.342 -7.200 1.00 0.00 C ATOM 258 NZ LYS A 17 10.250 -9.759 -8.519 1.00 0.00 N ATOM 0 H LYS A 17 8.283 -6.651 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 17 9.368 -7.004 -5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.442 -7.255 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.374 -6.104 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.245 -8.392 -6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.629 -7.742 -5.233 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.655 -9.813 -5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.389 -8.994 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.591 -10.726 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.913 -11.190 -7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.095 -10.523 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.388 -9.182 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.040 -9.162 -8.836 1.00 0.00 H new ATOM 272 N CYS A 18 9.474 -4.680 -4.664 1.00 0.00 N ATOM 273 CA CYS A 18 9.466 -3.316 -4.169 1.00 0.00 C ATOM 274 C CYS A 18 10.662 -3.072 -3.258 1.00 0.00 C ATOM 275 O CYS A 18 10.883 -3.810 -2.292 1.00 0.00 O ATOM 276 CB CYS A 18 8.146 -3.043 -3.471 1.00 0.00 C ATOM 277 SG CYS A 18 7.909 -1.251 -3.420 1.00 0.00 S ATOM 0 H CYS A 18 9.546 -5.383 -3.929 1.00 0.00 H new ATOM 0 HA CYS A 18 9.558 -2.619 -5.002 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.325 -3.522 -4.005 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.154 -3.456 -2.462 1.00 0.00 H new ATOM 0 HG CYS A 18 7.107 -0.892 -4.378 1.00 0.00 H new ATOM 283 N ASP A 19 11.469 -2.073 -3.608 1.00 0.00 N ATOM 284 CA ASP A 19 12.627 -1.646 -2.856 1.00 0.00 C ATOM 285 C ASP A 19 12.192 -1.006 -1.543 1.00 0.00 C ATOM 286 O ASP A 19 11.235 -0.244 -1.465 1.00 0.00 O ATOM 287 CB ASP A 19 13.486 -0.659 -3.662 1.00 0.00 C ATOM 288 CG ASP A 19 13.626 -1.020 -5.133 1.00 0.00 C ATOM 289 OD1 ASP A 19 12.564 -1.076 -5.798 1.00 0.00 O ATOM 290 OD2 ASP A 19 14.776 -1.222 -5.571 1.00 0.00 O ATOM 0 H ASP A 19 11.322 -1.524 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 19 13.233 -2.527 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.049 0.336 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.479 -0.608 -3.215 1.00 0.00 H new ATOM 295 N ASP A 20 12.981 -1.265 -0.515 1.00 0.00 N ATOM 296 CA ASP A 20 12.899 -0.703 0.822 1.00 0.00 C ATOM 297 C ASP A 20 12.959 0.822 0.784 1.00 0.00 C ATOM 298 O ASP A 20 12.418 1.481 1.668 1.00 0.00 O ATOM 299 CB ASP A 20 13.982 -1.338 1.729 1.00 0.00 C ATOM 300 CG ASP A 20 15.195 -1.912 1.021 1.00 0.00 C ATOM 301 OD1 ASP A 20 14.957 -2.776 0.135 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.324 -1.768 1.517 1.00 0.00 O ATOM 0 H ASP A 20 13.755 -1.924 -0.600 1.00 0.00 H new ATOM 0 HA ASP A 20 11.932 -0.949 1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.324 -0.582 2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.518 -2.133 2.312 1.00 0.00 H new ATOM 307 N ASP A 21 13.567 1.361 -0.271 1.00 0.00 N ATOM 308 CA ASP A 21 13.733 2.780 -0.515 1.00 0.00 C ATOM 309 C ASP A 21 12.823 3.265 -1.656 1.00 0.00 C ATOM 310 O ASP A 21 13.096 4.314 -2.238 1.00 0.00 O ATOM 311 CB ASP A 21 15.216 3.033 -0.834 1.00 0.00 C ATOM 312 CG ASP A 21 16.136 2.981 0.381 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.718 3.476 1.450 1.00 0.00 O ATOM 314 OD2 ASP A 21 17.269 2.484 0.204 1.00 0.00 O ATOM 0 H ASP A 21 13.974 0.787 -1.010 1.00 0.00 H new ATOM 0 HA ASP A 21 13.441 3.346 0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.551 2.293 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.312 4.010 -1.307 1.00 0.00 H new ATOM 319 N VAL A 22 11.736 2.551 -1.991 1.00 0.00 N ATOM 320 CA VAL A 22 10.765 3.028 -2.976 1.00 0.00 C ATOM 321 C VAL A 22 9.339 2.825 -2.468 1.00 0.00 C ATOM 322 O VAL A 22 9.092 2.004 -1.586 1.00 0.00 O ATOM 323 CB VAL A 22 11.009 2.372 -4.349 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.317 1.015 -4.491 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.520 3.260 -5.495 1.00 0.00 C ATOM 0 H VAL A 22 11.512 1.640 -1.590 1.00 0.00 H new ATOM 0 HA VAL A 22 10.900 4.101 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 22 12.089 2.234 -4.406 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.525 0.602 -5.478 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.691 0.334 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.241 1.141 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.709 2.763 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.450 3.439 -5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.051 4.211 -5.470 1.00 0.00 H new ATOM 335 N TYR A 23 8.397 3.590 -3.024 1.00 0.00 N ATOM 336 CA TYR A 23 7.001 3.505 -2.645 1.00 0.00 C ATOM 337 C TYR A 23 6.319 2.301 -3.298 1.00 0.00 C ATOM 338 O TYR A 23 6.598 1.984 -4.457 1.00 0.00 O ATOM 339 CB TYR A 23 6.274 4.804 -3.005 1.00 0.00 C ATOM 340 CG TYR A 23 6.766 6.042 -2.278 1.00 0.00 C ATOM 341 CD1 TYR A 23 6.763 6.074 -0.871 1.00 0.00 C ATOM 342 CD2 TYR A 23 7.094 7.208 -2.997 1.00 0.00 C ATOM 343 CE1 TYR A 23 6.954 7.287 -0.193 1.00 0.00 C ATOM 344 CE2 TYR A 23 7.384 8.401 -2.310 1.00 0.00 C ATOM 345 CZ TYR A 23 7.279 8.450 -0.909 1.00 0.00 C ATOM 346 OH TYR A 23 7.528 9.616 -0.251 1.00 0.00 O ATOM 0 H TYR A 23 8.589 4.282 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 23 6.951 3.365 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.370 4.970 -4.078 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.212 4.677 -2.796 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.613 5.162 -0.312 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.123 7.186 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.851 7.326 0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.688 9.280 -2.859 1.00 0.00 H new ATOM 0 HH TYR A 23 7.140 9.574 0.648 1.00 0.00 H new ATOM 356 N VAL A 24 5.377 1.669 -2.584 1.00 0.00 N ATOM 357 CA VAL A 24 4.540 0.586 -3.112 1.00 0.00 C ATOM 358 C VAL A 24 3.486 1.129 -4.096 1.00 0.00 C ATOM 359 O VAL A 24 2.282 1.001 -3.890 1.00 0.00 O ATOM 360 CB VAL A 24 3.867 -0.194 -1.971 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.425 -1.575 -2.453 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.786 -0.456 -0.781 1.00 0.00 C ATOM 0 H VAL A 24 5.173 1.900 -1.611 1.00 0.00 H new ATOM 0 HA VAL A 24 5.188 -0.100 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 24 3.033 0.437 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.951 -2.112 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.715 -1.464 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.294 -2.135 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.242 -1.010 -0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.647 -1.039 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.126 0.494 -0.368 1.00 0.00 H new ATOM 372 N LEU A 25 3.962 1.733 -5.177 1.00 0.00 N ATOM 373 CA LEU A 25 3.181 2.377 -6.222 1.00 0.00 C ATOM 374 C LEU A 25 4.159 2.665 -7.352 1.00 0.00 C ATOM 375 O LEU A 25 4.043 2.090 -8.431 1.00 0.00 O ATOM 376 CB LEU A 25 2.513 3.653 -5.677 1.00 0.00 C ATOM 377 CG LEU A 25 2.122 4.693 -6.743 1.00 0.00 C ATOM 378 CD1 LEU A 25 1.032 4.164 -7.678 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.623 5.964 -6.053 1.00 0.00 C ATOM 0 H LEU A 25 4.964 1.789 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 25 2.366 1.749 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.618 3.368 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.191 4.123 -4.965 1.00 0.00 H new ATOM 0 HG LEU A 25 3.006 4.908 -7.343 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.784 4.927 -8.416 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.392 3.270 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.143 3.918 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.346 6.702 -6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.754 5.727 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.414 6.370 -5.422 1.00 0.00 H new ATOM 391 N ASP A 26 5.168 3.489 -7.048 1.00 0.00 N ATOM 392 CA ASP A 26 6.166 3.954 -8.013 1.00 0.00 C ATOM 393 C ASP A 26 6.735 2.746 -8.776 1.00 0.00 C ATOM 394 O ASP A 26 6.626 2.652 -9.996 1.00 0.00 O ATOM 395 CB ASP A 26 7.249 4.799 -7.289 1.00 0.00 C ATOM 396 CG ASP A 26 7.255 6.290 -7.656 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.587 6.586 -8.821 1.00 0.00 O ATOM 398 OD2 ASP A 26 6.994 7.135 -6.761 1.00 0.00 O ATOM 0 H ASP A 26 5.315 3.857 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 26 5.712 4.612 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.104 4.705 -6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.229 4.379 -7.516 1.00 0.00 H new ATOM 403 N GLN A 27 7.270 1.764 -8.042 1.00 0.00 N ATOM 404 CA GLN A 27 7.837 0.549 -8.604 1.00 0.00 C ATOM 405 C GLN A 27 6.763 -0.462 -9.048 1.00 0.00 C ATOM 406 O GLN A 27 7.063 -1.424 -9.746 1.00 0.00 O ATOM 407 CB GLN A 27 8.750 -0.025 -7.516 1.00 0.00 C ATOM 408 CG GLN A 27 9.749 -1.069 -8.007 1.00 0.00 C ATOM 409 CD GLN A 27 10.863 -0.449 -8.847 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.714 -0.268 -10.049 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.988 -0.108 -8.229 1.00 0.00 N ATOM 0 H GLN A 27 7.318 1.799 -7.024 1.00 0.00 H new ATOM 0 HA GLN A 27 8.391 0.769 -9.516 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.300 0.794 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.130 -0.472 -6.