USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 337 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 17 THR OG1 : rot 180:sc= -0.219 USER MOD Set 1.2: A 33 ASN : amide:sc= -2.82! C(o=-3!,f=-3.7!) USER MOD Single : A 1 LEU N :NH3+ -120:sc= 0.144 (180deg=-0.806) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -52:sc= 1.1 USER MOD Single : A 11 TYR OH : rot 151:sc= -5.56! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc=-0.00693 (180deg=-0.00693) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.77 K(o=-0.77,f=-2.6) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 60:sc= -0.367 USER MOD Single : A 31 TYR OH : rot 110:sc= -3! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.252 K(o=-0.25,f=0.36) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.8) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -0.384 X(o=-0.38,f=-0.66) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -13.198 11.758 0.659 1.00 0.00 N ATOM 2 CA LEU A 1 -13.531 10.627 -0.189 1.00 0.00 C ATOM 3 C LEU A 1 -12.636 9.440 0.173 1.00 0.00 C ATOM 4 O LEU A 1 -11.899 9.493 1.157 1.00 0.00 O ATOM 5 CB LEU A 1 -13.457 11.024 -1.665 1.00 0.00 C ATOM 6 CG LEU A 1 -14.722 11.649 -2.256 1.00 0.00 C ATOM 7 CD1 LEU A 1 -14.740 13.163 -2.036 1.00 0.00 C ATOM 8 CD2 LEU A 1 -14.877 11.282 -3.734 1.00 0.00 C ATOM 0 H1 LEU A 1 -14.035 12.039 1.208 1.00 0.00 H new ATOM 0 H2 LEU A 1 -12.431 11.491 1.309 1.00 0.00 H new ATOM 0 H3 LEU A 1 -12.888 12.556 0.068 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.561 10.314 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -12.635 11.729 -1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -13.208 10.137 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 1 -15.584 11.237 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -15.650 13.582 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.712 13.376 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.871 13.611 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.784 11.739 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -14.014 11.646 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -14.943 10.199 -3.835 1.00 0.00 H new ATOM 19 N ALA A 2 -12.729 8.399 -0.639 1.00 0.00 N ATOM 20 CA ALA A 2 -11.937 7.201 -0.416 1.00 0.00 C ATOM 21 C ALA A 2 -12.332 6.576 0.923 1.00 0.00 C ATOM 22 O ALA A 2 -12.977 7.222 1.748 1.00 0.00 O ATOM 23 CB ALA A 2 -10.449 7.555 -0.477 1.00 0.00 C ATOM 0 H ALA A 2 -13.341 8.359 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 2 -12.130 6.463 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.854 6.657 -0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.213 7.969 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.218 8.291 0.293 1.00 0.00 H new ATOM 29 N ALA A 3 -11.931 5.325 1.097 1.00 0.00 N ATOM 30 CA ALA A 3 -12.236 4.604 2.321 1.00 0.00 C ATOM 31 C ALA A 3 -11.127 3.587 2.599 1.00 0.00 C ATOM 32 O ALA A 3 -10.150 3.510 1.856 1.00 0.00 O ATOM 33 CB ALA A 3 -13.612 3.948 2.198 1.00 0.00 C ATOM 0 H ALA A 3 -11.397 4.792 0.410 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.276 5.288 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -13.841 3.407 3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -14.368 4.716 2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.610 3.253 1.358 1.00 0.00 H new ATOM 39 N VAL A 4 -11.315 2.834 3.672 1.00 0.00 N ATOM 40 CA VAL A 4 -10.343 1.825 4.058 1.00 0.00 C ATOM 41 C VAL A 4 -8.949 2.455 4.096 1.00 0.00 C ATOM 42 O VAL A 4 -8.792 3.642 3.817 1.00 0.00 O ATOM 43 CB VAL A 4 -10.431 0.625 3.112 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.261 0.618 2.126 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.495 -0.687 3.896 1.00 0.00 C ATOM 0 H VAL A 4 -12.126 2.902 4.287 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.558 1.450 5.059 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.353 0.717 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.347 -0.245 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.279 1.533 1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.322 0.561 2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.557 -1.524 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.599 -0.789 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.375 -0.684 4.539 1.00 0.00 H new ATOM 55 N SER A 5 -7.972 1.631 4.446 1.00 0.00 N ATOM 56 CA SER A 5 -6.597 2.093 4.525 1.00 0.00 C ATOM 57 C SER A 5 -5.694 0.963 5.026 1.00 0.00 C ATOM 58 O SER A 5 -6.061 0.232 5.945 1.00 0.00 O ATOM 59 CB SER A 5 -6.477 3.314 5.439 1.00 0.00 C ATOM 60 OG SER A 5 -5.961 2.971 6.722 1.00 0.00 O ATOM 0 H SER A 5 -8.106 0.647 4.678 1.00 0.00 H new ATOM 0 HA SER A 5 -6.278 2.389 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.826 4.054 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.456 3.778 5.554 1.00 0.00 H new ATOM 0 HG SER A 5 -5.898 3.777 7.275 1.00 0.00 H new ATOM 65 N VAL A 6 -4.530 0.858 4.404 1.00 0.00 N ATOM 66 CA VAL A 6 -3.571 -0.169 4.775 1.00 0.00 C ATOM 67 C VAL A 6 -2.585 0.405 5.795 1.00 0.00 C ATOM 68 O VAL A 6 -1.964 1.438 5.550 1.00 0.00 O ATOM 69 CB VAL A 6 -2.885 -0.721 3.525 1.00 0.00 C ATOM 70 CG1 VAL A 6 -3.883 -1.461 2.632 1.00 0.00 C ATOM 71 CG2 VAL A 6 -2.177 0.393 2.750 1.00 0.00 C ATOM 0 H VAL A 6 -4.228 1.468 3.644 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.076 -1.010 5.249 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.129 -1.437 3.847 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.369 -1.843 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.320 -2.292 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.672 -0.776 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.697 -0.027 1.866 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.906 1.144 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.423 0.856 3.386 1.00 0.00 H new ATOM 81 N ASP A 7 -2.474 -0.289 6.917 1.00 0.00 N ATOM 82 CA ASP A 7 -1.574 0.137 7.975 1.00 0.00 C ATOM 83 C ASP A 7 -0.135 0.114 7.456 1.00 0.00 C ATOM 84 O ASP A 7 0.335 -0.911 6.964 1.00 0.00 O ATOM 85 CB ASP A 7 -1.656 -0.801 9.181 1.00 0.00 C ATOM 86 CG ASP A 7 -0.840 -0.362 10.399 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.229 0.717 10.404 1.00 0.00 O ATOM 88 OD2 ASP A 7 -0.847 -1.192 11.387 1.00 0.00 O ATOM 0 H ASP A 7 -2.993 -1.144 7.117 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.866 1.142 8.280 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.701 -0.896 9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.320 -1.792 8.875 1.00 0.00 H new ATOM 93 N CYS A 8 0.524 1.257 7.582 1.00 0.00 N ATOM 94 CA CYS A 8 1.900 1.381 7.131 1.00 0.00 C ATOM 95 C CYS A 8 2.702 2.088 8.225 1.00 0.00 C ATOM 96 O CYS A 8 3.841 2.496 7.999 1.00 0.00 O ATOM 97 CB CYS A 8 1.993 2.114 5.791 1.00 0.00 C ATOM 98 SG CYS A 8 0.706 1.652 4.574 1.00 0.00 S ATOM 0 H CYS A 8 0.131 2.105 7.990 1.00 0.00 H new ATOM 0 HA CYS A 8 2.319 0.390 6.958 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.932 3.187 5.974 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.973 1.921 5.354 1.00 0.00 H new ATOM 102 N SER A 9 2.077 2.211 9.386 1.00 0.00 N ATOM 103 CA SER A 9 2.719 2.862 10.516 1.00 0.00 C ATOM 104 C SER A 9 3.522 1.840 11.323 1.00 0.00 C ATOM 105 O SER A 9 3.851 2.079 12.483 1.00 0.00 O ATOM 106 CB SER A 9 1.689 3.554 11.412 1.00 0.00 C ATOM 107 OG SER A 9 0.887 2.617 12.125 1.00 0.00 O ATOM 0 H SER A 9 1.133 1.871 9.569 1.00 0.00 H new ATOM 0 HA SER A 9 3.396 3.624 10.131 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.203 4.204 12.120 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.048 4.190 10.802 1.00 0.00 H new ATOM 0 HG SER A 9 0.509 1.966 11.498 1.00 0.00 H new ATOM 112 N GLU A 10 3.813 0.721 10.677 1.00 0.00 N ATOM 113 CA GLU A 10 4.570 -0.340 11.319 1.00 0.00 C ATOM 114 C GLU A 10 5.911 -0.540 10.609 1.00 0.00 C ATOM 115 O GLU A 10 6.903 -0.904 11.238 1.00 0.00 O ATOM 116 CB GLU A 10 3.769 -1.642 11.355 1.00 0.00 C ATOM 117 CG GLU A 10 3.322 -2.050 9.950 1.00 0.00 C ATOM 118 CD GLU A 10 1.895 -1.572 9.669 1.00 0.00 C ATOM 119 OE1 GLU A 10 1.677 -0.372 9.446 1.00 0.00 O ATOM 120 OE2 GLU A 10 0.997 -2.499 9.686 1.00 0.00 O ATOM 0 H GLU A 10 3.538 0.526 9.714 1.00 0.00 H new ATOM 0 HA GLU A 10 4.767 -0.046 12.350 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.376 -2.435 11.792 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.896 -1.519 11.997 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.003 -1.628 9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.373 -3.134 9.848 1.00 0.00 H new ATOM 126 N TYR A 11 5.897 -0.294 9.307 1.00 0.00 N ATOM 127 CA TYR A 11 7.099 -0.442 8.505 1.00 0.00 C ATOM 128 C TYR A 11 8.274 0.312 9.132 1.00 0.00 C ATOM 129 O TYR A 11 8.090 1.085 10.070 1.00 0.00 O ATOM 130 CB TYR A 11 6.777 0.180 7.145 1.00 0.00 C ATOM 131 CG TYR A 11 6.560 -0.843 6.028 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.442 -1.653 6.042 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.481 -0.957 5.007 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.237 -2.615 4.992 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.276 -1.921 3.956 1.00 0.00 C ATOM 136 CZ TYR A 11 6.165 -2.702 4.000 1.00 0.00 C ATOM 137 OH TYR A 11 5.970 -3.612 3.009 1.00 0.00 O ATOM 0 H TYR A 11 5.072 0.007 8.788 1.00 0.00 H new ATOM 0 HA TYR A 11 7.382 -1.492 8.429 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.881 0.794 7.241 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.591 0.847 6.860 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.721 -1.564 6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.356 -0.324 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.366 -3.254 4.991 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.989 -2.021 3.151 1.00 0.00 H new ATOM 0 HH TYR A 11 6.387 -3.290 2.182 1.00 0.00 H new ATOM 146 N PRO A 12 9.487 0.053 8.573 1.00 0.00 N ATOM 147 CA PRO A 12 9.617 -0.877 7.465 1.00 0.00 C ATOM 148 C PRO A 12 9.490 -2.324 7.945 1.00 0.00 C ATOM 149 O PRO A 12 9.869 -2.644 9.071 1.00 0.00 O ATOM 150 CB PRO A 12 10.974 -0.571 6.852 1.00 0.00 C ATOM 151 CG PRO A 12 11.749 0.192 7.914 1.00 0.00 C ATOM 152 CD PRO A 12 10.761 0.636 8.982 1.00 0.00 C ATOM 0 HA PRO A 12 8.825 -0.762 6.725 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.493 -1.488 6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.867 0.023 5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.524 -0.440 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.250 1.055 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.059 0.283 9.969 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.700 1.723 9.037 1.00 0.00 H new ATOM 157 N LYS A 13 8.956 -3.161 7.067 1.00 0.00 N ATOM 158 CA LYS A 13 8.775 -4.566 7.388 1.00 0.00 C ATOM 159 C LYS A 13 9.806 -5.398 6.621 1.00 0.00 C ATOM 160 O LYS A 13 10.208 -5.029 5.517 1.00 0.00 O ATOM 161 CB LYS A 13 7.328 -4.993 7.131 1.00 0.00 C ATOM 162 CG LYS A 13 6.389 -4.410 8.189 1.00 0.00 C ATOM 163 CD LYS A 13 4.931 -4.489 7.732 1.00 0.00 C ATOM 164 CE LYS A 13 4.327 -5.857 8.059 1.00 0.00 C ATOM 165 NZ LYS A 13 3.334 -5.737 9.149 1.00 0.00 N ATOM 0 H LYS A 13 8.643 -2.893 6.134 1.00 0.00 H new ATOM 0 HA LYS A 13 8.951 -4.739 8.450 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.017 -4.660 6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.259 -6.081 7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.510 -4.953 9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.657 -3.372 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.351 -3.705 8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.872 -4.309 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.852 -6.273 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.116 -6.549 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.934 -6.674 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.797 -5.360 10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.572 -5.093 8.855 1.00 0.00 H new ATOM 175 N ASP A 14 10.204 -6.501 7.234 1.00 0.00 N ATOM 176 CA ASP A 14 11.180 -7.388 6.622 1.00 0.00 C ATOM 177 C ASP A 14 10.505 -8.712 6.261 1.00 0.00 C ATOM 178 O ASP A 14 11.058 -9.508 5.505 1.00 