USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 420 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 50 THR OG1 : rot -89:sc= 0.374 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= -0.0854 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0199) USER MOD Single : A 1 MET N :NH3+ -174:sc= 1.64 (180deg=1.62) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0242 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.455 K(o=0.46,f=-0.42) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0126 X(o=-0.013,f=-0.013) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0.0081) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -122:sc= 1.28 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 42:sc= 0.0487 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.200 1.081 2.448 1.00 0.00 N ATOM 2 CA MET A 1 -15.989 0.031 1.437 1.00 0.00 C ATOM 3 C MET A 1 -15.397 -1.198 2.088 1.00 0.00 C ATOM 4 O MET A 1 -16.074 -2.226 2.163 1.00 0.00 O ATOM 5 CB MET A 1 -15.151 0.499 0.239 1.00 0.00 C ATOM 6 CG MET A 1 -15.122 -0.530 -0.894 1.00 0.00 C ATOM 7 SD MET A 1 -16.743 -0.968 -1.570 1.00 0.00 S ATOM 8 CE MET A 1 -17.163 0.565 -2.449 1.00 0.00 C ATOM 0 H1 MET A 1 -16.700 1.884 2.015 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.769 0.700 3.231 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.280 1.401 2.813 1.00 0.00 H new ATOM 0 HA MET A 1 -16.965 -0.221 1.023 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.555 1.438 -0.138 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.132 0.700 0.569 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.501 -0.142 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.640 -1.437 -0.529 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.105 0.433 -2.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.262 1.380 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.374 0.803 -3.162 1.00 0.00 H new ATOM 18 N GLY A 2 -14.149 -1.133 2.549 1.00 0.00 N ATOM 19 CA GLY A 2 -13.522 -2.267 3.176 1.00 0.00 C ATOM 20 C GLY A 2 -12.128 -1.910 3.638 1.00 0.00 C ATOM 21 O GLY A 2 -11.736 -0.741 3.623 1.00 0.00 O ATOM 0 H GLY A 2 -13.562 -0.301 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -14.120 -2.598 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.477 -3.100 2.474 1.00 0.00 H new ATOM 25 N THR A 3 -11.423 -2.933 4.097 1.00 0.00 N ATOM 26 CA THR A 3 -10.060 -2.855 4.574 1.00 0.00 C ATOM 27 C THR A 3 -9.134 -3.049 3.367 1.00 0.00 C ATOM 28 O THR A 3 -9.442 -3.830 2.464 1.00 0.00 O ATOM 29 CB THR A 3 -9.863 -3.892 5.700 1.00 0.00 C ATOM 30 OG1 THR A 3 -8.547 -3.893 6.220 1.00 0.00 O ATOM 31 CG2 THR A 3 -10.171 -5.335 5.286 1.00 0.00 C ATOM 0 H THR A 3 -11.805 -3.877 4.147 1.00 0.00 H new ATOM 0 HA THR A 3 -9.820 -1.887 5.014 1.00 0.00 H new ATOM 0 HB THR A 3 -10.581 -3.569 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.476 -4.565 6.930 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.008 -6.000 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.210 -5.407 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.515 -5.626 4.465 1.00 0.00 H new ATOM 39 N TYR A 4 -8.009 -2.339 3.350 1.00 0.00 N ATOM 40 CA TYR A 4 -6.990 -2.377 2.315 1.00 0.00 C ATOM 41 C TYR A 4 -5.664 -2.552 3.050 1.00 0.00 C ATOM 42 O TYR A 4 -5.379 -1.750 3.950 1.00 0.00 O ATOM 43 CB TYR A 4 -7.061 -1.091 1.476 1.00 0.00 C ATOM 44 CG TYR A 4 -8.382 -0.884 0.743 1.00 0.00 C ATOM 45 CD1 TYR A 4 -8.550 -1.394 -0.558 1.00 0.00 C ATOM 46 CD2 TYR A 4 -9.457 -0.211 1.362 1.00 0.00 C ATOM 47 CE1 TYR A 4 -9.774 -1.236 -1.235 1.00 0.00 C ATOM 48 CE2 TYR A 4 -10.681 -0.051 0.691 1.00 0.00 C ATOM 49 CZ TYR A 4 -10.845 -0.562 -0.612 1.00 0.00 C ATOM 50 OH TYR A 4 -12.034 -0.416 -1.254 1.00 0.00 O ATOM 0 H TYR A 4 -7.775 -1.688 4.100 1.00 0.00 H new ATOM 0 HA TYR A 4 -7.123 -3.195 1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.885 -0.236 2.129 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.253 -1.105 0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.734 -1.911 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.338 0.184 2.360 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.893 -1.631 -2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.498 0.464 1.175 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.173 -1.173 -1.861 1.00 0.00 H new ATOM 60 N LYS A 5 -4.830 -3.538 2.686 1.00 0.00 N ATOM 61 CA LYS A 5 -3.552 -3.754 3.385 1.00 0.00 C ATOM 62 C LYS A 5 -2.381 -3.186 2.563 1.00 0.00 C ATOM 63 O LYS A 5 -2.310 -3.374 1.350 1.00 0.00 O ATOM 64 CB LYS A 5 -3.468 -5.244 3.749 1.00 0.00 C ATOM 65 CG LYS A 5 -2.527 -5.533 4.921 1.00 0.00 C ATOM 66 CD LYS A 5 -2.574 -7.019 5.292 1.00 0.00 C ATOM 67 CE LYS A 5 -1.589 -7.296 6.429 1.00 0.00 C ATOM 68 NZ LYS A 5 -1.380 -8.743 6.622 1.00 0.00 N ATOM 0 H LYS A 5 -5.012 -4.190 1.923 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.488 -3.202 4.323 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.466 -5.606 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.132 -5.805 2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.508 -5.250 4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.812 -4.928 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.583 -7.296 