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.185 -1.583 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.226 -1.821 -8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.088 -0.269 -7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.752 0.315 -8.757 1.00 0.00 H new ATOM 420 N ALA A 28 5.507 -0.277 -8.638 1.00 0.00 N ATOM 421 CA ALA A 28 4.409 -1.155 -9.018 1.00 0.00 C ATOM 422 C ALA A 28 4.021 -0.852 -10.461 1.00 0.00 C ATOM 423 O ALA A 28 3.940 -1.756 -11.296 1.00 0.00 O ATOM 424 CB ALA A 28 3.244 -0.937 -8.049 1.00 0.00 C ATOM 0 H ALA A 28 5.226 0.492 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 28 4.700 -2.204 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.415 -1.590 -8.324 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.567 -1.168 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.919 0.102 -8.098 1.00 0.00 H new ATOM 430 N GLU A 29 3.804 0.431 -10.763 1.00 0.00 N ATOM 431 CA GLU A 29 3.496 0.872 -12.111 1.00 0.00 C ATOM 432 C GLU A 29 4.559 0.363 -13.090 1.00 0.00 C ATOM 433 O GLU A 29 4.212 -0.097 -14.174 1.00 0.00 O ATOM 434 CB GLU A 29 3.358 2.397 -12.153 1.00 0.00 C ATOM 435 CG GLU A 29 2.120 2.855 -11.371 1.00 0.00 C ATOM 436 CD GLU A 29 1.957 4.367 -11.441 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.384 4.828 -12.451 1.00 0.00 O ATOM 438 OE2 GLU A 29 2.424 5.035 -10.494 1.00 0.00 O ATOM 0 H GLU A 29 3.838 1.185 -10.077 1.00 0.00 H new ATOM 0 HA GLU A 29 2.539 0.450 -12.419 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.251 2.859 -11.732 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.284 2.731 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.231 2.371 -11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.207 2.543 -10.330 1.00 0.00 H new ATOM 445 N GLU A 30 5.834 0.365 -12.681 1.00 0.00 N ATOM 446 CA GLU A 30 6.919 -0.233 -13.461 1.00 0.00 C ATOM 447 C GLU A 30 6.636 -1.677 -13.892 1.00 0.00 C ATOM 448 O GLU A 30 6.968 -2.060 -15.013 1.00 0.00 O ATOM 449 CB GLU A 30 8.260 -0.101 -12.726 1.00 0.00 C ATOM 450 CG GLU A 30 8.705 1.363 -12.557 1.00 0.00 C ATOM 451 CD GLU A 30 9.403 1.914 -13.798 1.00 0.00 C ATOM 452 OE1 GLU A 30 8.712 2.073 -14.827 1.00 0.00 O ATOM 453 OE2 GLU A 30 10.624 2.165 -13.701 1.00 0.00 O ATOM 0 H GLU A 30 6.140 0.781 -11.801 1.00 0.00 H new ATOM 0 HA GLU A 30 6.985 0.335 -14.389 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.178 -0.567 -11.744 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.026 -0.648 -13.276 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.835 1.979 -12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.379 1.437 -11.703 1.00 0.00 H new ATOM 460 N GLU A 31 6.017 -2.484 -13.029 1.00 0.00 N ATOM 461 CA GLU A 31 5.686 -3.870 -13.358 1.00 0.00 C ATOM 462 C GLU A 31 4.379 -3.911 -14.154 1.00 0.00 C ATOM 463 O GLU A 31 4.117 -4.856 -14.896 1.00 0.00 O ATOM 464 CB GLU A 31 5.594 -4.712 -12.077 1.00 0.00 C ATOM 465 CG GLU A 31 6.796 -4.443 -11.154 1.00 0.00 C ATOM 466 CD GLU A 31 7.634 -5.693 -10.820 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.844 -6.506 -11.745 1.00 0.00 O ATOM 468 OE2 GLU A 31 8.039 -5.857 -9.642 1.00 0.00 O ATOM 0 H GLU A 31 5.734 -2.199 -12.092 1.00 0.00 H new ATOM 0 HA GLU A 31 6.475 -4.298 -13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.668 -4.481 -11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.558 -5.770 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.442 -3.703 -11.625 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.434 -4.004 -10.224 1.00 0.00 H new ATOM 475 N GLY A 32 3.564 -2.869 -13.980 1.00 0.00 N ATOM 476 CA GLY A 32 2.317 -2.627 -14.693 1.00 0.00 C ATOM 477 C GLY A 32 1.138 -2.504 -13.731 1.00 0.00 C ATOM 478 O GLY A 32 -0.011 -2.617 -14.152 1.00 0.00 O ATOM 0 H GLY A 32 3.770 -2.136 -13.302 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.404 -1.714 -15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.133 -3.442 -15.394 1.00 0.00 H new ATOM 482 N ILE A 33 1.402 -2.315 -12.435 1.00 0.00 N ATOM 483 CA ILE A 33 0.355 -2.396 -11.424 1.00 0.00 C ATOM 484 C ILE A 33 -0.469 -1.110 -11.332 1.00 0.00 C ATOM 485 O ILE A 33 -0.023 -0.105 -10.781 1.00 0.00 O ATOM 486 CB ILE A 33 0.971 -2.777 -10.077 1.00 0.00 C ATOM 487 CG1 ILE A 33 1.643 -4.144 -10.257 1.00 0.00 C ATOM 488 CG2 ILE A 33 -0.104 -2.768 -8.982 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.432 -4.670 -9.068 1.00 0.00 C ATOM 0 H ILE A 33 2.330 -2.106 -12.066 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.347 -3.175 -11.722 1.00 0.00 H new ATOM 0 HB ILE A 33 1.724 -2.057 -9.755 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.872 -4.874 -10.506 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.314 -4.085 -11.114 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.346 -3.041 -8.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.538 -1.771 -8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.885 -3.486 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.859 -5.642 -9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.234 -3.972 -8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.769 -4.773 -8.209 1.00 0.00 H new ATOM 501 N ASP A 34 -1.713 -1.186 -11.803 1.00 0.00 N ATOM 502 CA ASP A 34 -2.683 -0.103 -11.729 1.00 0.00 C ATOM 503 C ASP A 34 -3.315 -0.046 -10.333 1.00 0.00 C ATOM 504 O ASP A 34 -4.454 -0.471 -10.135 1.00 0.00 O ATOM 505 CB ASP A 34 -3.744 -0.336 -12.811 1.00 0.00 C ATOM 506 CG ASP A 34 -4.718 0.829 -12.954 1.00 0.00 C ATOM 507 OD1 ASP A 34 -4.466 1.880 -12.329 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.688 0.655 -13.724 1.00 0.00 O ATOM 0 H ASP A 34 -2.079 -2.023 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.194 0.856 -11.901 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.248 -0.507 -13.767 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.302 -1.242 -12.575 1.00 0.00 H new ATOM 513 N ILE A 35 -2.567 0.412 -9.323 1.00 0.00 N ATOM 514 CA ILE A 35 -3.138 0.577 -7.990 1.00 0.00 C ATOM 515 C ILE A 35 -4.165 1.724 -8.005 1.00 0.00 C ATOM 516 O ILE A 35 -4.072 2.632 -8.831 1.00 0.00 O ATOM 517 CB ILE A 35 -2.016 0.765 -6.940 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.915 -0.372 -5.918 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.946 2.166 -6.311 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.522 -0.444 -5.282 1.00 0.00 C ATOM 0 H ILE A 35 -1.583 0.670 -9.404 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.675 -0.325 -7.697 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.104 0.694 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.663 -0.228 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.141 -1.320 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.130 2.200 -5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.771 2.907 -7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.887 2.386 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.492 -1.263 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.224 -0.615 -6.058 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.306 0.495 -4.772 1.00 0.00 H new ATOM 532 N PRO A 36 -5.124 1.729 -7.068 1.00 0.00 N ATOM 533 CA PRO A 36 -6.141 2.758 -6.952 1.00 0.00 C ATOM 534 C PRO A 36 -5.527 4.013 -6.324 1.00 0.00 C ATOM 535 O PRO A 36 -5.792 4.349 -5.172 1.00 0.00 O ATOM 536 CB PRO A 36 -7.247 2.128 -6.106 1.00 0.00 C ATOM 537 CG PRO A 36 -6.520 1.097 -5.246 1.00 0.00 C ATOM 538 CD PRO A 36 -5.238 0.762 -6.001 1.00 0.00 C ATOM 0 HA PRO A 36 -6.550 3.085 -7.908 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.752 2.874 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.008 1.660 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.299 1.498 -4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.132 0.207 -5.100 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.374 0.812 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.276 -0.252 -6.399 1.00 0.00 H new ATOM 546 N TYR A 37 -4.683 4.679 -7.108 1.00 0.00 N ATOM 547 CA TYR A 37 -4.010 5.930 -6.797 