0.00 O ATOM 179 CB ASP A 14 12.330 -7.690 7.587 1.00 0.00 C ATOM 180 CG ASP A 14 13.722 -7.696 6.952 1.00 0.00 C ATOM 181 OD1 ASP A 14 14.226 -8.746 6.528 1.00 0.00 O ATOM 182 OD2 ASP A 14 14.302 -6.545 6.901 1.00 0.00 O ATOM 0 H ASP A 14 9.869 -6.802 8.149 1.00 0.00 H new ATOM 0 HA ASP A 14 11.574 -6.894 5.734 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.316 -6.951 8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.153 -8.662 8.047 1.00 0.00 H new ATOM 187 N ALA A 15 9.320 -8.906 6.820 1.00 0.00 N ATOM 188 CA ALA A 15 8.563 -10.120 6.565 1.00 0.00 C ATOM 189 C ALA A 15 7.841 -9.995 5.222 1.00 0.00 C ATOM 190 O ALA A 15 8.097 -10.770 4.301 1.00 0.00 O ATOM 191 CB ALA A 15 7.596 -10.372 7.725 1.00 0.00 C ATOM 0 H ALA A 15 8.865 -8.243 7.448 1.00 0.00 H new ATOM 0 HA ALA A 15 9.229 -10.980 6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.028 -11.283 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.160 -10.484 8.651 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.911 -9.529 7.817 1.00 0.00 H new ATOM 197 N CYS A 16 6.954 -9.014 5.153 1.00 0.00 N ATOM 198 CA CYS A 16 6.194 -8.777 3.937 1.00 0.00 C ATOM 199 C CYS A 16 5.315 -10.001 3.675 1.00 0.00 C ATOM 200 O CYS A 16 5.508 -11.051 4.285 1.00 0.00 O ATOM 201 CB CYS A 16 7.108 -8.465 2.750 1.00 0.00 C ATOM 202 SG CYS A 16 6.248 -7.816 1.271 1.00 0.00 S ATOM 0 H CYS A 16 6.744 -8.374 5.919 1.00 0.00 H new ATOM 0 HA CYS A 16 5.562 -7.898 4.065 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.856 -7.738 3.066 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.643 -9.373 2.473 1.00 0.00 H new ATOM 206 N THR A 17 4.366 -9.825 2.765 1.00 0.00 N ATOM 207 CA THR A 17 3.457 -10.903 2.414 1.00 0.00 C ATOM 208 C THR A 17 3.690 -11.347 0.969 1.00 0.00 C ATOM 209 O THR A 17 4.024 -10.533 0.111 1.00 0.00 O ATOM 210 CB THR A 17 2.029 -10.421 2.679 1.00 0.00 C ATOM 211 OG1 THR A 17 1.834 -9.377 1.728 1.00 0.00 O ATOM 212 CG2 THR A 17 1.888 -9.722 4.033 1.00 0.00 C ATOM 0 H THR A 17 4.208 -8.952 2.261 1.00 0.00 H new ATOM 0 HA THR A 17 3.636 -11.787 3.025 1.00 0.00 H new ATOM 0 HB THR A 17 1.346 -11.269 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.932 -9.008 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.856 -9.400 4.171 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.162 -10.414 4.830 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.546 -8.854 4.064 1.00 0.00 H new ATOM 220 N LEU A 18 3.506 -12.641 0.746 1.00 0.00 N ATOM 221 CA LEU A 18 3.692 -13.204 -0.581 1.00 0.00 C ATOM 222 C LEU A 18 2.396 -13.055 -1.380 1.00 0.00 C ATOM 223 O LEU A 18 2.428 -12.923 -2.602 1.00 0.00 O ATOM 224 CB LEU A 18 4.193 -14.647 -0.484 1.00 0.00 C ATOM 225 CG LEU A 18 5.692 -14.821 -0.232 1.00 0.00 C ATOM 226 CD1 LEU A 18 6.506 -14.418 -1.463 1.00 0.00 C ATOM 227 CD2 LEU A 18 6.129 -14.058 1.019 1.00 0.00 C ATOM 0 H LEU A 18 3.231 -13.314 1.461 1.00 0.00 H new ATOM 0 HA LEU A 18 4.464 -12.658 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.650 -15.146 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.938 -15.162 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 18 5.887 -15.878 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.568 -14.551 -1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.220 -15.043 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.311 -13.372 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.199 -14.198 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.917 -12.997 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.583 -14.435 1.884 1.00 0.00 H new ATOM 238 N GLU A 19 1.285 -13.083 -0.657 1.00 0.00 N ATOM 239 CA GLU A 19 -0.019 -12.953 -1.283 1.00 0.00 C ATOM 240 C GLU A 19 -0.039 -11.745 -2.222 1.00 0.00 C ATOM 241 O GLU A 19 0.859 -10.905 -2.178 1.00 0.00 O ATOM 242 CB GLU A 19 -1.124 -12.849 -0.231 1.00 0.00 C ATOM 243 CG GLU A 19 -0.883 -13.831 0.917 1.00 0.00 C ATOM 244 CD GLU A 19 -0.334 -15.160 0.396 1.00 0.00 C ATOM 245 OE1 GLU A 19 0.860 -15.448 0.567 1.00 0.00 O ATOM 246 OE2 GLU A 19 -1.197 -15.908 -0.205 1.00 0.00 O ATOM 0 H GLU A 19 1.262 -13.194 0.357 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.208 -13.850 -1.873 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.165 -11.832 0.159 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.090 -13.053 -0.692 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.181 -13.398 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.816 -14.004 1.454 1.00 0.00 H new ATOM 252 N TYR A 20 -1.074 -11.694 -3.048 1.00 0.00 N ATOM 253 CA TYR A 20 -1.223 -10.602 -3.995 1.00 0.00 C ATOM 254 C TYR A 20 -2.465 -9.768 -3.678 1.00 0.00 C ATOM 255 O TYR A 20 -3.584 -10.277 -3.709 1.00 0.00 O ATOM 256 CB TYR A 20 -1.398 -11.255 -5.367 1.00 0.00 C ATOM 257 CG TYR A 20 -1.037 -10.344 -6.542 1.00 0.00 C ATOM 258 CD1 TYR A 20 -1.537 -9.058 -6.597 1.00 0.00 C ATOM 259 CD2 TYR A 20 -0.209 -10.806 -7.545 1.00 0.00 C ATOM 260 CE1 TYR A 20 -1.197 -8.200 -7.701 1.00 0.00 C ATOM 261 CE2 TYR A 20 0.131 -9.948 -8.650 1.00 0.00 C ATOM 262 CZ TYR A 20 -0.379 -8.687 -8.674 1.00 0.00 C ATOM 263 OH TYR A 20 -0.058 -7.877 -9.718 1.00 0.00 O ATOM 0 H TYR A 20 -1.818 -12.391 -3.081 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.359 -9.938 -3.955 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.780 -12.151 -5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.434 -11.577 -5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.183 -8.696 -5.811 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.184 -11.811 -7.501 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.582 -7.193 -7.756 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.776 -10.298 -9.442 1.00 0.00 H new ATOM 0 HH TYR A 20 0.533 -8.357 -10.335 1.00 0.00 H new ATOM 272 N ARG A 21 -2.225 -8.498 -3.381 1.00 0.00 N ATOM 273 CA ARG A 21 -3.311 -7.588 -3.059 1.00 0.00 C ATOM 274 C ARG A 21 -3.092 -6.237 -3.743 1.00 0.00 C ATOM 275 O ARG A 21 -2.333 -5.404 -3.250 1.00 0.00 O ATOM 276 CB ARG A 21 -3.421 -7.375 -1.547 1.00 0.00 C ATOM 277 CG ARG A 21 -4.298 -8.451 -0.904 1.00 0.00 C ATOM 278 CD