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.324 -7.629 4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.635 -6.815 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.964 -6.855 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.707 -8.896 7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.287 -9.197 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.999 -9.158 5.748 1.00 0.00 H new ATOM 82 N LEU A 6 -1.471 -2.447 3.202 1.00 0.00 N ATOM 83 CA LEU A 6 -0.306 -1.786 2.597 1.00 0.00 C ATOM 84 C LEU A 6 1.016 -2.274 3.188 1.00 0.00 C ATOM 85 O LEU A 6 1.315 -1.964 4.334 1.00 0.00 O ATOM 86 CB LEU A 6 -0.426 -0.263 2.819 1.00 0.00 C ATOM 87 CG LEU A 6 -1.417 0.435 1.872 1.00 0.00 C ATOM 88 CD1 LEU A 6 -1.846 1.812 2.403 1.00 0.00 C ATOM 89 CD2 LEU A 6 -0.773 0.610 0.497 1.00 0.00 C ATOM 0 H LEU A 6 -1.527 -2.283 4.207 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.300 -2.031 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.734 -0.080 3.848 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.558 0.190 2.695 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.305 -0.193 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.546 2.270 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.328 1.694 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.969 2.450 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.476 1.105 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.127 1.217 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.511 -0.367 0.091 1.00 0.00 H new ATOM 101 N ILE A 7 1.805 -3.023 2.427 1.00 0.00 N ATOM 102 CA ILE A 7 3.116 -3.580 2.783 1.00 0.00 C ATOM 103 C ILE A 7 4.162 -3.100 1.780 1.00 0.00 C ATOM 104 O ILE A 7 3.994 -3.232 0.567 1.00 0.00 O ATOM 105 CB ILE A 7 3.074 -5.125 2.917 1.00 0.00 C ATOM 106 CG1 ILE A 7 4.507 -5.687 3.090 1.00 0.00 C ATOM 107 CG2 ILE A 7 2.376 -5.821 1.736 1.00 0.00 C ATOM 108 CD1 ILE A 7 4.577 -7.134 3.570 1.00 0.00 C ATOM 0 H ILE A 7 1.532 -3.278 1.478 1.00 0.00 H new ATOM 0 HA ILE A 7 3.401 -3.214 3.769 1.00 0.00 H new ATOM 0 HB ILE A 7 2.478 -5.341 3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.029 -5.610 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.045 -5.058 3.799 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.382 -6.899 1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.346 -5.471 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.904 -5.587 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.620 -7.437 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.089 -7.219 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.072 -7.780 2.852 1.00 0.00 H new ATOM 120 N LEU A 8 5.245 -2.536 2.310 1.00 0.00 N ATOM 121 CA LEU A 8 6.356 -2.004 1.544 1.00 0.00 C ATOM 122 C LEU A 8 7.604 -2.794 1.913 1.00 0.00 C ATOM 123 O LEU A 8 7.818 -3.108 3.090 1.00 0.00 O ATOM 124 CB LEU A 8 6.545 -0.505 1.845 1.00 0.00 C ATOM 125 CG LEU A 8 5.383 0.454 1.496 1.00 0.00 C ATOM 126 CD1 LEU A 8 4.858 0.237 0.071 1.00 0.00 C ATOM 127 CD2 LEU A 8 4.213 0.429 2.491 1.00 0.00 C ATOM 0 H LEU A 8 5.372 -2.436 3.317 1.00 0.00 H new ATOM 0 HA LEU A 8 6.161 -2.101 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.756 -0.401 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.432 -0.165 1.310 1.00 0.00 H new ATOM 0 HG LEU A 8 5.832 1.445 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.043 0.934 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.663 0.408 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.494 -0.785 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.445 1.131 2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.792 -0.576 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.571 0.713 3.481 1.00 0.00 H new ATOM 139 N ASN A 9 8.430 -3.109 0.915 1.00 0.00 N ATOM 140 CA ASN A 9 9.671 -3.853 1.076 1.00 0.00 C ATOM 141 C ASN A 9 10.778 -3.011 0.452 1.00 0.00 C ATOM 142 O ASN A 9 11.340 -3.354 -0.593 1.00 0.00 O ATOM 143 CB ASN A 9 9.581 -5.267 0.483 1.00 0.00 C ATOM 144 CG ASN A 9 8.401 -6.048 1.038 1.00 0.00 C ATOM 145 OD1 ASN A 9 8.418 -6.502 2.183 1.00 0.00 O ATOM 146 ND2 ASN A 9 7.358 -6.211 0.248 1.00 0.00 N ATOM 0 H ASN A 9 8.246 -2.845 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 9 9.886 -4.019 2.131 1.00 0.00 H new ATOM 0 HB2 ASN A 9 9.492 -5.199 -0.601 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.504 -5.807 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.541 -6.723 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.368 -5.825 -0.696 1.00 0.00 H new ATOM 153 N GLY A 10 11.013 -1.848 1.057 1.00 0.00 N ATOM 154 CA GLY A 10 12.029 -0.913 0.627 1.00 0.00 C ATOM 155 C GLY A 10 13.408 -1.507 0.883 1.00 0.00 C ATOM 156 O GLY A 10 13.586 -2.435 1.680 1.00 0.00 O ATOM 0 H GLY A 10 10.489 -1.532 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.908 -0.691 -0.433 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.922 0.029 1.164 1.00 0.00 H new ATOM 160 N LYS A 11 14.411 -0.933 0.226 1.00 0.00 N ATOM 161 CA LYS A 11 15.793 -1.379 0.346 1.00 0.00 C ATOM 162 C LYS A 11 16.329 -1.172 1.759 1.00 0.00 C ATOM 163 O LYS A 11 17.181 -1.946 2.201 1.00 0.00 O ATOM 164 CB LYS A 11 16.617 -0.644 -0.722 1.00 0.00 C ATOM 165 CG LYS A 11 18.127 -0.866 -0.599 1.00 0.00 C ATOM 166 CD LYS A 11 18.844 -0.351 -1.846 1.00 0.00 C ATOM 167 CE LYS A 11 20.341 -0.242 -1.564 1.00 0.00 C ATOM 168 NZ LYS A 11 21.127 -0.112 -2.801 1.00 0.00 N ATOM 0 H LYS A 11 14.287 -0.143 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 11 15.864 -2.453 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.290 -0.972 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.410 0.424 -0.656 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.506 -0.352 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 11 18.335 -1.927 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.669 -1.026 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.445 0.622 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.527 0.620 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.672 -1.124 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 22.137 -0.041 -2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.970 -0.946 -3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 20.830 0.743 -3.313 1.00 0.00 H new ATOM 182 N THR A 12 15.888 -0.130 2.463 1.00 0.00 N ATOM 183 CA THR A 12 16.342 0.171 3.817 1.00 0.00 C ATOM 184 C THR A 12 15.205 0.204 4.852 1.00 0.00 C ATOM 185 O THR A 12 15.483 0.121 6.045 1.00 0.00 O ATOM 186 CB THR A 12 17.222 1.435 3.730 1.00 0.00 C ATOM 187 OG1 THR A 12 18.072 1.596 4.847 1.00 0.00 O ATOM 188 CG2 THR A 12 16.403 2.708 3.511 1.00 0.00 C ATOM 0 H THR A 12 15.200 0.533 2.105 1.00 0.00 H new ATOM 0 HA THR A 12 16.954 -0.639 4.214 1.00 0.00 H new ATOM 0 HB THR A 12 17.850 1.277 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 12 18.606 2.410 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 12 17.072 3.567 3.457 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.844 2.625 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 12 15.708 2.841 4.340 1.00 0.00 H new ATOM 196 N LEU A 13 13.937 0.298 4.431 1.00 0.00 N ATOM 197 CA LEU A 13 12.774 0.347 5.316 1.00 0.00 C ATOM 198 C LEU A 13 11.757 -0.693 4.885 1.00 0.00 C ATOM 199 O LEU A 13 11.521 -0.863 3.692 1.00 0.00 O ATOM 200 CB LEU A 13 12.121 1.737 5.232 1.00 0.00 C ATOM 201 CG LEU A 13 12.812 2.775 6.129 1.00 0.00 C ATOM 202 CD1 LEU A 13 12.532 4.183 5.612 1.00 0.00 C ATOM 203 CD2 LEU A 13 12.304 2.665 7.570 1.00 0.00 C ATOM 0 H LEU A 13 13.689 0.343 3.443 1.00 0.00 H new ATOM 0 HA LEU A 13 13.098 0.147 6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.145 2.083 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.072 1.658 5.517 1.00 0.00 H new ATOM 0 HG LEU A 13 13.884 2.580 6.109 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.026 4.912 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.912 4.279 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.457 4.365 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.805 3.408 8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.228 2.840 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.517 1.668 7.956 1.00 0.00 H new ATOM 215 N LYS A 14 11.150 -1.393 5.844 1.00 0.00 N ATOM 216 CA LYS A 14 10.130 -2.403 5.578 1.00 0.00 C ATOM 217 C LYS A 14 9.064 -2.323 6.655 1.00 0.00 C ATOM 218 O LYS A 14 9.387 -2.064 7.823 1.00 0.00 O ATOM 219 CB LYS A 14 10.720 -3.820 5.534 1.00 0.00 C ATOM 220 CG LYS A 14 11.721 -4.026 4.388 1.00 0.00 C ATOM 221 CD LYS A 14 11.814 -5.512 4.030 1.00 0.00 C ATOM 222 CE LYS A 14 12.784 -5.726 2.863 1.00 0.00 C ATOM 223 NZ LYS A 14 12.902 -7.155 2.504 1.00 0.00 N ATOM 0 H LYS A 14 11.356 -1.272 6.836 1.00 0.00 H new ATOM 0 HA LYS A 14 9.698 -2.201 4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.216 -4.029 6.482 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.909 -4.541 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.409 -3.453 3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.702 -3.653 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.149 -6.080 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.827 -5.890 3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.441 -5.160 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.766 -5.336 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.567 -7.260 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.253 -7.691 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.969 -7.521 2.225 1.00 0.00 H new ATOM 237 N GLY A 15 7.812 -2.568 6.285 1.00 0.00 N ATOM 238 CA GLY A 15 6.682 -2.544 7.195 1.00 0.00 C ATOM 239 C GLY A 15 5.418 -3.003 6.481 1.00 0.00 C ATOM 240 O GLY A 15 5.443 -3.211 5.267 1.00 0.00 O ATOM 0 H GLY A 15 7.553 -2.793 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.881 -3.191 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.542 -1.536 7.585 1.00 0.00 H new ATOM 244 N GLU A 16 4.337 -3.205 7.235 1.00 0.00 N ATOM 245 CA GLU A 16 3.036 -3.624 6.734 1.00 0.00 C ATOM 246 C GLU A 16 1.937 -3.020 7.610 1.00 0.00 C ATOM 247 O GLU A 16 2.000 -3.118 8.841 1.00 0.00 O ATOM 248 CB GLU A 16 2.923 -5.157 6.646 1.00 0.00 C ATOM 249 CG GLU A 16 3.279 -5.959 7.911 1.00 0.00 C ATOM 250 CD GLU A 16 2.430 -7.228 8.018 1.00 0.00 C ATOM 251 OE1 GLU A 16 2.674 -8.204 7.277 1.00 0.00 O ATOM 252 OE2 GLU A 16 1.490 -7.226 8.852 1.00 0.00 O ATOM 0 H GLU A 16 4.348 -3.076 8.247 1.00 0.00 H new ATOM 0 HA GLU A 16 