1.00 0.00 C ATOM 548 C TYR A 37 -4.844 7.092 -7.344 1.00 0.00 C ATOM 549 O TYR A 37 -5.507 6.938 -8.370 1.00 0.00 O ATOM 550 CB TYR A 37 -2.610 5.869 -7.440 1.00 0.00 C ATOM 551 CG TYR A 37 -2.058 7.170 -7.991 1.00 0.00 C ATOM 552 CD1 TYR A 37 -2.479 7.635 -9.253 1.00 0.00 C ATOM 553 CD2 TYR A 37 -1.073 7.879 -7.285 1.00 0.00 C ATOM 554 CE1 TYR A 37 -1.974 8.841 -9.766 1.00 0.00 C ATOM 555 CE2 TYR A 37 -0.477 9.012 -7.863 1.00 0.00 C ATOM 556 CZ TYR A 37 -0.962 9.523 -9.076 1.00 0.00 C ATOM 557 OH TYR A 37 -0.453 10.683 -9.580 1.00 0.00 O ATOM 0 H TYR A 37 -4.438 4.334 -8.036 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.902 6.083 -5.723 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.910 5.490 -6.696 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.639 5.141 -8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.192 7.062 -9.827 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.774 7.554 -6.299 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -2.364 9.242 -10.690 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.357 9.491 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 37 0.239 11.026 -8.977 1.00 0.00 H new ATOM 567 N SER A 38 -4.760 8.260 -6.697 1.00 0.00 N ATOM 568 CA SER A 38 -5.356 9.503 -7.188 1.00 0.00 C ATOM 569 C SER A 38 -4.354 10.669 -7.226 1.00 0.00 C ATOM 570 O SER A 38 -4.578 11.624 -7.967 1.00 0.00 O ATOM 571 CB SER A 38 -6.589 9.860 -6.347 1.00 0.00 C ATOM 572 OG SER A 38 -7.510 8.783 -6.334 1.00 0.00 O ATOM 0 H SER A 38 -4.271 8.368 -5.809 1.00 0.00 H new ATOM 0 HA SER A 38 -5.663 9.333 -8.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.285 10.098 -5.328 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.068 10.751 -6.753 1.00 0.00 H new ATOM 0 HG SER A 38 -8.290 9.026 -5.792 1.00 0.00 H new ATOM 578 N CYS A 39 -3.274 10.613 -6.438 1.00 0.00 N ATOM 579 CA CYS A 39 -2.319 11.691 -6.206 1.00 0.00 C ATOM 580 C CYS A 39 -1.111 11.094 -5.485 1.00 0.00 C ATOM 581 O CYS A 39 -1.184 9.949 -5.054 1.00 0.00 O ATOM 582 CB CYS A 39 -2.936 12.803 -5.381 1.00 0.00 C ATOM 583 SG CYS A 39 -2.322 13.038 -3.681 1.00 0.00 S ATOM 0 H CYS A 39 -3.034 9.768 -5.920 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.018 12.131 -7.157 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.794 13.739 -5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.010 12.625 -5.328 1.00 0.00 H new ATOM 588 N ARG A 40 -0.016 11.848 -5.337 1.00 0.00 N ATOM 589 CA ARG A 40 1.041 11.496 -4.397 1.00 0.00 C ATOM 590 C ARG A 40 1.467 12.747 -3.617 1.00 0.00 C ATOM 591 O ARG A 40 2.433 13.412 -3.986 1.00 0.00 O ATOM 592 CB ARG A 40 2.194 10.791 -5.134 1.00 0.00 C ATOM 593 CG ARG A 40 3.197 10.167 -4.151 1.00 0.00 C ATOM 594 CD ARG A 40 4.578 10.827 -4.202 1.00 0.00 C ATOM 595 NE ARG A 40 5.444 10.153 -5.187 1.00 0.00 N ATOM 596 CZ ARG A 40 6.700 10.515 -5.480 1.00 0.00 C ATOM 597 NH1 ARG A 40 7.169 11.680 -5.011 1.00 0.00 N ATOM 598 NH2 ARG A 40 7.475 9.716 -6.224 1.00 0.00 N ATOM 0 H ARG A 40 0.157 12.707 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 40 0.680 10.779 -3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.790 10.015 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 40 2.709 11.507 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.801 10.245 -3.139 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.300 9.105 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.473 11.880 -4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 40 5.042 10.788 -3.216 1.00 0.00 H new ATOM 0 HE ARG A 40 5.057 9.350 -5.683 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.572 12.277 -4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.123 11.969 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.109 8.829 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.431 9.995 -6.445 1.00 0.00 H new ATOM 612 N ALA A 41 0.727 13.063 -2.547 1.00 0.00 N ATOM 613 CA ALA A 41 0.988 14.171 -1.626 1.00 0.00 C ATOM 614 C ALA A 41 0.900 13.720 -0.162 1.00 0.00 C ATOM 615 O ALA A 41 1.774 14.043 0.637 1.00 0.00 O ATOM 616 CB ALA A 41 0.004 15.311 -1.898 1.00 0.00 C ATOM 0 H ALA A 41 -0.104 12.530 -2.291 1.00 0.00 H new ATOM 0 HA ALA A 41 2.005 14.525 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.201 16.134 -1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.124 15.659 -2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.016 14.954 -1.753 1.00 0.00 H new ATOM 622 N GLY A 42 -0.161 12.987 0.194 1.00 0.00 N ATOM 623 CA GLY A 42 -0.321 12.358 1.501 1.00 0.00 C ATOM 624 C GLY A 42 -1.215 13.182 2.425 1.00 0.00 C ATOM 625 O GLY A 42 -0.883 13.360 3.594 1.00 0.00 O ATOM 0 H GLY A 42 -0.946 12.814 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.748 11.363 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.657 12.228 1.964 1.00 0.00 H new ATOM 629 N SER A 43 -2.363 13.655 1.929 1.00 0.00 N ATOM 630 CA SER A 43 -3.348 14.383 2.724 1.00 0.00 C ATOM 631 C SER A 43 -4.710 14.188 2.062 1.00 0.00 C ATOM 632 O SER A 43 -5.257 15.107 1.452 1.00 0.00 O ATOM 633 CB SER A 43 -2.948 15.859 2.856 1.00 0.00 C ATOM 634 OG SER A 43 -3.749 16.499 3.833 1.00 0.00 O ATOM 0 H SER A 43 -2.634 13.540 0.952 1.00 0.00 H new ATOM 0 HA SER A 43 -3.397 14.000 3.743 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.896 15.935 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.063 16.361 1.896 1.00 0.00 H new ATOM 0 HG SER A 43 -3.483 17.439 3.909 1.00 0.00 H new ATOM 640 N CYS A 44 -5.204 12.952 2.143 1.00 0.00 N ATOM 641 CA CYS A 44 -6.277 12.435 1.309 1.00 0.00 C ATOM 642 C CYS A 44 -7.331 11.753 2.178 1.00 0.00 C ATOM 643 O CYS A 44 -7.273 11.788 3.407 1.00 0.00 O ATOM 644 CB CYS A 44 -5.655 11.547 0.247 1.00 0.00 C ATOM 645 SG CYS A 44 -4.959 12.612 -1.040 1.00 0.00 S ATOM 0 H CYS A 44 -4.854 12.266 2.813 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.814 13.229 0.789 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.878 10.919 0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.404 10.878 -0.177 1.00 0.00 H new ATOM 650 N SER A 45 -8.340 11.171 1.537 1.00 0.00 N ATOM 651 CA SER A 45 -9.354 10.357 2.190 1.00 0.00 C ATOM 652 C SER A 45 -9.730 9.238 1.227 1.00 0.00 C ATOM 653 O SER A 45 -10.900 9.038 0.912 1.00 0.00 O ATOM 654 CB SER A 45 -10.546 11.226 2.604 1.00 0.00 C ATOM 655 OG SER A 45 -10.095 12.304 3.405 1.00 0.00 O ATOM 0 H SER A 45 -8.476 11.255 0.530 1.00 0.00 H new ATOM 0 HA SER A 45 -8.981 9.911 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.056 11.606 1.719 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.270 10.628 3.157 1.00 0.00 H new ATOM 0 HG SER A 45 -10.859 12.859 3.667 1.00 0.00 H new ATOM 661 N SER A 46 -8.704 8.558 0.714 1.00 0.00 N ATOM 662 CA SER A 46 -8.805 7.505 -0.279 1.00 0.00 C ATOM 663 C SER A 46 -7.533 6.659 -0.175 1.00 0.00 C ATOM 664 O SER A 46 -6.927 6.600 0.893 1.00 0.00 O ATOM 665 CB SER A 46 -8.992 8.140 -1.671 1.00 0.00 C ATOM 666 OG SER A 46 -9.210 7.166 -2.680 1.00 0.00 O ATOM 0 H SER A 46 -7.741 8.739 0.996 1.00 0.00 H new ATOM 0 HA SER A 46 -9.666 6.858 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.837 8.828 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.109 8.729 -1.921 1.00 0.00 H new ATOM 0 HG SER A 46 -9.325 7.611 -3.545 1.00 0.00 H new ATOM 672 N CYS A 47 -7.139 6.030 -1.282 1.00 0.00 N ATOM 673 CA CYS A 47 -5.830 5.428 -1.489 1.00 0.00 C ATOM 674 C CYS A 47 -5.321 4.591 -0.309 1.00 0.00 C ATOM 675 O CYS A 47 -4.322 4.906 0.334 1.00 0.00 O ATOM 676 CB CYS A 47 -4.851 6.479 -1.945 1.00 0.00 C ATOM 677 SG CYS A 47 -4.416 7.830 -0.809 1.00 0.00 S ATOM 0 H CYS A 47 -7.752 5.924 -2.090 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.937 4.690 -2.284 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.927 5.971 -2.221 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.251 6.929 -2.854 1.00 0.00 H new ATOM 682 N ALA A 48 -5.930 3.424 -0.086 1.00 0.00 N ATOM 683 CA ALA A 48 -5.481 2.535 0.973 1.00 0.00 C ATOM 684 C ALA A 48 -5.586 1.069 0.582 1.00 0.00 C ATOM 685 O ALA A 48 -6.237 0.713 -0.405 1.00 0.00 O ATOM 686 CB ALA A 48 -6.267 2.842 2.245 1.00 0.00 C ATOM 0 H ALA A 48 -6.727 3.080 -0.622 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.421 2.715 1.154 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.937 2.180 3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.096 3.878 2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.330 2.688 2.062 1.00 0.00 H new ATOM 692 N GLY A 49 -4.926 0.232 1.385 1.00 0.00 N ATOM 693 CA GLY A 49 -4.942 -1.211 1.304 1.00 0.00 C ATOM 694 C GLY A 49 -4.928 -1.816 2.703 1.00 0.00 C ATOM 695 O GLY A 49 -4.626 -1.115 3.666 1.00 0.00 O ATOM 0 H GLY A 49 -4.338 0.571 2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.830 -1.543 0.765 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.077 -1.561 0.740 1.00 0.00 H new ATOM 699 N LYS A 50 -5.258 -3.106 2.815 1.00 0.00 N ATOM 700 CA LYS A 50 -5.299 -3.862 4.047 1.00 0.00 C ATOM 701 C LYS A 50 -4.021 -4.678 4.216 1.00 0.00 C ATOM 702 O LYS A 50 -3.811 -5.629 3.473 1.00 0.00 O ATOM 703 CB LYS A 50 -6.532 -4.761 3.999 1.00 0.00 C ATOM 704 CG LYS A 50 -7.064 -5.072 5.398 1.00 0.00 C ATOM 705 CD LYS A 50 -8.535 -5.455 5.265 1.00 0.00 C ATOM 706 CE LYS A 50 -9.234 -5.351 6.626 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.701 -5.249 6.455 1.00 0.00 N ATOM 0 H LYS A 50 -5.514 -3.668 2.004 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.364 -3.194 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.313 -4.276 3.413 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.283 -5.692 3.490 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.497 -5.886 5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.953 -4.206 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.025 -4.800 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.620 -6.471 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.993 -6.225 7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.864 -4.478 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.173 -5.516 7.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.955 -4.271 6.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.007 -5.888 5.694 1.00 0.00 H new ATOM 721 N VAL A 51 -3.164 -4.321 5.169 1.00 0.00 N ATOM 722 CA VAL A 51 -2.004 -5.112 5.547 1.00 0.00 C ATOM 723 C VAL A 51 -2.476 -6.500 5.993 1.00 0.00 C ATOM 724 O VAL A 51 -3.159 -6.623 7.007 1.00 0.00 O ATOM 725 CB VAL A 51 -1.247 -4.404 6.691 1.00 0.00 C ATOM 726 CG1 VAL A 51 -0.011 -5.201 7.128 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.814 -2.985 6.300 1.00 0.00 C ATOM 0 H VAL A 51 -3.261 -3.460 5.707 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.328 -5.218 4.699 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.947 -4.342 7.524 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.497 -4.672 7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.318 -6.187 7.477 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.668 -5.311 6.283 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.285 -2.523 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.155 -3.032 5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.694 -2.391 6.055 1.00 0.00 H new ATOM 737 N VAL A 52 -2.103 -7.543 5.250 1.00 0.00 N ATOM 738 CA VAL A 52 -2.376 -8.924 5.620 1.00 0.00 C ATOM 739 C VAL A 52 -1.235 -9.455 6.488 1.00 0.00 C ATOM 740 O VAL A 52 -1.485 -10.081 7.515 1.00 0.00 O ATOM 741 CB VAL A 52 -2.552 -9.769 4.352 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.745 -11.261 4.657 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.742 -9.268 3.528 1.00 0.00 C ATOM 0 H VAL A 52 -1.599 -7.448 4.368 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.298 -8.981 6.198 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.630 -9.659 3.782 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.865 -11.811 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.873 -11.639 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.634 -11.394 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.849 -9.881 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.652 -9.335 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.573 -8.231 3.239 1.00 0.00 H new ATOM 753 N SER A 53 0.020 -9.250 6.068 1.00 0.00 N ATOM 754 CA SER A 53 1.181 -9.737 6.805 1.00 0.00 C ATOM 755 C SER A 53 2.432 -8.980 6.377 1.00 0.00 C ATOM 756 O SER A 53 2.383 -8.203 5.427 1.00 0.00 O ATOM 757 CB SER A 53 1.363 -11.243 6.589 1.00 0.00 C ATOM 758 OG SER A 53 2.327 -11.746 7.497 1.00 0.00 O ATOM 0 H SER A 53 0.253 -8.745 5.213 1.00 0.00 H new ATOM 0 HA SER A 53 1.016 -9.562 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.413 -11.757 6.732 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.680 -11.437 5.564 1.00 0.00 H new ATOM 0 HG SER A 53 2.438 -12.709 7.356 1.00 0.00 H new ATOM 764 N GLY A 54 3.547 -9.240 7.062 1.00 0.00 N ATOM 765 CA GLY A 54 4.772 -8.457 6.970 1.00 0.00 C ATOM 766 C GLY A 54 4.620 -7.126 7.705 1.00 0.00 C ATOM 767 O GLY A 54 3.586 -6.869 8.321 1.00 0.00 O ATOM 0 H GLY A 54 3.621 -10.022 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.602 -9.020 7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.015 -8.274 5.923 1.00 0.00 H new ATOM 771 N SER A 55 5.651 -6.278 7.639 1.00 0.00 N ATOM 772 CA SER A 55 5.637 -4.938 8.207 1.00 0.00 C ATOM 773 C SER A 55 6.234 -3.992 7.173 1.00 0.00 C ATOM 774 O SER A 55 7.088 -4.408 6.384 1.00 0.00 O ATOM 775 CB SER A 55 6.455 -4.885 9.502 1.00 0.00 C ATOM 776 OG SER A 55 6.221 -6.027 10.304 1.00 0.00 O ATOM 0 H SER A 55 6.531 -6.513 7.180 1.00 0.00 H new ATOM 0 HA SER A 55 4.615 -4.648 8.452 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.516 -4.818 9.262 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.197 -3.986 10.061 1.00 0.00 H new ATOM 0 HG SER A 55 6.757 -5.967 11.122 1.00 0.00 H new ATOM 782 N ILE A 56 5.777 -2.740 7.178 1.00 0.00 N ATOM 783 CA ILE A 56 6.155 -1.689 6.255 1.00 0.00 C ATOM 784 C ILE A 56 6.103 -0.370 7.015 1.00 0.00 C ATOM 785 O ILE A 56 5.506 -0.322 8.093 1.00 0.00 O ATOM 786 CB ILE A 56 5.192 -1.681 5.057 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.734 -1.424 5.468 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.297 -3.013 4.313 1.00 0.00 C ATOM 789 CD1 ILE A 56 2.789 -1.351 4.269 1.00 0.00 C ATOM 0 H ILE A 56 5.096 -2.422 7.867 1.00 0.00 H new ATOM 0 HA ILE A 56 7.161 -1.848 5.866 1.00 0.00 H new ATOM 0 HB ILE A 56 5.487 -0.858 4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.404 -2.218 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.677 -0.490 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.615 -3.010 3.463 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.318 -3.152 3.958 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.033 -3.828 4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.773 -1.168 4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.099 -0.539 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.821 -2.294 3.723 1.00 0.00 H new ATOM 801 N ASP A 57 6.697 0.682 6.451 1.00 0.00 N ATOM 802 CA ASP A 57 6.734 2.003 7.047 1.00 0.00 C ATOM 803 C ASP A 57 6.034 2.982 6.112 1.00 0.00 C ATOM 804 O ASP A 57 6.505 3.223 5.002 1.00 0.00 O ATOM 805 CB ASP A 57 8.191 2.417 7.278 1.00 0.00 C ATOM 806 CG ASP A 57 8.279 3.842 7.803 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.221 4.350 8.236 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.400 4.387 7.759 1.00 0.00 O ATOM 0 H ASP A 57 7.173 0.631 5.550 1.00 0.00 H new ATOM 0 HA ASP A 57 6.221 2.002 8.009 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.658 1.735 7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.748 2.335 6.345 1.00 0.00 H new ATOM 813 N GLN A 58 4.896 3.523 6.549 1.00 0.00 N ATOM 814 CA GLN A 58 4.215 4.615 5.883 1.00 0.00 C ATOM 815 C GLN A 58 4.291 5.902 6.717 1.00 0.00 C ATOM 816 O GLN A 58 3.348 6.680 6.656 1.00 0.00 O ATOM 817 CB GLN A 58 2.766 4.178 5.601 1.00 0.00 C ATOM 818 CG GLN A 58 2.128 3.600 6.860 1.00 0.00 C ATOM 819 CD GLN A 58 0.610 3.503 6.781 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.063 4.076 5.926 1.00 0.00 O ATOM 821 NE2 GLN A 58 0.061 2.719 7.692 1.00 0.00 N ATOM 0 H GLN A 58 4.419 3.203 7.392 1.00 0.00 H new ATOM 0 HA GLN A 58 4.702 4.845 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.185 5.031 5.250 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.753 3.434 4.805 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.539 2.607 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.401 4.220 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.647 2.258 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.949 2.575 7.699 1.00 0.00 H new ATOM 830 N SER A 59 5.352 6.160 7.500 1.00 0.00 N ATOM 831 CA SER A 59 5.448 7.365 8.332 1.00 0.00 C ATOM 832 C SER A 59 5.747 8.606 7.479 1.00 0.00 C ATOM 833 O SER A 59 6.816 9.208 7.591 1.00 0.00 O ATOM 834 CB SER A 59 6.468 7.171 9.469 1.00 0.00 C ATOM 835 OG SER A 59 7.809 7.206 9.024 1.00 0.00 O ATOM 0 H SER A 59 6.160 5.542 7.572 1.00 0.00 H new ATOM 0 HA SER A 59 4.479 7.535 8.802 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.320 7.949 10.218 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.279 6.216 9.959 1.00 0.00 H new ATOM 0 HG SER A 59 7.939 7.981 8.439 1.00 0.00 H new ATOM 841 N ASP A 60 4.803 8.960 6.611 1.00 0.00 N ATOM 842 CA ASP A 60 4.993 9.908 5.516 1.00 0.00 C ATOM 843 C ASP A 60 3.660 10.564 5.123 1.00 