ARG A 21 -3.483 -9.705 -0.586 1.00 0.00 C ATOM 279 NE ARG A 21 -4.339 -10.907 -0.697 1.00 0.00 N ATOM 280 CZ ARG A 21 -5.143 -11.349 0.279 1.00 0.00 C ATOM 281 NH1 ARG A 21 -5.206 -10.691 1.445 1.00 0.00 N ATOM 282 NH2 ARG A 21 -5.885 -12.449 0.090 1.00 0.00 N ATOM 0 H ARG A 21 -1.295 -8.079 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.237 -8.036 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.427 -7.396 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.841 -6.390 -1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.745 -8.062 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.118 -8.706 -1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.640 -9.784 -1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.070 -9.635 0.420 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.315 -11.432 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.642 -9.854 1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.818 -11.028 2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.838 -12.950 -0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.497 -12.785 0.833 1.00 0.00 H new ATOM 293 N PRO A 22 -3.787 -6.058 -4.897 1.00 0.00 N ATOM 294 CA PRO A 22 -3.677 -4.822 -5.654 1.00 0.00 C ATOM 295 C PRO A 22 -4.448 -3.691 -4.972 1.00 0.00 C ATOM 296 O PRO A 22 -5.569 -3.889 -4.509 1.00 0.00 O ATOM 297 CB PRO A 22 -4.213 -5.158 -7.036 1.00 0.00 C ATOM 298 CG PRO A 22 -5.031 -6.428 -6.868 1.00 0.00 C ATOM 299 CD PRO A 22 -4.696 -7.023 -5.510 1.00 0.00 C ATOM 0 HA PRO A 22 -2.652 -4.457 -5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.828 -4.346 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -3.399 -5.309 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.096 -6.207 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.801 -7.138 -7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.593 -7.161 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.226 -8.001 -5.611 1.00 0.00 H new ATOM 304 N LEU A 23 -3.816 -2.527 -4.934 1.00 0.00 N ATOM 305 CA LEU A 23 -4.429 -1.363 -4.317 1.00 0.00 C ATOM 306 C LEU A 23 -3.922 -0.097 -5.010 1.00 0.00 C ATOM 307 O LEU A 23 -2.767 -0.032 -5.427 1.00 0.00 O ATOM 308 CB LEU A 23 -4.193 -1.371 -2.805 1.00 0.00 C ATOM 309 CG LEU A 23 -2.939 -2.105 -2.326 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.676 -1.482 -2.924 1.00 0.00 C ATOM 311 CD2 LEU A 23 -2.883 -2.156 -0.798 1.00 0.00 C ATOM 0 H LEU A 23 -2.886 -2.365 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.511 -1.388 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.140 -0.338 -2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.060 -1.823 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.990 -3.134 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.799 -2.023 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.721 -1.541 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.606 -0.438 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.982 -2.683 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.867 -1.141 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.760 -2.680 -0.419 1.00 0.00 H new ATOM 322 N CYS A 24 -4.813 0.879 -5.115 1.00 0.00 N ATOM 323 CA CYS A 24 -4.470 2.140 -5.752 1.00 0.00 C ATOM 324 C CYS A 24 -4.261 3.189 -4.659 1.00 0.00 C ATOM 325 O CYS A 24 -5.062 3.291 -3.730 1.00 0.00 O ATOM 326 CB CYS A 24 -5.536 2.571 -6.761 1.00 0.00 C ATOM 327 SG CYS A 24 -5.379 4.296 -7.353 1.00 0.00 S ATOM 0 H CYS A 24 -5.771 0.822 -4.770 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.549 2.024 -6.323 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.495 1.902 -7.620 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.519 2.446 -6.306 1.00 0.00 H new ATOM 331 N GLY A 25 -3.181 3.942 -4.805 1.00 0.00 N ATOM 332 CA GLY A 25 -2.857 4.980 -3.841 1.00 0.00 C ATOM 333 C GLY A 25 -3.546 6.298 -4.202 1.00 0.00 C ATOM 334 O GLY A 25 -4.272 6.372 -5.192 1.00 0.00 O ATOM 0 H GLY A 25 -2.519 3.854 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.166 4.665 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.777 5.127 -3.808 1.00 0.00 H new ATOM 338 N SER A 26 -3.292 7.305 -3.379 1.00 0.00 N ATOM 339 CA SER A 26 -3.879 8.616 -3.599 1.00 0.00 C ATOM 340 C SER A 26 -3.183 9.311 -4.771 1.00 0.00 C ATOM 341 O SER A 26 -3.786 10.136 -5.455 1.00 0.00 O ATOM 342 CB SER A 26 -3.786 9.480 -2.339 1.00 0.00 C ATOM 343 OG SER A 26 -3.884 10.870 -2.636 1.00 0.00 O ATOM 0 H SER A 26 -2.688 7.240 -2.560 1.00 0.00 H new ATOM 0 HA SER A 26 -4.934 8.482 -3.838 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.581 9.200 -1.648 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.841 9.283 -1.833 1.00 0.00 H new ATOM 0 HG SER A 26 -3.822 11.387 -1.806 1.00 0.00 H new ATOM 348 N ASP A 27 -1.922 8.952 -4.966 1.00 0.00 N ATOM 349 CA ASP A 27 -1.138 9.531 -6.043 1.00 0.00 C ATOM 350 C ASP A 27 -1.296 8.674 -7.301 1.00 0.00 C ATOM 351 O ASP A 27 -0.494 8.772 -8.228 1.00 0.00 O ATOM 352 CB ASP A 27 0.349 9.571 -5.682 1.00 0.00 C ATOM 353 CG ASP A 27 0.664 10.171 -4.311 1.00 0.00 C ATOM 354 OD1 ASP A 27 0.005 9.858 -3.309 1.00 0.00 O ATOM 355 OD2 ASP A 27 1.649 11.004 -4.294 1.00 0.00 O ATOM 0 H ASP A 27 -1.425 8.268 -4.396 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.496 10.547 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.744 8.556 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.877 10.145 -6.443 1.00 0.00 H new ATOM 360 N ASN A 28 -2.336 7.853 -7.291 1.00 0.00 N ATOM 361 CA ASN A 28 -2.610 6.979 -8.420 1.00 0.00 C ATOM 362 C ASN A 28 -1.499 5.931 -8.529 1.00 0.00 C ATOM 363 O ASN A 28 -1.097 5.561 -9.630 1.00 0.00 O ATOM 364 CB ASN A 28 -2.646 7.767 -9.731 1.00 0.00 C ATOM 365 CG ASN A 28 -3.197 6.909 -10.872 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.696 5.814 -10.673 1.00 0.00 O ATOM 367 ND2 ASN A 28 -3.079 7.467 -12.073 1.00 0.00 N ATOM 0 H ASN A 28 -2.999 7.774 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.580 6.509 -8.255 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.265 8.656 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.642 