2.915 -3.253 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.900 -5.405 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.568 -5.498 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.336 -6.226 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.124 -5.339 8.794 1.00 0.00 H new ATOM 259 N THR A 17 0.922 -2.404 7.004 1.00 0.00 N ATOM 260 CA THR A 17 -0.193 -1.786 7.722 1.00 0.00 C ATOM 261 C THR A 17 -1.522 -2.127 7.047 1.00 0.00 C ATOM 262 O THR A 17 -1.555 -2.776 6.001 1.00 0.00 O ATOM 263 CB THR A 17 0.057 -0.274 7.914 1.00 0.00 C ATOM 264 OG1 THR A 17 -0.644 0.173 9.063 1.00 0.00 O ATOM 265 CG2 THR A 17 -0.310 0.601 6.713 1.00 0.00 C ATOM 0 H THR A 17 0.850 -2.319 5.990 1.00 0.00 H new ATOM 0 HA THR A 17 -0.261 -2.201 8.728 1.00 0.00 H new ATOM 0 HB THR A 17 1.135 -0.163 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.487 1.132 9.190 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.099 1.645 6.945 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.278 0.296 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.371 0.487 6.490 1.00 0.00 H new ATOM 273 N THR A 18 -2.627 -1.719 7.663 1.00 0.00 N ATOM 274 CA THR A 18 -3.979 -1.955 7.190 1.00 0.00 C ATOM 275 C THR A 18 -4.821 -0.729 7.562 1.00 0.00 C ATOM 276 O THR A 18 -4.568 -0.111 8.604 1.00 0.00 O ATOM 277 CB THR A 18 -4.431 -3.288 7.809 1.00 0.00 C ATOM 278 OG1 THR A 18 -5.473 -3.898 7.093 1.00 0.00 O ATOM 279 CG2 THR A 18 -4.829 -3.181 9.280 1.00 0.00 C ATOM 0 H THR A 18 -2.600 -1.196 8.538 1.00 0.00 H new ATOM 0 HA THR A 18 -4.077 -2.061 6.110 1.00 0.00 H new ATOM 0 HB THR A 18 -3.543 -3.917 7.746 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.720 -4.741 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.136 -4.161 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.979 -2.826 9.862 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.657 -2.480 9.383 1.00 0.00 H new ATOM 287 N THR A 19 -5.796 -0.363 6.728 1.00 0.00 N ATOM 288 CA THR A 19 -6.684 0.783 6.917 1.00 0.00 C ATOM 289 C THR A 19 -8.025 0.529 6.215 1.00 0.00 C ATOM 290 O THR A 19 -8.144 -0.424 5.445 1.00 0.00 O ATOM 291 CB THR A 19 -6.031 2.071 6.363 1.00 0.00 C ATOM 292 OG1 THR A 19 -5.522 1.886 5.055 1.00 0.00 O ATOM 293 CG2 THR A 19 -4.890 2.602 7.228 1.00 0.00 C ATOM 0 H THR A 19 -5.995 -0.877 5.870 1.00 0.00 H new ATOM 0 HA THR A 19 -6.860 0.915 7.985 1.00 0.00 H new ATOM 0 HB THR A 19 -6.841 2.800 6.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.119 2.722 4.739 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.482 3.506 6.777 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.266 2.832 8.225 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.107 1.847 7.301 1.00 0.00 H new ATOM 301 N GLU A 20 -9.039 1.342 6.517 1.00 0.00 N ATOM 302 CA GLU A 20 -10.388 1.317 5.955 1.00 0.00 C ATOM 303 C GLU A 20 -10.593 2.576 5.103 1.00 0.00 C ATOM 304 O GLU A 20 -10.019 3.625 5.419 1.00 0.00 O ATOM 305 CB GLU A 20 -11.459 1.361 7.059 1.00 0.00 C ATOM 306 CG GLU A 20 -11.652 0.076 7.865 1.00 0.00 C ATOM 307 CD GLU A 20 -12.977 0.152 8.632 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.035 -0.150 8.028 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.989 0.519 9.829 1.00 0.00 O ATOM 0 H GLU A 20 -8.931 2.085 7.207 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.487 0.399 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.205 2.164 7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.412 1.624 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.653 -0.787 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.823 -0.058 8.560 1.00 0.00 H new ATOM 316 N ALA A 21 -11.405 2.494 4.043 1.00 0.00 N ATOM 317 CA ALA A 21 -11.725 3.619 3.166 1.00 0.00 C ATOM 318 C ALA A 21 -13.208 3.537 2.792 1.00 0.00 C ATOM 319 O ALA A 21 -13.734 2.437 2.585 1.00 0.00 O ATOM 320 CB ALA A 21 -10.841 3.603 1.913 1.00 0.00 C ATOM 0 H ALA A 21 -11.865 1.626 3.768 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.530 4.557 3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.098 4.449 1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.793 3.674 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.003 2.675 1.365 1.00 0.00 H new ATOM 326 N VAL A 22 -13.873 4.691 2.659 1.00 0.00 N ATOM 327 CA VAL A 22 -15.295 4.769 2.312 1.00 0.00 C ATOM 328 C VAL A 22 -15.552 4.134 0.943 1.00 0.00 C ATOM 329 O VAL A 22 -16.498 3.363 0.798 1.00 0.00 O ATOM 330 CB VAL A 22 -15.829 6.215 2.414 1.00 0.00 C ATOM 331 CG1 VAL A 22 -15.797 6.703 3.866 1.00 0.00 C ATOM 332 CG2 VAL A 22 -15.072 7.237 1.555 1.00 0.00 C ATOM 0 H VAL A 22 -13.435 5.603 2.790 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.859 4.190 3.043 1.00 0.00 H new ATOM 0 HB VAL A 22 -16.848 6.158 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -16.177 7.723 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -16.419 6.054 4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.772 6.680 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.515 8.224 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.026 7.264 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.137 6.950 0.506 1.00 0.00 H new ATOM 342 N ASP A 23 -14.691 4.412 -0.033 1.00 0.00 N ATOM 343 CA ASP A 