0.00 C ATOM 844 O ASP A 60 3.582 11.773 4.919 1.00 0.00 O ATOM 845 CB ASP A 60 5.649 9.150 4.346 1.00 0.00 C ATOM 846 CG ASP A 60 6.152 10.042 3.214 1.00 0.00 C ATOM 847 OD1 ASP A 60 6.254 11.266 3.425 1.00 0.00 O ATOM 848 OD2 ASP A 60 6.477 9.467 2.151 1.00 0.00 O ATOM 0 H ASP A 60 3.856 8.584 6.651 1.00 0.00 H new ATOM 0 HA ASP A 60 5.647 10.725 5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.486 8.567 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.928 8.441 3.939 1.00 0.00 H new ATOM 853 N GLN A 61 2.581 9.775 5.054 1.00 0.00 N ATOM 854 CA GLN A 61 1.242 10.264 4.776 1.00 0.00 C ATOM 855 C GLN A 61 0.671 11.115 5.916 1.00 0.00 C ATOM 856 O GLN A 61 1.262 11.260 6.985 1.00 0.00 O ATOM 857 CB GLN A 61 0.338 9.057 4.457 1.00 0.00 C ATOM 858 CG GLN A 61 -0.503 8.427 5.587 1.00 0.00 C ATOM 859 CD GLN A 61 0.238 8.013 6.856 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.369 8.402 7.102 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.420 7.235 7.706 1.00 0.00 N ATOM 0 H GLN A 61 2.623 8.765 5.193 1.00 0.00 H new ATOM 0 HA GLN A 61 1.286 10.931 3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.349 9.361 3.667 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.972 8.273 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.281 9.137 5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.004 7.546 5.185 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.364 6.920 7.483 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.018 6.952 8.582 1.00 0.00 H new ATOM 870 N SER A 62 -0.546 11.619 5.709 1.00 0.00 N ATOM 871 CA SER A 62 -1.381 12.174 6.756 1.00 0.00 C ATOM 872 C SER A 62 -2.838 11.834 6.422 1.00 0.00 C ATOM 873 O SER A 62 -3.549 12.631 5.818 1.00 0.00 O ATOM 874 CB SER A 62 -1.109 13.680 6.877 1.00 0.00 C ATOM 875 OG SER A 62 -1.483 14.148 8.159 1.00 0.00 O ATOM 0 H SER A 62 -0.981 11.650 4.787 1.00 0.00 H new ATOM 0 HA SER A 62 -1.157 11.747 7.734 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.052 13.880 6.704 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.665 14.219 6.110 1.00 0.00 H new ATOM 0 HG SER A 62 -1.302 15.109 8.222 1.00 0.00 H new ATOM 881 N PHE A 63 -3.275 10.620 6.776 1.00 0.00 N ATOM 882 CA PHE A 63 -4.668 10.208 6.645 1.00 0.00 C ATOM 883 C PHE A 63 -4.977 9.071 7.617 1.00 0.00 C ATOM 884 O PHE A 63 -5.689 9.319 8.584 1.00 0.00 O ATOM 885 CB PHE A 63 -5.049 9.872 5.191 1.00 0.00 C ATOM 886 CG PHE A 63 -6.399 9.199 4.995 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.466 9.409 5.895 1.00 0.00 C ATOM 888 CD2 PHE A 63 -6.571 8.303 3.925 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.610 8.597 5.836 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.734 7.524 3.845 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.743 7.650 4.811 1.00 0.00 C ATOM 0 H PHE A 63 -2.667 9.897 7.162 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.298 11.055 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.037 10.795 4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.278 9.224 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.402 10.197 6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.808 8.215 3.166 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.386 8.702 6.579 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.854 6.822 3.033 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.619 7.020 4.765 1.00 0.00 H new ATOM 901 N LEU A 64 -4.494 7.843 7.364 1.00 0.00 N ATOM 902 CA LEU A 64 -5.005 6.698 8.112 1.00 0.00 C ATOM 903 C LEU A 64 -4.844 6.896 9.610 1.00 0.00 C ATOM 904 O LEU A 64 -3.793 7.351 10.062 1.00 0.00 O ATOM 905 CB LEU A 64 -4.347 5.366 7.740 1.00 0.00 C ATOM 906 CG LEU A 64 -4.971 4.701 6.510 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.501 5.356 5.215 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.567 3.232 6.539 1.00 0.00 C ATOM 0 H LEU A 64 -3.776 7.628 6.672 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.059 6.645 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.286 5.533 7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.419 4.685 8.588 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.055 4.812 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.966 4.856 4.365 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.784 6.409 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.417 5.272 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.993 2.720 5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.480 3.153 6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.938 2.771 7.454 1.00 0.00 H new ATOM 920 N ASP A 65 -5.872 6.512 10.360 1.00 0.00 N ATOM 921 CA ASP A 65 -5.863 6.652 11.804 1.00 0.00 C ATOM 922 C ASP A 65 -5.129 5.473 12.434 1.00 0.00 C ATOM 923 O ASP A 65 -4.914 4.442 11.789 1.00 0.00 O ATOM 924 CB ASP A 65 -7.291 6.743 12.351 1.00 0.00 C ATOM 925 CG ASP A 65 -8.135 7.787 11.635 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.729 7.407 10.603 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.173 8.933 12.133 1.00 0.00 O ATOM 0 H ASP A 65 -6.726 6.099 9.984 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.342 7.575 12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.772 5.769 12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.253 6.981 13.414 1.00 0.00 H new ATOM 932 N ASP A 66 -4.800 5.609 13.722 1.00 0.00 N ATOM 933 CA ASP A 66 -4.212 4.538 14.514 1.00 0.00 C ATOM 934 C ASP A 66 -5.102 3.308 14.405 1.00 0.00 C ATOM 935 O ASP A 66 -4.616 2.199 14.198 1.00 0.00 O ATOM 936 CB ASP A 66 -4.083 4.964 15.983 1.00 0.00 C ATOM 937 CG ASP A 66 -3.025 6.037 16.184 1.00 0.00 C ATOM 938 OD1 ASP A 66 -1.831 5.691 16.061 1.00 0.00 O ATOM 939 OD2 ASP A 66 -3.434 7.186 16.455 1.00 0.00 O ATOM 0 H ASP A 66 -4.938 6.475 14.244 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.214 4.312 14.137 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.045 5.335 16.337 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.834 4.094 16.590 1.00 0.00 H new ATOM 944 N GLU A 67 -6.416 3.532 14.513 1.00 0.00 N ATOM 945 CA GLU A 67 -7.426 2.500 14.418 1.00 0.00 C ATOM 946 C GLU A 67 -7.216 1.696 13.144 1.00 0.00 C ATOM 947 O GLU A 67 -6.975 0.500 13.199 1.00 0.00 O ATOM 948 CB GLU A 67 -8.839 3.107 14.439 1.00 0.00 C ATOM 949 CG GLU A 67 -8.949 4.433 15.190 1.00 0.00 C ATOM 950 CD GLU A 67 -10.394 4.739 15.569 1.00 0.00 C ATOM 951 OE1 GLU A 67 -11.279 4.384 14.761 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.588 5.300 16.668 1.00 0.00 O ATOM 0 H GLU A 67 -6.805 4.461 14.673 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.332 1.841 15.281 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.171 3.257 13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.522 2.389 14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.335 4.395 16.090 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.556 5.238 14.569 1.00 0.00 H new ATOM 959 N GLN A 68 -7.309 2.358 11.991 1.00 0.00 N ATOM 960 CA GLN A 68 -7.147 1.727 10.697 1.00 0.00 C ATOM 961 C GLN A 68 -5.810 0.985 10.601 1.00 0.00 C ATOM 962 O GLN A 68 -5.780 -0.183 10.215 1.00 0.00 O ATOM 963 CB GLN A 68 -7.304 2.785 9.611 1.00 0.00 C ATOM 964 CG GLN A 68 -8.721 3.355 9.648 1.00 0.00 C ATOM 965 CD GLN A 68 -8.836 4.601 8.798 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.844 5.252 8.494 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.046 4.914 8.373 1.00 0.00 N ATOM 0 H GLN A 68 -7.501 3.358 11.937 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.919 0.970 10.558 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.577 3.583 9.760 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.103 2.348 8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.427 2.604 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.995 3.588 10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.847 4.345 8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.180 5.724 7.768 1.00 0.00 H new ATOM 976 N MET A 69 -4.696 1.633 10.950 1.00 0.00 N ATOM 977 CA MET A 69 -3.412 0.950 10.952 1.00 0.00 C ATOM 978 C MET A 69 -3.475 -0.354 11.759 1.00 0.00 C ATOM 979 O MET A 69 -3.264 -1.432 11.202 1.00 0.00 O ATOM 980 CB MET A 69 -2.315 1.881 11.460 1.00 0.00 C ATOM 981 CG MET A 69 -2.089 3.067 10.522 1.00 0.00 C ATOM 982 SD MET A 69 -0.648 4.066 10.974 1.00 0.00 S ATOM 983 CE MET A 69 -1.295 5.707 10.614 1.00 0.00 C ATOM 0 H MET A 69 -4.662 2.613 11.230 1.00 0.00 H new ATOM 0 HA MET A 69 -3.167 0.675 9.926 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.582 2.248 12.451 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.386 1.321 11.567 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.963 2.698 9.504 1.00 0.00 H new ATOM 0 HG3 MET A 69 -2.977 