8.110 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.417 6.974 -12.900 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.650 8.388 -12.168 1.00 0.00 H new ATOM 373 N LYS A 29 -1.037 5.484 -7.371 1.00 0.00 N ATOM 374 CA LYS A 29 0.018 4.486 -7.323 1.00 0.00 C ATOM 375 C LYS A 29 -0.599 3.109 -7.071 1.00 0.00 C ATOM 376 O LYS A 29 -0.870 2.746 -5.927 1.00 0.00 O ATOM 377 CB LYS A 29 1.082 4.880 -6.296 1.00 0.00 C ATOM 378 CG LYS A 29 2.360 5.362 -6.986 1.00 0.00 C ATOM 379 CD LYS A 29 3.370 5.886 -5.965 1.00 0.00 C ATOM 380 CE LYS A 29 4.401 6.800 -6.633 1.00 0.00 C ATOM 381 NZ LYS A 29 5.772 6.298 -6.391 1.00 0.00 N ATOM 0 H LYS A 29 -1.373 5.794 -6.459 1.00 0.00 H new ATOM 0 HA LYS A 29 0.536 4.433 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.694 5.668 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.309 4.027 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.802 4.543 -7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.117 6.149 -7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.848 6.433 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.877 5.048 -5.487 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.210 6.851 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.304 7.813 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.459 6.929 -6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.957 6.272 -5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.865 5.340 -6.784 1.00 0.00 H new ATOM 391 N THR A 30 -0.804 2.379 -8.158 1.00 0.00 N ATOM 392 CA THR A 30 -1.384 1.050 -8.069 1.00 0.00 C ATOM 393 C THR A 30 -0.293 0.008 -7.816 1.00 0.00 C ATOM 394 O THR A 30 0.526 -0.265 -8.693 1.00 0.00 O ATOM 395 CB THR A 30 -2.182 0.796 -9.350 1.00 0.00 C ATOM 396 OG1 THR A 30 -3.404 1.499 -9.143 1.00 0.00 O ATOM 397 CG2 THR A 30 -2.612 -0.665 -9.493 1.00 0.00 C ATOM 0 H THR A 30 -0.579 2.683 -9.105 1.00 0.00 H new ATOM 0 HA THR A 30 -2.066 0.972 -7.223 1.00 0.00 H new ATOM 0 HB THR A 30 -1.582 1.083 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.215 2.451 -9.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.174 -0.790 -10.418 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.729 -1.304 -9.516 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.239 -0.944 -8.647 1.00 0.00 H new ATOM 405 N TYR A 31 -0.318 -0.547 -6.613 1.00 0.00 N ATOM 406 CA TYR A 31 0.659 -1.554 -6.233 1.00 0.00 C ATOM 407 C TYR A 31 0.040 -2.952 -6.251 1.00 0.00 C ATOM 408 O TYR A 31 -1.182 -3.095 -6.297 1.00 0.00 O ATOM 409 CB TYR A 31 1.080 -1.213 -4.803 1.00 0.00 C ATOM 410 CG TYR A 31 2.180 -0.153 -4.713 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.506 -0.528 -4.774 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.844 1.178 -4.571 1.00 0.00 C ATOM 413 CE1 TYR A 31 4.541 0.471 -4.690 1.00 0.00 C ATOM 414 CE2 TYR A 31 2.879 2.176 -4.486 1.00 0.00 C ATOM 415 CZ TYR A 31 4.176 1.773 -4.551 1.00 0.00 C ATOM 416 OH TYR A 31 5.153 2.716 -4.471 1.00 0.00 O ATOM 0 H TYR A 31 -0.999 -0.319 -5.889 1.00 0.00 H new ATOM 0 HA TYR A 31 1.499 -1.556 -6.927 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.207 -0.863 -4.252 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.425 -2.122 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.768 -1.570 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.806 1.471 -4.524 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.583 0.192 -4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.630 3.221 -4.373 1.00 0.00 H new ATOM 0 HH TYR A 31 5.154 3.256 -5.289 1.00 0.00 H new ATOM 425 N GLY A 32 0.910 -3.950 -6.213 1.00 0.00 N ATOM 426 CA GLY A 32 0.463 -5.334 -6.224 1.00 0.00 C ATOM 427 C GLY A 32 0.247 -5.851 -4.800 1.00 0.00 C ATOM 428 O GLY A 32 -0.680 -6.620 -4.550 1.00 0.00 O ATOM 0 H GLY A 32 1.922 -3.829 -6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.465 -5.416 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.201 -5.954 -6.732 1.00 0.00 H new ATOM 432 N ASN A 33 1.117 -5.408 -3.904 1.00 0.00 N ATOM 433 CA ASN A 33 1.032 -5.816 -2.512 1.00 0.00 C ATOM 434 C ASN A 33 1.041 -4.575 -1.619 1.00 0.00 C ATOM 435 O ASN A 33 1.589 -3.539 -1.997 1.00 0.00 O ATOM 436 CB ASN A 33 2.225 -6.690 -2.121 1.00 0.00 C ATOM 437 CG ASN A 33 1.761 -8.066 -1.637 1.00 0.00 C ATOM 438 OD1 ASN A 33 0.675 -8.528 -1.945 1.00 0.00 O ATOM 439 ND2 ASN A 33 2.644 -8.693 -0.864 1.00 0.00 N ATOM 0 H ASN A 33 1.885 -4.770 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 33 0.111 -6.384 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.891 -6.807 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.799 -6.198 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.429 -9.618 -0.491 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.536 -8.249 -0.645 1.00 0.00 H new ATOM 445 N LYS A 34 0.432 -4.718 -0.453 1.00 0.00 N ATOM 446 CA LYS A 34 0.364 -3.622 0.498 1.00 0.00 C ATOM 447 C LYS A 34 1.753 -3.381 1.093 1.00 0.00 C ATOM 448 O LYS A 34 2.036 -2.296 1.597 1.00 0.00 O ATOM 449 CB LYS A 34 -0.717 -3.888 1.548 1.00 0.00 C ATOM 450 CG LYS A 34 -0.171 -3.678 2.962 1.00 0.00 C ATOM 451 CD LYS A 34 -1.177 -4.150 4.013 1.00 0.00 C ATOM 452 CE LYS A 34 -0.483 -4.437 5.346 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.298 -5.361 6.166 1.00 0.00 N ATOM 0 H LYS A 34 -0.020 -5.578 -0.144 1.00 0.00 H new ATOM 0 HA LYS A 34 0.068 -2.701 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.564 -3.224 1.379 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.086 -4.908 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.765 -4.223 3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.053 -2.623 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.944 -3.389 4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.682 -5.050 3.660 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.500 -4.873 5.165 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.323 -3.505 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.813 -5.545 7.