23 -14.691 3.924 -1.410 1.00 0.00 C ATOM 344 C ASP A 23 -13.226 3.948 -1.863 1.00 0.00 C ATOM 345 O ASP A 23 -12.406 4.668 -1.270 1.00 0.00 O ATOM 346 CB ASP A 23 -15.609 4.773 -2.306 1.00 0.00 C ATOM 347 CG ASP A 23 -15.468 4.381 -3.776 1.00 0.00 C ATOM 348 OD1 ASP A 23 -14.575 4.930 -4.454 1.00 0.00 O ATOM 349 OD2 ASP A 23 -16.198 3.473 -4.235 1.00 0.00 O ATOM 0 H ASP A 23 -13.905 5.041 0.135 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.093 2.913 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.645 4.647 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.365 5.828 -2.184 1.00 0.00 H new ATOM 354 N ALA A 24 -12.887 3.177 -2.896 1.00 0.00 N ATOM 355 CA ALA A 24 -11.542 3.081 -3.440 1.00 0.00 C ATOM 356 C ALA A 24 -10.960 4.428 -3.893 1.00 0.00 C ATOM 357 O ALA A 24 -9.739 4.555 -3.923 1.00 0.00 O ATOM 358 CB ALA A 24 -11.533 2.077 -4.592 1.00 0.00 C ATOM 0 H ALA A 24 -13.561 2.589 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.895 2.738 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.526 2.003 -5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.849 1.100 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.218 2.411 -5.371 1.00 0.00 H new ATOM 364 N ALA A 25 -11.779 5.450 -4.176 1.00 0.00 N ATOM 365 CA ALA A 25 -11.302 6.764 -4.608 1.00 0.00 C ATOM 366 C ALA A 25 -10.286 7.359 -3.621 1.00 0.00 C ATOM 367 O ALA A 25 -9.317 7.997 -4.038 1.00 0.00 O ATOM 368 CB ALA A 25 -12.491 7.710 -4.816 1.00 0.00 C ATOM 0 H ALA A 25 -12.795 5.385 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.781 6.638 -5.557 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.128 8.686 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.153 7.300 -5.579 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.039 7.817 -3.880 1.00 0.00 H new ATOM 374 N THR A 26 -10.531 7.234 -2.314 1.00 0.00 N ATOM 375 CA THR A 26 -9.625 7.733 -1.278 1.00 0.00 C ATOM 376 C THR A 26 -8.447 6.765 -1.113 1.00 0.00 C ATOM 377 O THR A 26 -7.320 7.206 -0.879 1.00 0.00 O ATOM 378 CB THR A 26 -10.372 7.910 0.058 1.00 0.00 C ATOM 379 OG1 THR A 26 -11.567 8.638 -0.146 1.00 0.00 O ATOM 380 CG2 THR A 26 -9.555 8.638 1.129 1.00 0.00 C ATOM 0 H THR A 26 -11.367 6.782 -1.944 1.00 0.00 H new ATOM 0 HA THR A 26 -9.243 8.708 -1.582 1.00 0.00 H new ATOM 0 HB THR A 26 -10.572 6.901 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.035 8.744 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 26 -10.146 8.725 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.646 8.075 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.291 9.633 0.771 1.00 0.00 H new ATOM 388 N ALA A 27 -8.709 5.456 -1.213 1.00 0.00 N ATOM 389 CA ALA A 27 -7.707 4.415 -1.065 1.00 0.00 C ATOM 390 C ALA A 27 -6.594 4.581 -2.102 1.00 0.00 C ATOM 391 O ALA A 27 -5.424 4.648 -1.747 1.00 0.00 O ATOM 392 CB ALA A 27 -8.367 3.034 -1.152 1.00 0.00 C ATOM 0 H ALA A 27 -9.643 5.093 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.245 4.504 -0.082 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.608 2.260 -1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.107 2.934 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.856 2.925 -2.120 1.00 0.00 H new ATOM 398 N GLU A 28 -6.943 4.738 -3.378 1.00 0.00 N ATOM 399 CA GLU A 28 -5.973 4.892 -4.455 1.00 0.00 C ATOM 400 C GLU A 28 -4.998 6.051 -4.189 1.00 0.00 C ATOM 401 O GLU A 28 -3.814 5.963 -4.532 1.00 0.00 O ATOM 402 CB GLU A 28 -6.734 5.041 -5.776 1.00 0.00 C ATOM 403 CG GLU A 28 -5.800 4.838 -6.970 1.00 0.00 C ATOM 404 CD GLU A 28 -6.578 4.843 -8.280 1.00 0.00 C ATOM 405 OE1 GLU A 28 -7.344 3.890 -8.535 1.00 0.00 O ATOM 406 OE2 GLU A 28 -6.396 5.792 -9.078 1.00 0.00 O ATOM 0 H GLU A 28 -7.913 4.762 -3.693 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.344 4.004 -4.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.546 4.315 -5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.189 6.030 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.048 5.627 -6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.267 3.893 -6.863 1.00 0.00 H new ATOM 413 N LYS A 29 -5.487 7.135 -3.578 1.00 0.00 N ATOM 414 CA LYS A 29 -4.680 8.301 -3.235 1.00 0.00 C ATOM 415 C LYS A 29 -3.817 7.987 -2.017 1.00 0.00 C ATOM 416 O LYS A 29 -2.609 8.243 -2.056 1.00 0.00 O ATOM 417 CB LYS A 29 -5.574 9.514 -2.955 1.00 0.00 C ATOM 418 CG LYS A 29 -6.246 10.044 -4.229 1.00 0.00 C ATOM 419 CD LYS A 29 -7.166 11.209 -3.864 1.00 0.00 C ATOM 420 CE LYS A 29 -7.650 11.949 -5.113 1.00 0.00 C ATOM 421 NZ LYS A 29 -8.783 12.842 -4.802 1.00 0.00 N ATOM 0 H LYS A 29 -6.466 7.224 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.034 8.543 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.340 9.239 -2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.977 10.307 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.491 10.371 -4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.818 9.250 -4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.024 10.836 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.636 11.902 -3.211 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.830 12.531 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.951 11.227 -5.