3.699 10.525 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.486 6.436 10.664 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.729 5.716 9.614 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.062 5.964 11.345 1.00 0.00 H new ATOM 993 N ASP A 70 -3.814 -0.257 13.047 1.00 0.00 N ATOM 994 CA ASP A 70 -3.883 -1.387 13.971 1.00 0.00 C ATOM 995 C ASP A 70 -4.827 -2.467 13.440 1.00 0.00 C ATOM 996 O ASP A 70 -4.534 -3.661 13.465 1.00 0.00 O ATOM 997 CB ASP A 70 -4.377 -0.888 15.333 1.00 0.00 C ATOM 998 CG ASP A 70 -4.337 -2.007 16.364 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.210 -2.365 16.766 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.433 -2.484 16.728 1.00 0.00 O ATOM 0 H ASP A 70 -4.054 0.632 13.485 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.890 -1.824 14.072 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.757 -0.056 15.668 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.395 -0.509 15.240 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.959 -2.008 12.909 1.00 0.00 N ATOM 1006 CA ALA A 71 -7.020 -2.822 12.342 1.00 0.00 C ATOM 1007 C ALA A 71 -6.543 -3.601 11.117 1.00 0.00 C ATOM 1008 O ALA A 71 -7.171 -4.591 10.740 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.190 -1.913 11.969 1.00 0.00 C ATOM 0 H ALA A 71 -6.166 -1.010 12.863 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.334 -3.554 13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.994 -2.512 11.542 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.553 -1.402 12.861 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.859 -1.176 11.238 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.455 -3.155 10.486 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.787 -3.878 9.426 1.00 0.00 C ATOM 1017 C GLY A 72 -4.774 -3.082 8.136 1.00 0.00 C ATOM 1018 O GLY A 72 -4.863 -3.699 7.085 1.00 0.00 O ATOM 0 H GLY A 72 -5.013 -2.263 10.709 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.764 -4.104 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.289 -4.832 9.262 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.682 -1.747 8.166 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.701 -0.928 6.953 1.00 0.00 C ATOM 1024 C TYR A 73 -3.422 -0.109 6.755 1.00 0.00 C ATOM 1025 O TYR A 73 -2.634 0.079 7.677 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.952 -0.057 6.933 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.226 -0.869 6.843 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.613 -1.407 5.603 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.069 -1.014 7.959 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.873 -2.005 5.462 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.339 -1.590 7.809 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.768 -2.017 6.544 1.00 0.00 C ATOM 1033 OH TYR A 73 -10.991 -2.603 6.412 1.00 0.00 O ATOM 0 H TYR A 73 -4.593 -1.209 9.028 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.735 -1.607 6.101 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.979 0.555 7.835 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.901 0.627 6.085 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.940 -1.360 4.760 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.738 -0.682 8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.155 -2.456 4.522 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.986 -1.705 8.666 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.681 -1.910 6.348 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.209 0.372 5.528 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.063 1.176 5.133 1.00 0.00 C ATOM 1045 C VAL A 74 -2.478 2.069 3.960 1.00 0.00 C ATOM 1046 O VAL A 74 -3.318 1.661 3.160 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.886 0.247 4.783 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.183 -0.669 3.588 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.416 1.022 4.542 1.00 0.00 C ATOM 0 H VAL A 74 -3.857 0.203 4.758 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.731 1.822 5.946 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.751 -0.386 5.660 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.317 -1.300 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.045 -1.297 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.399 -0.062 2.709 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.216 0.323 4.299 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.278 1.717 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.681 1.577 5.442 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.910 3.275 3.848 1.00 0.00 N ATOM 1060 CA LEU A 75 -2.031 4.086 2.640 1.00 0.00 C ATOM 1061 C LEU A 75 -1.333 3.358 1.477 1.00 0.00 C ATOM 1062 O LEU A 75 -0.421 2.570 1.730 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.379 5.455 2.886 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.968 6.552 1.981 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -3.003 7.411 2.708 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.867 7.438 1.422 1.00 0.00 C ATOM 0 H LEU A 75 -1.359 3.710 4.588 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.080 4.236 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.514 5.737 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.306 5.381 2.712 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.475 6.043 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.389 8.170 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.823 6.780 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.536 7.896 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.306 8.206 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.329 7.911 2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.175 6.833 0.836 1.00 0.00 H new ATOM 1078 N THR A 76 -1.723 3.607 0.218 1.00 0.00 N ATOM 1079 CA THR A 76 -1.118 2.929 -0.942 1.00 0.00 C ATOM 1080 C THR A 76 -0.370 3.871 -1.899 1.00 0.00 C ATOM 1081 O THR A 76 -0.102 3.476 -3.034 1.00 0.00 O ATOM 1082 CB THR A 76 -2.161 2.045 -1.651 1.00 0.00 C ATOM 1083 OG1 THR A 76 -1.528 1.161 -2.550 1.00 0.00 O ATOM 1084 CG2 THR A 76 -3.198 2.850 -2.433 1.00 0.00 C ATOM 0 H THR A 76 -2.456 4.274 -0.025 1.00 0.00 H new ATOM 0 HA THR A 76 -0.334 2.278 -0.556 1.00 0.00 H new ATOM 0 HB THR A 76 -2.675 1.500 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.810 1.633 -3.022 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.904 2.169 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.734 3.511 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.697 3.445 -3.196 1.00 0.00 H new ATOM 1092 N CYS A 77 0.002 5.067 -1.431 1.00 0.00 N ATOM 1093 CA CYS A 77 0.786 6.057 -2.175 1.00 0.00 C ATOM 1094 C CYS A 77 2.180 6.196 -1.551 1.00 0.00 C ATOM 1095 O CYS A 77 3.190 6.156 -2.250 1.00 0.00 O ATOM 1096 CB CYS A 77 0.051 7.380 -2.206 1.00 0.00 C ATOM 1097 SG CYS A 77 -1.449 7.378 -3.225 1.00 0.00 S ATOM 0 H CYS A 77 -0.243 5.383 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 77 0.914 5.724 -3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.217 7.657 -1.186 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.728 8.149 -2.578 1.00 0.00 H new ATOM 1102 N HIS A 78 2.229 6.351 -0.223 1.00 0.00 N ATOM 1103 CA HIS A 78 3.428 6.567 0.568 1.00 0.00 C ATOM 1104 C HIS A 78 3.589 5.395 1.535 1.00 0.00 C ATOM 1105 O HIS A 78 3.059 5.427 2.643 1.00 0.00 O ATOM 1106 CB HIS A 78 3.334 7.893 1.339 1.00 0.00 C ATOM 1107 CG HIS A 78 2.951 9.077 0.495 1.00 0.00 C ATOM 1108 ND1 HIS A 78 1.681 9.354 0.049 1.00 0.00 N ATOM 1109 CD2 HIS A 78 3.780 10.069 0.041 1.00 0.00 C ATOM 1110 CE1 HIS A 78 1.750 10.477 -0.675 1.00 0.00 C ATOM 1111 NE2 HIS A 78 3.003 10.957 -0.711 1.00 0.00 N ATOM 0 H HIS A 78 1.386 6.327 0.351 1.00 0.00 H new ATOM 0 HA HIS A 78 4.297 6.626 -0.088 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.604 7.782 2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.296 8.094 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.840 10.151 0.229 1.00 0.00 H new ATOM 0 HE1 HIS A 78 0.906 10.938 -1.167 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.324 11.799 -1.190 1.00 0.00 H new ATOM 1119 N ALA A 79 4.290 4.344 1.112 1.00 0.00 N ATOM 1120 CA ALA A 79 4.589 3.197 1.953 1.00 0.00 C ATOM 1121 C ALA A 79 5.891 2.577 1.464 1.00 0.00 C ATOM 1122 O ALA A 79 6.031 2.373 0.261 1.00 0.00 O ATOM 1123 CB ALA A 79 3.438 2.188 1.878 1.00 0.00 C ATOM 0 H ALA A 79 4.667 4.269 0.167 1.00 0.00 H new ATOM 0 HA ALA A 79 4.701 3.500 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.665 1.329 2.510 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.518 2.659 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.311 1.857 0.847 1.00 0.00 H new ATOM 1129 