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.226 -4.931 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.429 -6.257 5.654 1.00 0.00 H new ATOM 463 N CYS A 35 2.582 -4.411 1.012 1.00 0.00 N ATOM 464 CA CYS A 35 3.935 -4.325 1.536 1.00 0.00 C ATOM 465 C CYS A 35 4.746 -3.403 0.623 1.00 0.00 C ATOM 466 O CYS A 35 5.399 -2.475 1.094 1.00 0.00 O ATOM 467 CB CYS A 35 4.578 -5.707 1.670 1.00 0.00 C ATOM 468 SG CYS A 35 5.165 -6.436 0.097 1.00 0.00 S ATOM 0 H CYS A 35 2.343 -5.309 0.592 1.00 0.00 H new ATOM 0 HA CYS A 35 3.913 -3.908 2.543 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.421 -5.635 2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.855 -6.386 2.122 1.00 0.00 H new ATOM 472 N ASN A 36 4.678 -3.694 -0.669 1.00 0.00 N ATOM 473 CA ASN A 36 5.399 -2.903 -1.652 1.00 0.00 C ATOM 474 C ASN A 36 4.927 -1.449 -1.576 1.00 0.00 C ATOM 475 O ASN A 36 5.739 -0.527 -1.626 1.00 0.00 O ATOM 476 CB ASN A 36 5.132 -3.413 -3.070 1.00 0.00 C ATOM 477 CG ASN A 36 6.252 -4.344 -3.538 1.00 0.00 C ATOM 478 OD1 ASN A 36 7.098 -3.984 -4.341 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.213 -5.556 -2.993 1.00 0.00 N ATOM 0 H ASN A 36 4.135 -4.466 -1.057 1.00 0.00 H new ATOM 0 HA ASN A 36 6.464 -2.982 -1.434 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.179 -3.942 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.047 -2.569 -3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.919 -6.249 -3.241 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.477 -5.792 -2.327 1.00 0.00 H new ATOM 485 N PHE A 37 3.618 -1.292 -1.456 1.00 0.00 N ATOM 486 CA PHE A 37 3.029 0.034 -1.372 1.00 0.00 C ATOM 487 C PHE A 37 3.467 0.749 -0.092 1.00 0.00 C ATOM 488 O PHE A 37 3.892 1.902 -0.136 1.00 0.00 O ATOM 489 CB PHE A 37 1.511 -0.151 -1.344 1.00 0.00 C ATOM 490 CG PHE A 37 0.744 1.068 -0.829 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.557 2.146 -1.637 1.00 0.00 C ATOM 492 CD2 PHE A 37 0.248 1.074 0.437 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.154 3.278 -1.158 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.465 2.206 0.916 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.650 3.284 0.108 1.00 0.00 C ATOM 0 H PHE A 37 2.948 -2.060 -1.415 1.00 0.00 H new ATOM 0 HA PHE A 37 3.350 0.637 -2.221 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.166 -0.386 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.272 -1.010 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.949 2.141 -2.643 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.396 0.218 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.301 4.134 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.860 2.210 1.921 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.191 4.145 0.472 1.00 0.00 H new ATOM 504 N CYS A 38 3.347 0.034 1.017 1.00 0.00 N ATOM 505 CA CYS A 38 3.725 0.585 2.307 1.00 0.00 C ATOM 506 C CYS A 38 5.210 0.950 2.257 1.00 0.00 C ATOM 507 O CYS A 38 5.626 1.954 2.835 1.00 0.00 O ATOM 508 CB CYS A 38 3.415 -0.384 3.449 1.00 0.00 C ATOM 509 SG CYS A 38 1.794 -0.122 4.259 1.00 0.00 S ATOM 0 H CYS A 38 2.993 -0.922 1.049 1.00 0.00 H new ATOM 0 HA CYS A 38 3.138 1.481 2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.452 -1.403 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.199 -0.300 4.201 1.00 0.00 H new ATOM 513 N ASN A 39 5.968 0.117 1.560 1.00 0.00 N ATOM 514 CA ASN A 39 7.398 0.339 1.427 1.00 0.00 C ATOM 515 C ASN A 39 7.641 1.724 0.821 1.00 0.00 C ATOM 516 O ASN A 39 8.553 2.436 1.235 1.00 0.00 O ATOM 517 CB ASN A 39 8.034 -0.700 0.502 1.00 0.00 C ATOM 518 CG ASN A 39 9.309 -1.276 1.119 1.00 0.00 C ATOM 519 OD1 ASN A 39 10.143 -0.569 1.660 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.414 -2.598 1.009 1.00 0.00 N ATOM 0 H ASN A 39 5.619 -0.713 1.081 1.00 0.00 H new ATOM 0 HA ASN A 39 7.845 0.260 2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.324 -1.504 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.266 -0.242 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.229 -3.078 1.390 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.679 -3.131 0.544 1.00 0.00 H new ATOM 526 N ALA A 40 6.806 2.063 -0.151 1.00 0.00 N ATOM 527 CA ALA A 40 6.917 3.348 -0.818 1.00 0.00 C ATOM 528 C ALA A 40 6.278 4.429 0.055 1.00 0.00 C ATOM 529 O ALA A 40 6.704 5.582 0.033 1.00 0.00 O ATOM 530 CB ALA A 40 6.274 3.262 -2.205 1.00 0.00 C ATOM 0 H ALA A 40 6.050 1.469 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 40 7.964 3.616 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.358 4.227 -2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.784 2.501 -2.796 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.222 2.996 -2.102 1.00 0.00 H new ATOM 536 N VAL A 41 5.264 4.017 0.802 1.00 0.00 N ATOM 537 CA VAL A 41 4.561 4.935 1.682 1.00 0.00 C ATOM 538 C VAL A 41 5.483 5.337 2.835 1.00 0.00 C ATOM 539 O VAL A 41 5.778 6.517 3.017 1.00 0.00 O ATOM 540 CB VAL A 41 3.249 4.306 2.155 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.517 5.231 3.130 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.355 3.943 0.968 1.00 0.00 C ATOM 0 H VAL A 41 4.913 3.060 0.816 1.00 0.00 H new ATOM 0 HA VAL A 41 4.294 5.847 1.148 1.00 0.00 H new ATOM 0 HB VAL A 41 3.492 3.385 2.685 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.588 4.760 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.148 5.417 3.999 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.293 6.176 2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.429 3.498 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.125 4.843 0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.873 3.229 0.327 1.00 0.00 H new ATOM 552 N VAL A 42 5.911 4.332 3.585 1.00 0.00 N ATOM 553 CA VAL A 42 6.792 4.565 4.717 1.00 0.00 C ATOM 554 C VAL A 42 8.030 5.330 4.244 1.00 0.00 C ATOM 555 O VAL A 42 8.633 6.077 5.012 1.00 0.00 O ATOM 556 CB VAL A 42 7.133 3.238 5.397 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.625 2.923 5.268 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.699 3.245 6.863 1.00 0.00 C ATOM 0 H VAL A 42 5.664 3.354 3.431 1.00 0.00 H new ATOM 0 HA VAL A 42 6.296 5.181 5.467 1.00 0.00 H new ATOM 0 HB VAL A 42 6.579 2.449 