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.089 13.330 -5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.573 12.282 -4.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.487 13.545 -4.095 1.00 0.00 H new ATOM 435 N VAL A 30 -4.411 7.443 -0.942 1.00 0.00 N ATOM 436 CA VAL A 30 -3.658 7.116 0.265 1.00 0.00 C ATOM 437 C VAL A 30 -2.531 6.151 -0.068 1.00 0.00 C ATOM 438 O VAL A 30 -1.473 6.271 0.529 1.00 0.00 O ATOM 439 CB VAL A 30 -4.526 6.658 1.461 1.00 0.00 C ATOM 440 CG1 VAL A 30 -4.822 5.156 1.536 1.00 0.00 C ATOM 441 CG2 VAL A 30 -3.843 7.059 2.782 1.00 0.00 C ATOM 0 H VAL A 30 -5.406 7.224 -0.891 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.216 8.046 0.624 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.482 7.157 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.437 4.950 2.412 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.355 4.845 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.885 4.604 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.457 6.735 3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.864 6.584 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.724 8.142 2.816 1.00 0.00 H new ATOM 451 N PHE A 31 -2.693 5.244 -1.035 1.00 0.00 N ATOM 452 CA PHE A 31 -1.640 4.301 -1.379 1.00 0.00 C ATOM 453 C PHE A 31 -0.352 5.036 -1.750 1.00 0.00 C ATOM 454 O PHE A 31 0.708 4.661 -1.257 1.00 0.00 O ATOM 455 CB PHE A 31 -2.106 3.414 -2.539 1.00 0.00 C ATOM 456 CG PHE A 31 -3.305 2.515 -2.292 1.00 0.00 C ATOM 457 CD1 PHE A 31 -3.787 2.241 -0.993 1.00 0.00 C ATOM 458 CD2 PHE A 31 -3.961 1.957 -3.403 1.00 0.00 C ATOM 459 CE1 PHE A 31 -4.918 1.432 -0.810 1.00 0.00 C ATOM 460 CE2 PHE A 31 -5.099 1.159 -3.219 1.00 0.00 C ATOM 461 CZ PHE A 31 -5.577 0.894 -1.924 1.00 0.00 C ATOM 0 H PHE A 31 -3.544 5.147 -1.589 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.429 3.675 -0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.338 4.060 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.269 2.784 -2.839 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.281 2.657 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.588 2.143 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.280 1.224 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.611 0.746 -4.076 1.00 0.00 H new ATOM 0 HZ PHE A 31 -6.452 0.276 -1.787 1.00 0.00 H new ATOM 471 N LYS A 32 -0.416 6.102 -2.558 1.00 0.00 N ATOM 472 CA LYS A 32 0.795 6.834 -2.925 1.00 0.00 C ATOM 473 C LYS A 32 1.315 7.624 -1.729 1.00 0.00 C ATOM 474 O LYS A 32 2.494 7.529 -1.404 1.00 0.00 O ATOM 475 CB LYS A 32 0.540 7.768 -4.121 1.00 0.00 C ATOM 476 CG LYS A 32 1.854 8.434 -4.566 1.00 0.00 C ATOM 477 CD LYS A 32 1.682 9.256 -5.845 1.00 0.00 C ATOM 478 CE LYS A 32 3.067 9.645 -6.371 1.00 0.00 C ATOM 479 NZ LYS A 32 3.040 10.092 -7.778 1.00 0.00 N ATOM 0 H LYS A 32 -1.278 6.469 -2.962 1.00 0.00 H new ATOM 0 HA LYS A 32 1.553 6.110 -3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.112 7.202 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.188 8.531 -3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.220 9.080 -3.768 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.611 7.667 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.142 8.678 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.090 10.149 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.476 10.441 -5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.739 8.791 -6.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.003 10.342 -8.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.676 9.325 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.422 10.924 -7.866 1.00 0.00 H new ATOM 493 N GLN A 33 0.435 8.371 -1.064 1.00 0.00 N ATOM 494 CA GLN A 33 0.785 9.205 0.076 1.00 0.00 C ATOM 495 C GLN A 33 1.421 8.401 1.213 1.00 0.00 C ATOM 496 O GLN A 33 2.492 8.765 1.694 1.00 0.00 O ATOM 497 CB GLN A 33 -0.513 9.887 0.538 1.00 0.00 C ATOM 498 CG GLN A 33 -0.369 10.765 1.785 1.00 0.00 C ATOM 499 CD GLN A 33 -1.733 11.303 2.198 1.00 0.00 C ATOM 500 OE1 GLN A 33 -2.296 12.169 1.534 1.00 0.00 O ATOM 501 NE2 GLN A 33 -2.333 10.782 3.253 1.00 0.00 N ATOM 0 H GLN A 33 -0.554 8.412 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 33 1.536 9.939 -0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.895 10.500 -0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.260 9.118 0.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.066 10.186 2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.312 11.592 1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.864 10.063 3.803 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.266 11.099 3.517 1.00 0.00 H new ATOM 510 N TYR A 34 0.785 7.311 1.627 1.00 0.00 N ATOM 511 CA TYR A 34 1.238 6.448 2.697 1.00 0.00 C ATOM 512 C TYR A 34 2.537 5.754 2.320 1.00 0.00 C ATOM 513 O TYR A 34 3.512 5.843 3.059 1.00 0.00 O ATOM 514 CB TYR A 34 0.159 5.411 3.046 1.00 0.00 C ATOM 515 CG TYR A 34 0.652 4.473 4.120 1.00 0.00 C ATOM 516 CD1 TYR A 34 1.108 3.186 3.790 1.00 0.00 C ATOM 517 CD2 TYR A 34 0.814 4.967 5.422 1.00 0.00 C ATOM 518 CE1 TYR A 34 1.794 2.416 4.737 1.00 0.00 C ATOM 519 CE2 TYR A 34 1.516 4.212 6.377 1.00 0.00 C ATOM 520 CZ TYR A 34 2.037 2.946 6.025 1.00 0.00 C ATOM 521 OH TYR A 34 2.758 2.217 6.917 