N TYR A 80 6.822 2.295 2.377 1.00 0.00 N ATOM 1130 CA TYR A 80 8.106 1.664 2.109 1.00 0.00 C ATOM 1131 C TYR A 80 8.086 0.238 2.669 1.00 0.00 C ATOM 1132 O TYR A 80 7.822 0.058 3.862 1.00 0.00 O ATOM 1133 CB TYR A 80 9.209 2.473 2.795 1.00 0.00 C ATOM 1134 CG TYR A 80 9.448 3.828 2.165 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.145 3.913 0.947 1.00 0.00 C ATOM 1136 CD2 TYR A 80 8.943 4.996 2.767 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.339 5.161 0.332 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.157 6.247 2.161 1.00 0.00 C ATOM 1139 CZ TYR A 80 9.860 6.329 0.946 1.00 0.00 C ATOM 1140 OH TYR A 80 10.045 7.536 0.338 1.00 0.00 O ATOM 0 H TYR A 80 6.691 2.511 3.365 1.00 0.00 H new ATOM 0 HA TYR A 80 8.294 1.630 1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 80 8.948 2.611 3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.137 1.901 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.532 3.018 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.392 4.931 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.857 5.222 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 80 8.781 7.145 2.629 1.00 0.00 H new ATOM 0 HH TYR A 80 9.194 7.849 -0.033 1.00 0.00 H new ATOM 1150 N PRO A 81 8.334 -0.781 1.832 1.00 0.00 N ATOM 1151 CA PRO A 81 8.310 -2.172 2.244 1.00 0.00 C ATOM 1152 C PRO A 81 9.569 -2.540 3.029 1.00 0.00 C ATOM 1153 O PRO A 81 10.652 -2.568 2.457 1.00 0.00 O ATOM 1154 CB PRO A 81 8.187 -2.997 0.963 1.00 0.00 C ATOM 1155 CG PRO A 81 8.545 -2.048 -0.179 1.00 0.00 C ATOM 1156 CD PRO A 81 8.551 -0.646 0.404 1.00 0.00 C ATOM 0 HA PRO A 81 7.473 -2.368 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.859 -3.855 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.176 -3.387 0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.520 -2.297 -0.598 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.820 -2.127 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.500 -0.149 0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.769 -0.036 -0.049 1.00 0.00 H new ATOM 1164 N THR A 82 9.456 -2.862 4.322 1.00 0.00 N ATOM 1165 CA THR A 82 10.633 -3.167 5.128 1.00 0.00 C ATOM 1166 C THR A 82 10.983 -4.657 5.080 1.00 0.00 C ATOM 1167 O THR A 82 12.081 -5.047 5.486 1.00 0.00 O ATOM 1168 CB THR A 82 10.457 -2.628 6.553 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.225 -3.006 7.137 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.504 -1.097 6.534 1.00 0.00 C ATOM 0 H THR A 82 8.570 -2.917 4.824 1.00 0.00 H new ATOM 0 HA THR A 82 11.494 -2.655 4.699 1.00 0.00 H new ATOM 0 HB THR A 82 11.268 -3.054 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.817 -3.722 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.379 -0.717 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.465 -0.767 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.702 -0.716 5.902 1.00 0.00 H new ATOM 1178 N SER A 83 10.076 -5.491 4.563 1.00 0.00 N ATOM 1179 CA SER A 83 10.267 -6.913 4.334 1.00 0.00 C ATOM 1180 C SER A 83 9.265 -7.350 3.266 1.00 0.00 C ATOM 1181 O SER A 83 8.505 -6.519 2.766 1.00 0.00 O ATOM 1182 CB SER A 83 10.073 -7.696 5.642 1.00 0.00 C ATOM 1183 OG SER A 83 10.962 -7.254 6.651 1.00 0.00 O ATOM 0 H SER A 83 9.149 -5.172 4.282 1.00 0.00 H new ATOM 0 HA SER A 83 11.281 -7.116 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.045 -7.581 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.231 -8.759 5.457 1.00 0.00 H new ATOM 0 HG SER A 83 11.534 -6.543 6.294 1.00 0.00 H new ATOM 1189 N ASP A 84 9.249 -8.643 2.941 1.00 0.00 N ATOM 1190 CA ASP A 84 8.152 -9.294 2.248 1.00 0.00 C ATOM 1191 C ASP A 84 6.864 -9.004 3.030 1.00 0.00 C ATOM 1192 O ASP A 84 6.714 -9.408 4.181 1.00 0.00 O ATOM 1193 CB ASP A 84 8.437 -10.801 2.130 1.00 0.00 C ATOM 1194 CG ASP A 84 8.806 -11.463 3.456 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.763 -10.951 4.085 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.161 -12.479 3.789 1.00 0.00 O ATOM 0 H ASP A 84 10.019 -9.276 3.160 1.00 0.00 H new ATOM 0 HA ASP A 84 8.039 -8.912 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.557 -11.297 1.719 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.250 -10.953 1.420 1.00 0.00 H new ATOM 1201 N VAL A 85 5.964 -8.236 2.418 1.00 0.00 N ATOM 1202 CA VAL A 85 4.675 -7.843 2.969 1.00 0.00 C ATOM 1203 C VAL A 85 3.575 -8.345 2.039 1.00 0.00 C ATOM 1204 O VAL A 85 3.736 -8.398 0.817 1.00 0.00 O ATOM 1205 CB VAL A 85 4.633 -6.314 3.216 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.115 -5.537 1.986 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.260 -5.791 3.680 1.00 0.00 C ATOM 0 H VAL A 85 6.123 -7.856 1.485 1.00 0.00 H new ATOM 0 HA VAL A 85 4.513 -8.300 3.945 1.00 0.00 H new ATOM 0 HB VAL A 85 5.321 -6.138 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.073 -4.467 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.141 -5.822 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.474 -5.768 1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.313 -4.713 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.510 -6.014 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.984 -6.275 4.617 1.00 0.00 H new ATOM 1217 N VAL A 86 2.447 -8.720 2.636 1.00 0.00 N ATOM 1218 CA VAL A 86 1.229 -9.038 1.929 1.00 0.00 C ATOM 1219 C VAL A 86 0.225 -7.979 2.338 1.00 0.00 C ATOM 1220 O VAL A 86 0.007 -7.775 3.533 1.00 0.00 O ATOM 1221 CB VAL A 86 0.747 -10.446 2.304 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.510 -10.799 1.500 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.837 -11.483 2.000 1.00 0.00 C ATOM 0 H VAL A 86 2.362 -8.811 3.648 1.00 0.00 H new ATOM 0 HA VAL A 86 1.372 -9.040 0.848 1.00 0.00 H new ATOM 0 HB VAL A 86 0.522 -10.459 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.846 -11.800 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.298 -10.079 1.721 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.281 -10.770 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.480 -12.476 2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.074 -11.461 0.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.732 -11.249 2.576 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.367 -7.300 1.361 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.402 -6.315 1.565 1.00 0.00 C ATOM 1235 C ILE A 87 -2.473 -6.521 0.491 1.00 0.00 C ATOM 1236 O ILE A 87 -2.173 -7.061 -0.570 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.747 -4.917 1.604 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.719 -3.742 1.454 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.463 -4.735 0.687 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.879 -3.407 -0.021 1.00 0.00 C ATOM 0 H ILE A 87 -0.126 -7.430 0.378 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.918 -6.418 2.520 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.369 -4.890 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.686 -3.997 1.888 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.345 -2.874 1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.848 -3.720 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.240 -5.448 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.165 -4.907 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.570 -2.571 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.910 -3.134 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.272 -4.275 -0.551 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.713 -6.100 0.748 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.776 -6.025 -0.248 1.00 0.00 C ATOM 1254 C GLU A 88 -4.962 -4.575 -0.677 1.00 0.00 C ATOM 1255 O GLU A 88 -5.153 -3.739 0.195 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.107 -6.488 0.340 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.145 -7.781 1.148 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.529 -7.933 1.770 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.511 -7.843 0.997 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.608 -8.016 3.013 1.00 0.00 O ATOM 0 H GLU A 88 -4.009 -5.796 1.675 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.493 -6.662 -1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.481 -5.688 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.813 -6.593 -0.484 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.924 -8.634 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.382 -7.762 1.926 1.00 0.00 H new ATOM 1267 N THR A 89 -4.958 -4.256 -1.972 1.00 0.00 N ATOM 1268 CA THR A 89 -5.188 -2.873 -2.421 1.00 0.00 C ATOM 1269 C THR A 89 -6.701 -2.633 -2.556 1.00 0.00 C ATOM 1270 O THR A 89 -7.488 -3.549 -2.323 1.00 0.00 O ATOM 1271 CB THR A 89 -4.386 -2.581 -3.708 1.00 0.00 C ATOM 1272 OG1 THR A 89 -4.893 -3.336 -4.783 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.904 -2.881 -3.495 1.00 0.00 C ATOM 0 H THR A 89 -4.800 -4.925 -2.725 1.00 0.00 H new ATOM 0 HA THR A 89 -4.819 -2.161 -1.683 1.00 0.00 H new ATOM 0 HB THR A 89 -4.491 -1.523 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.741 -2.948 -5.084 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.354 -2.669 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.519 -2.257 -2.689 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.780 -3.931 -3.232 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.112 -1.415 -2.932 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.511 -1.049 -3.187 1.00 0.00 C ATOM 1283 C HIS A 90 -9.323 -1.035 -1.892 1.00 0.00 C ATOM 1284 O HIS A 90 -10.383 -1.650 -1.818 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.165 -1.936 -4.273 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.451 -1.987 -5.604 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.107 -2.193 -5.802 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.016 -1.824 -6.842 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.860 -2.151 -7.117 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -7.997 -1.930 -7.795 1.00 0.00 N ATOM 0 H HIS A 90 -6.465 -0.638 -3.071 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.510 -0.034 -3.585 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.243 -2.952 -3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.181 -1.580 -4.442 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.061 -1.646 -7.046 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -5.886 -2.277 -7.567 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.098 -1.854 -8.807 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.825 -0.327 -0.871 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.431 -0.293 0.456 1.00 0.00 C ATOM 1300 C LYS A 91 -9.663 1.132 0.928 1.00 0.00 C ATOM 1301 O LYS A 91 -9.534 1.415 2.112 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.553 -1.064 1.445 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.241 -2.461 0.909 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.488 -3.322 0.890 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.257 -4.654 0.176 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.945 -5.751 0.885 1.00 0.00 N ATOM 0 H LYS A 91 -7.982 0.242 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.408 -0.773 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.625 -0.519 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.061 -1.142 2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.831 -2.386 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.478 -2.931 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.813 -3.511 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.294 -2.781 0.395 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.622 -4.591 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.189 -4.863 0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.668 -6.662 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.678 -5.736 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.974 -5.629 0.798 1.00 0.00 H new ATOM 1320 N GLU A 92 -10.051 2.015 0.011 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.597 3.313 0.364 1.00 0.00 C ATOM 1322 C GLU A 92 -11.929 3.053 1.090 1.00 0.00 C ATOM 1323 O GLU A 92 -11.997 3.149 2.318 1.00 0.00 O ATOM 1324 CB GLU A 92 -10.623 4.176 -0.912 1.00 0.00 C ATOM 1325 CG GLU A 92 -11.768 5.193 -1.036 1.00 0.00 C ATOM 1326 CD GLU A 92 -12.708 4.768 -2.153 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -13.072 3.570 -2.135 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -12.960 5.618 -3.033 1.00 0.00 O ATOM 0 H GLU A 92 -9.994 1.847 -0.993 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.005 3.901 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -9.679 4.717 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.666 3.509 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.313 5.259 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.366 6.185 -1.243 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.962 2.590 0.384 1.00 0.00 N ATOM 1336 CA GLU A 93 -14.243 2.249 1.004 1.00 0.00 C ATOM 1337 C GLU A 93 -14.206 0.944 1.839 1.00 0.00 C ATOM 1338 O GLU A 93 -15.218 0.255 1.949 1.00 0.00 O ATOM 1339 CB GLU A 93 -15.364 2.251 -0.064 1.00 0.00 C ATOM 1340 CG GLU A 93 -16.085 3.607 -0.173 1.00 0.00 C ATOM 1341 CD GLU A 93 -17.269 3.571 -1.142 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -17.815 2.465 -1.354 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -17.639 4.661 -1.629 1.00 0.00 O ATOM 0 H GLU A 93 -12.935 2.442 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.466 3.024 1.737 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.936 1.994 -1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.092 1.477 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -16.438 3.907 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -15.375 4.366 -0.502 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.079 0.616 2.491 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.049 -0.310 3.619 1.00 0.00 C ATOM 1352 C GLU A 94 -12.462 0.346 4.879 1.00 0.00 C ATOM 1353 O GLU A 94 -12.408 -0.331 5.909 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.249 -1.587 3.297 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.918 -2.611 2.367 1.00 0.00 C ATOM 1356 CD GLU A 94 -12.282 -4.005 2.485 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.776 -4.360 3.579 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -12.230 -4.701 1.445 1.00 0.00 O ATOM 0 H GLU A 94 -12.163 0.991 2.244 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.087 -0.584 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -11.301 -1.289 2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.014 -2.086 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.980 -2.677 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.844 -2.266 1.336 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.980 1.599 4.830 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.366 2.244 5.986 1.00 0.00 C ATOM 1367 C ILE A 95 -12.221 3.392 6.511 1.00 0.00 C ATOM 1368 O ILE A 95 -12.307 3.570 7.727 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.900 2.630 5.723 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.763 3.677 4.619 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -9.114 1.353 5.418 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.351 4.216 4.453 1.00 0.00 C ATOM 0 H ILE A 95 -12.008 2.182 3.994 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.329 1.512 6.793 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.486 3.104 6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.088 3.240 3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.436 4.507 4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.071 1.605 5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.175 0.676 6.270 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.536 0.867 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.335 4.954 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.029 4.684 5.383 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.676 3.397 4.206 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.823 4.167 5.608 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.735 5.234 5.987 1.00 0.00 C ATOM 1386 C VAL A 96 -15.114 4.641 6.294 1.00 0.00 C ATOM 1387 O VAL A 96 -15.354 3.486 5.871 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.789 6.322 4.899 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.396 6.918 4.643 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.376 5.817 3.574 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.910 5.357 6.940 1.00 0.00 O ATOM 0 H VAL A 96 -12.690 4.070 4.601 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.372 5.722 6.891 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.455 7.094 5.284 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.464 7.684 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.016 7.363 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.718 6.130 4.314 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.387 6.630 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.764 4.999 3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.394 5.463 3.738 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.417 11.441 -2.356 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.953 8.909 -2.183 1.00 0.00 FE HETATM 1404 S1 FES A 97 -1.900 10.482 -1.096 1.00 0.00 S HETATM 1405 S2 FES A 97 -4.288 9.885 -3.597 1.00 0.00 S