4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.840 1.974 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.892 2.854 4.214 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.206 3.716 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.953 2.290 7.322 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.212 4.049 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.622 3.401 6.923 1.00 0.00 H new ATOM 568 N GLU A 43 8.372 5.116 2.981 1.00 0.00 N ATOM 569 CA GLU A 43 9.527 5.775 2.396 1.00 0.00 C ATOM 570 C GLU A 43 9.168 7.204 1.980 1.00 0.00 C ATOM 571 O GLU A 43 10.035 8.075 1.925 1.00 0.00 O ATOM 572 CB GLU A 43 10.071 4.979 1.209 1.00 0.00 C ATOM 573 CG GLU A 43 11.177 4.019 1.654 1.00 0.00 C ATOM 574 CD GLU A 43 10.745 3.215 2.882 1.00 0.00 C ATOM 575 OE1 GLU A 43 10.368 2.041 2.750 1.00 0.00 O ATOM 576 OE2 GLU A 43 10.810 3.851 4.001 1.00 0.00 O ATOM 0 H GLU A 43 7.869 4.495 2.347 1.00 0.00 H new ATOM 0 HA GLU A 43 10.313 5.823 3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.262 4.417 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.460 5.663 0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.423 3.339 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 43 12.082 4.582 1.884 1.00 0.00 H new ATOM 582 N SER A 44 7.889 7.400 1.697 1.00 0.00 N ATOM 583 CA SER A 44 7.405 8.707 1.288 1.00 0.00 C ATOM 584 C SER A 44 6.962 9.509 2.513 1.00 0.00 C ATOM 585 O SER A 44 5.988 10.259 2.450 1.00 0.00 O ATOM 586 CB SER A 44 6.250 8.580 0.291 1.00 0.00 C ATOM 587 OG SER A 44 6.706 8.603 -1.059 1.00 0.00 O ATOM 0 H SER A 44 7.173 6.675 1.743 1.00 0.00 H new ATOM 0 HA SER A 44 8.221 9.233 0.793 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.712 7.650 0.476 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.543 9.395 0.449 1.00 0.00 H new ATOM 0 HG SER A 44 5.940 8.518 -1.664 1.00 0.00 H new ATOM 592 N ASN A 45 7.698 9.324 3.600 1.00 0.00 N ATOM 593 CA ASN A 45 7.393 10.021 4.838 1.00 0.00 C ATOM 594 C ASN A 45 5.962 9.687 5.267 1.00 0.00 C ATOM 595 O ASN A 45 5.378 10.390 6.089 1.00 0.00 O ATOM 596 CB ASN A 45 7.491 11.537 4.654 1.00 0.00 C ATOM 597 CG ASN A 45 7.473 12.254 6.006 1.00 0.00 C ATOM 598 OD1 ASN A 45 8.156 11.879 6.945 1.00 0.00 O ATOM 599 ND2 ASN A 45 6.657 13.303 6.051 1.00 0.00 N ATOM 0 H ASN A 45 8.505 8.701 3.649 1.00 0.00 H new ATOM 0 HA ASN A 45 8.113 9.702 5.592 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.408 11.784 4.119 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.661 11.887 4.041 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.575 13.849 6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.114 13.562 5.228 1.00 0.00 H new ATOM 605 N GLY A 46 5.441 8.615 4.689 1.00 0.00 N ATOM 606 CA GLY A 46 4.090 8.179 5.003 1.00 0.00 C ATOM 607 C GLY A 46 3.058 9.189 4.498 1.00 0.00 C ATOM 608 O GLY A 46 1.982 9.325 5.079 1.00 0.00 O ATOM 0 H GLY A 46 5.929 8.036 4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.903 7.205 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.985 8.054 6.081 1.00 0.00 H new ATOM 612 N THR A 47 3.422 9.873 3.422 1.00 0.00 N ATOM 613 CA THR A 47 2.541 10.867 2.833 1.00 0.00 C ATOM 614 C THR A 47 1.532 10.198 1.899 1.00 0.00 C ATOM 615 O THR A 47 0.390 10.643 1.791 1.00 0.00 O ATOM 616 CB THR A 47 3.411 11.916 2.138 1.00 0.00 C ATOM 617 OG1 THR A 47 2.510 12.986 1.863 1.00 0.00 O ATOM 618 CG2 THR A 47 3.883 11.463 0.755 1.00 0.00 C ATOM 0 H THR A 47 4.315 9.758 2.943 1.00 0.00 H new ATOM 0 HA THR A 47 1.946 11.370 3.595 1.00 0.00 H new ATOM 0 HB THR A 47 4.277 12.140 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.991 13.712 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.496 12.244 0.306 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.471 10.551 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.018 11.271 0.120 1.00 0.00 H new ATOM 626 N LEU A 48 1.989 9.140 1.246 1.00 0.00 N ATOM 627 CA LEU A 48 1.140 8.405 0.323 1.00 0.00 C ATOM 628 C LEU A 48 0.056 7.668 1.111 1.00 0.00 C ATOM 629 O LEU A 48 0.357 6.940 2.057 1.00 0.00 O ATOM 630 CB LEU A 48 1.984 7.489 -0.567 1.00 0.00 C ATOM 631 CG LEU A 48 1.231 6.354 -1.264 1.00 0.00 C ATOM 632 CD1 LEU A 48 0.250 6.902 -2.301 1.00 0.00 C ATOM 633 CD2 LEU A 48 2.206 5.343 -1.874 1.00 0.00 C ATOM 0 H LEU A 48 2.937 8.774 1.338 1.00 0.00 H new ATOM 0 HA LEU A 48 0.631 9.090 -0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.467 8.100 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.776 7.053 0.042 1.00 0.00 H new ATOM 0 HG LEU A 48 0.643 5.823 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.272 6.074 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.474 7.551 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.796 7.472 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.645 4.547 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.839 5.844 -2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.829 4.918 -1.087 1.00 0.00 H new ATOM 644 N THR A 49 -1.183 7.881 0.694 1.00 0.00 N ATOM 645 CA THR A 49 -2.314 7.246 1.349 1.00 0.00 C ATOM 646 C THR A 49 -2.993 6.256 0.401 1.00 0.00 C ATOM 647 O THR A 49 -2.890 6.388 -0.818 1.00 0.00 O ATOM 648 CB THR A 49 -3.249 8.347 1.850 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.710 8.980 0.659 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.504 9.456 2.595 1.00 0.00 C ATOM 0 H THR A 49 -1.429 8.485 -0.090 1.00 0.00 H new ATOM 0 HA THR A 49 -1.994 6.656 2.208 1.00 0.00 H new ATOM 0 HB THR A 49 -4.002 7.911 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.325 9.707 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.215 10.211 2.929 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.992 9.033 3.459 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.774 9.915 1.929 1.00 0.00 H new ATOM 658 N LEU A 50 -3.672 5.286 0.995 1.00 0.00 N ATOM 659 CA LEU A 50 -4.368 4.275 0.218 1.00 0.00 C ATOM 660 C LEU A 50 -5.732 4.817 -0.212 1.00 0.00 C ATOM 661 O LEU A 50 -6.569 5.140 0.630 1.00 0.00 O ATOM 662 CB LEU A 50 -4.447 2.961 0.999 1.00 0.00 C ATOM 663 CG LEU A 50 -5.266 1.843 0.349 1.00 