1.00 0.00 O ATOM 0 H TYR A 34 -0.091 6.998 1.208 1.00 0.00 H new ATOM 0 HA TYR A 34 1.424 7.066 3.575 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.744 5.918 3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.109 4.843 2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.929 2.789 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.399 5.927 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.136 1.423 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.657 4.598 7.376 1.00 0.00 H new ATOM 0 HH TYR A 34 2.840 2.716 7.757 1.00 0.00 H new ATOM 531 N ALA A 35 2.570 5.065 1.175 1.00 0.00 N ATOM 532 CA ALA A 35 3.769 4.360 0.752 1.00 0.00 C ATOM 533 C ALA A 35 4.957 5.316 0.653 1.00 0.00 C ATOM 534 O ALA A 35 6.055 4.966 1.069 1.00 0.00 O ATOM 535 CB ALA A 35 3.499 3.641 -0.562 1.00 0.00 C ATOM 0 H ALA A 35 1.782 4.985 0.533 1.00 0.00 H new ATOM 0 HA ALA A 35 4.033 3.612 1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.398 3.113 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.687 2.927 -0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.218 4.368 -1.324 1.00 0.00 H new ATOM 541 N ASN A 36 4.747 6.536 0.154 1.00 0.00 N ATOM 542 CA ASN A 36 5.803 7.532 0.033 1.00 0.00 C ATOM 543 C ASN A 36 6.471 7.823 1.381 1.00 0.00 C ATOM 544 O ASN A 36 7.666 8.103 1.414 1.00 0.00 O ATOM 545 CB ASN A 36 5.232 8.812 -0.577 1.00 0.00 C ATOM 546 CG ASN A 36 6.188 9.973 -0.382 1.00 0.00 C ATOM 547 OD1 ASN A 36 5.971 10.810 0.499 1.00 0.00 O ATOM 548 ND2 ASN A 36 7.244 10.023 -1.173 1.00 0.00 N ATOM 0 H ASN A 36 3.837 6.857 -0.177 1.00 0.00 H new ATOM 0 HA ASN A 36 6.575 7.132 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.046 8.662 -1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.272 9.044 -0.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.923 10.777 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.381 9.308 -1.887 1.00 0.00 H new ATOM 555 N ASP A 37 5.726 7.756 2.488 1.00 0.00 N ATOM 556 CA ASP A 37 6.266 8.012 3.827 1.00 0.00 C ATOM 557 C ASP A 37 7.328 6.978 4.211 1.00 0.00 C ATOM 558 O ASP A 37 8.203 7.254 5.025 1.00 0.00 O ATOM 559 CB ASP A 37 5.134 8.003 4.858 1.00 0.00 C ATOM 560 CG ASP A 37 5.611 8.534 6.204 1.00 0.00 C ATOM 561 OD1 ASP A 37 5.740 9.774 6.348 1.00 0.00 O ATOM 562 OD2 ASP A 37 5.806 7.726 7.140 1.00 0.00 O ATOM 0 H ASP A 37 4.733 7.523 2.482 1.00 0.00 H new ATOM 0 HA ASP A 37 6.741 8.993 3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.305 8.612 4.497 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.756 6.988 4.978 1.00 0.00 H new ATOM 567 N ASN A 38 7.266 5.789 3.606 1.00 0.00 N ATOM 568 CA ASN A 38 8.166 4.650 3.791 1.00 0.00 C ATOM 569 C ASN A 38 9.423 4.813 2.899 1.00 0.00 C ATOM 570 O ASN A 38 10.300 3.952 2.888 1.00 0.00 O ATOM 571 CB ASN A 38 7.332 3.382 3.506 1.00 0.00 C ATOM 572 CG ASN A 38 7.878 2.041 3.989 1.00 0.00 C ATOM 573 OD1 ASN A 38 8.744 1.430 3.380 1.00 0.00 O ATOM 574 ND2 ASN A 38 7.244 1.468 5.002 1.00 0.00 N ATOM 0 H ASN A 38 6.534 5.584 2.926 1.00 0.00 H new ATOM 0 HA ASN A 38 8.560 4.579 4.805 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.348 3.522 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.186 3.314 2.428 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.478 0.514 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.522 1.981 5.508 1.00 0.00 H new ATOM 581 N GLY A 39 9.538 5.920 2.141 1.00 0.00 N ATOM 582 CA GLY A 39 10.676 6.219 1.268 1.00 0.00 C ATOM 583 C GLY A 39 10.797 5.241 0.102 1.00 0.00 C ATOM 584 O GLY A 39 11.901 4.830 -0.252 1.00 0.00 O ATOM 0 H GLY A 39 8.821 6.646 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.573 7.232 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.595 6.195 1.854 1.00 0.00 H new ATOM 588 N VAL A 40 9.674 4.865 -0.499 1.00 0.00 N ATOM 589 CA VAL A 40 9.584 3.898 -1.592 1.00 0.00 C ATOM 590 C VAL A 40 9.779 4.375 -3.032 1.00 0.00 C ATOM 591 O VAL A 40 9.340 5.465 -3.413 1.00 0.00 O ATOM 592 CB VAL A 40 8.183 3.271 -1.549 1.00 0.00 C ATOM 593 CG1 VAL A 40 7.952 2.541 -0.231 1.00 0.00 C ATOM 594 CG2 VAL A 40 7.091 4.340 -1.782 1.00 0.00 C ATOM 0 H VAL A 40 8.764 5.239 -0.229 1.00 0.00 H new ATOM 0 HA VAL A 40 10.429 3.238 -1.398 1.00 0.00 H new ATOM 0 HB VAL A 40 8.119 2.541 -2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.953 2.106 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.693 1.749 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.045 3.245 0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.108 3.870 -1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.157 5.102 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.237 4.803 -2.758 1.00 0.00 H new ATOM 604 N ASP A 41 10.454 3.547 -3.826 1.00 0.00 N ATOM 605 CA ASP A 41 10.725 3.682 -5.251 1.00 0.00 C ATOM 606 C ASP A 41 10.564 2.281 -5.874 1.00 0.00 C ATOM 607 O ASP A 41 11.538 1.531 -5.915 1.00 0.00 O ATOM 608 CB ASP A 41 12.083 4.336 -5.506 1.00 0.00 C ATOM 609 CG ASP A 41 12.188 4.802 -6.951 1.00 0.00 C ATOM 610 OD1 ASP A 41 12.728 5.908 -7.199 1.00 0.00 O ATOM 611 OD2 ASP A 41 11.682 4.124 -7.869 1.00 0.00 O ATOM 0 H ASP A 41 10.860 2.689 -3.453 1.00 0.00 H new ATOM 0 HA ASP A 41 10.019 4.359 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.217 