0.00 C ATOM 664 CD1 LEU A 50 -6.764 2.073 0.550 1.00 0.00 C ATOM 665 CD2 LEU A 50 -4.903 1.686 -1.129 1.00 0.00 C ATOM 0 H LEU A 50 -3.755 5.179 2.006 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.814 4.046 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.433 2.595 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.870 3.170 1.982 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.016 0.904 0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.323 1.265 0.079 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.989 2.096 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.050 3.023 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.499 0.885 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.106 2.619 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.845 1.442 -1.220 1.00 0.00 H new ATOM 676 N SER A 51 -5.913 4.901 -1.521 1.00 0.00 N ATOM 677 CA SER A 51 -7.161 5.400 -2.074 1.00 0.00 C ATOM 678 C SER A 51 -8.234 4.311 -2.009 1.00 0.00 C ATOM 679 O SER A 51 -9.367 4.573 -1.607 1.00 0.00 O ATOM 680 CB SER A 51 -6.975 5.875 -3.516 1.00 0.00 C ATOM 681 OG SER A 51 -7.403 7.223 -3.693 1.00 0.00 O ATOM 0 H SER A 51 -5.216 4.632 -2.216 1.00 0.00 H new ATOM 0 HA SER A 51 -7.481 6.254 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.924 5.789 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.537 5.225 -4.187 1.00 0.00 H new ATOM 0 HG SER A 51 -7.267 7.490 -4.626 1.00 0.00 H new ATOM 686 N HIS A 52 -7.839 3.111 -2.409 1.00 0.00 N ATOM 687 CA HIS A 52 -8.752 1.981 -2.401 1.00 0.00 C ATOM 688 C HIS A 52 -8.020 0.726 -2.878 1.00 0.00 C ATOM 689 O HIS A 52 -6.889 0.807 -3.356 1.00 0.00 O ATOM 690 CB HIS A 52 -10.003 2.288 -3.227 1.00 0.00 C ATOM 691 CG HIS A 52 -9.721 2.579 -4.682 1.00 0.00 C ATOM 692 ND1 HIS A 52 -9.719 1.597 -5.657 1.00 0.00 N ATOM 693 CD2 HIS A 52 -9.436 3.752 -5.317 1.00 0.00 C ATOM 694 CE1 HIS A 52 -9.441 2.163 -6.821 1.00 0.00 C ATOM 695 NE2 HIS A 52 -9.265 3.499 -6.609 1.00 0.00 N ATOM 0 H HIS A 52 -6.899 2.897 -2.741 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.096 1.794 -1.384 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.686 1.441 -3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.515 3.144 -2.788 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.901 0.605 -5.505 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.362 4.722 -4.848 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.367 1.656 -7.772 1.00 0.00 H new ATOM 703 N PHE A 53 -8.694 -0.406 -2.731 1.00 0.00 N ATOM 704 CA PHE A 53 -8.121 -1.677 -3.142 1.00 0.00 C ATOM 705 C PHE A 53 -8.543 -2.033 -4.568 1.00 0.00 C ATOM 706 O PHE A 53 -9.532 -1.507 -5.076 1.00 0.00 O ATOM 707 CB PHE A 53 -8.658 -2.740 -2.182 1.00 0.00 C ATOM 708 CG PHE A 53 -7.874 -2.849 -0.872 1.00 0.00 C ATOM 709 CD1 PHE A 53 -6.636 -3.411 -0.866 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.416 -2.385 0.286 1.00 0.00 C ATOM 711 CE1 PHE A 53 -5.908 -3.513 0.349 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.688 -2.486 1.501 1.00 0.00 C ATOM 713 CZ PHE A 53 -6.450 -3.049 1.507 1.00 0.00 C ATOM 0 H PHE A 53 -9.631 -0.469 -2.333 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.033 -1.620 -3.118 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.699 -2.515 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.644 -3.708 -2.683 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.206 -3.780 -1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.400 -1.940 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.924 -3.959 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.117 -2.116 2.420 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.897 -3.128 2.431 1.00 0.00 H new ATOM 722 N GLY A 54 -7.773 -2.926 -5.174 1.00 0.00 N ATOM 723 CA GLY A 54 -8.055 -3.360 -6.531 1.00 0.00 C ATOM 724 C GLY A 54 -7.415 -2.417 -7.552 1.00 0.00 C ATOM 725 O GLY A 54 -7.381 -1.205 -7.347 1.00 0.00 O ATOM 0 H GLY A 54 -6.954 -3.360 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.678 -4.372 -6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.133 -3.395 -6.689 1.00 0.00 H new ATOM 729 N LYS A 55 -6.924 -3.010 -8.630 1.00 0.00 N ATOM 730 CA LYS A 55 -6.287 -2.238 -9.683 1.00 0.00 C ATOM 731 C LYS A 55 -7.071 -0.943 -9.907 1.00 0.00 C ATOM 732 O LYS A 55 -8.298 -0.962 -9.985 1.00 0.00 O ATOM 733 CB LYS A 55 -6.128 -3.086 -10.947 1.00 0.00 C ATOM 734 CG LYS A 55 -4.873 -3.958 -10.868 1.00 0.00 C ATOM 735 CD LYS A 55 -4.357 -4.307 -12.265 1.00 0.00 C ATOM 736 CE LYS A 55 -2.854 -4.049 -12.376 1.00 0.00 C ATOM 737 NZ LYS A 55 -2.587 -2.905 -13.275 1.00 0.00 N ATOM 0 H LYS A 55 -6.954 -4.016 -8.797 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.277 -1.953 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.006 -3.718 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.069 -2.436 -11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.097 -3.434 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.096 -4.873 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.567 -5.354 -12.482 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.887 -3.714 -13.011 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.440 -3.846 -11.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.354 -4.940 -12.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.561 -2.745 -13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.964 -3.112 -14.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.048 -2.052 -12.898 1.00 0.00 H new ATOM 747 N CYS A 56 -6.329 0.151 -10.003 1.00 0.00 N ATOM 748 CA CYS A 56 -6.940 1.452 -10.216 1.00 0.00 C ATOM 749 C CYS A 56 -8.047 1.298 -11.260 1.00 0.00 C ATOM 750 O CYS A 56 -9.017 2.055 -11.258 1.00 0.00 O ATOM 751 CB CYS A 56 -5.906 2.501 -10.630 1.00 0.00 C ATOM 752 SG CYS A 56 -5.591 3.802 -9.382 1.00 0.00 S ATOM 0 H CYS A 56 -5.311 0.163 -9.937 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.371 1.812 -9.282 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.966 1.996 -10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.240 2.976 -11.553 1.00 0.00 H new TER 756 CYS A 56