5.184 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.881 3.627 -5.288 1.00 0.00 H new ATOM 616 N GLY A 42 9.367 1.856 -6.303 1.00 0.00 N ATOM 617 CA GLY A 42 9.202 0.508 -6.869 1.00 0.00 C ATOM 618 C GLY A 42 7.893 0.255 -7.623 1.00 0.00 C ATOM 619 O GLY A 42 7.113 1.178 -7.874 1.00 0.00 O ATOM 0 H GLY A 42 8.513 2.413 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.033 0.316 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.278 -0.217 -6.059 1.00 0.00 H new ATOM 623 N GLU A 43 7.682 -1.005 -7.997 1.00 0.00 N ATOM 624 CA GLU A 43 6.552 -1.559 -8.746 1.00 0.00 C ATOM 625 C GLU A 43 5.455 -2.036 -7.798 1.00 0.00 C ATOM 626 O GLU A 43 5.757 -2.447 -6.673 1.00 0.00 O ATOM 627 CB GLU A 43 7.000 -2.689 -9.699 1.00 0.00 C ATOM 628 CG GLU A 43 7.489 -4.005 -9.057 1.00 0.00 C ATOM 629 CD GLU A 43 7.295 -5.216 -9.986 1.00 0.00 C ATOM 630 OE1 GLU A 43 6.138 -5.485 -10.390 1.00 0.00 O ATOM 631 OE2 GLU A 43 8.278 -5.939 -10.271 1.00 0.00 O ATOM 0 H GLU A 43 8.358 -1.732 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 43 6.141 -0.761 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.165 -2.925 -10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.802 -2.302 -10.327 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.544 -3.912 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.949 -4.175 -8.125 1.00 0.00 H new ATOM 638 N TRP A 44 4.193 -1.981 -8.231 1.00 0.00 N ATOM 639 CA TRP A 44 3.038 -2.378 -7.432 1.00 0.00 C ATOM 640 C TRP A 44 2.349 -3.639 -7.942 1.00 0.00 C ATOM 641 O TRP A 44 2.051 -3.746 -9.133 1.00 0.00 O ATOM 642 CB TRP A 44 2.034 -1.220 -7.389 1.00 0.00 C ATOM 643 CG TRP A 44 2.465 -0.064 -6.544 1.00 0.00 C ATOM 644 CD1 TRP A 44 3.610 0.633 -6.697 1.00 0.00 C ATOM 645 CD2 TRP A 44 1.838 0.463 -5.339 1.00 0.00 C ATOM 646 NE1 TRP A 44 3.773 1.495 -5.644 1.00 0.00 N ATOM 647 CE2 TRP A 44 2.684 1.472 -4.795 1.00 0.00 C ATOM 648 CE3 TRP A 44 0.660 0.159 -4.626 1.00 0.00 C ATOM 649 CZ2 TRP A 44 2.361 2.142 -3.606 1.00 0.00 C ATOM 650 CZ3 TRP A 44 0.353 0.787 -3.408 1.00 0.00 C ATOM 651 CH2 TRP A 44 1.207 1.776 -2.895 1.00 0.00 C ATOM 0 H TRP A 44 3.944 -1.653 -9.164 1.00 0.00 H new ATOM 0 HA TRP A 44 3.407 -2.612 -6.433 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.860 -0.867 -8.406 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.081 -1.594 -7.014 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.295 0.528 -7.525 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.596 2.081 -5.505 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.023 -0.575 -5.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.996 2.935 -3.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.539 0.509 -2.867 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.977 2.255 -1.955 1.00 0.00 H new ATOM 662 N THR A 45 2.043 -4.540 -7.009 1.00 0.00 N ATOM 663 CA THR A 45 1.357 -5.818 -7.178 1.00 0.00 C ATOM 664 C THR A 45 0.160 -5.781 -6.209 1.00 0.00 C ATOM 665 O THR A 45 0.208 -5.039 -5.220 1.00 0.00 O ATOM 666 CB THR A 45 2.339 -6.966 -6.873 1.00 0.00 C ATOM 667 OG1 THR A 45 3.531 -6.801 -7.608 1.00 0.00 O ATOM 668 CG2 THR A 45 1.784 -8.347 -7.233 1.00 0.00 C ATOM 0 H THR A 45 2.290 -4.379 -6.033 1.00 0.00 H new ATOM 0 HA THR A 45 1.001 -5.984 -8.195 1.00 0.00 H new ATOM 0 HB THR A 45 2.513 -6.921 -5.798 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.146 -7.536 -7.403 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.524 -9.110 -6.994 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.874 -8.533 -6.663 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.558 -8.382 -8.299 1.00 0.00 H new ATOM 676 N TYR A 46 -0.904 -6.557 -6.438 1.00 0.00 N ATOM 677 CA TYR A 46 -2.083 -6.557 -5.570 1.00 0.00 C ATOM 678 C TYR A 46 -2.636 -7.961 -5.338 1.00 0.00 C ATOM 679 O TYR A 46 -2.624 -8.791 -6.250 1.00 0.00 O ATOM 680 CB TYR A 46 -3.148 -5.674 -6.222 1.00 0.00 C ATOM 681 CG TYR A 46 -4.483 -5.654 -5.508 1.00 0.00 C ATOM 682 CD1 TYR A 46 -4.559 -5.187 -4.185 1.00 0.00 C ATOM 683 CD2 TYR A 46 -5.650 -6.076 -6.174 1.00 0.00 C ATOM 684 CE1 TYR A 46 -5.805 -5.069 -3.553 1.00 0.00 C ATOM 685 CE2 TYR A 46 -6.899 -5.975 -5.541 1.00 0.00 C ATOM 686 CZ TYR A 46 -6.977 -5.444 -4.236 1.00 0.00 C ATOM 687 OH TYR A 46 -8.181 -5.231 -3.646 1.00 0.00 O ATOM 0 H TYR A 46 -0.971 -7.200 -7.227 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.797 -6.171 -4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.768 -4.654 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.305 -6.014 -7.246 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.657 -4.919 -3.655 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.584 -6.478 -7.174 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -5.865 -4.691 -2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.794 -6.302 -6.049 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.661 -6.082 -3.566 1.00 0.00 H new ATOM 697 N ASP A 47 -3.130 -8.222 -4.126 1.00 0.00 N ATOM 698 CA ASP A 47 -3.728 -9.470 -3.651 1.00 0.00 C ATOM 699 C ASP A 47 -5.090 -9.077 -3.064 1.00 0.00 C ATOM 700 O ASP A 47 -5.167 -8.651 -1.909 1.00 0.00 O ATOM 701 CB ASP A 47 -2.789 -10.164 -2.634 1.00 0.00 C ATOM 702 CG ASP A 47 -2.476 -11.608 -3.020 1.00 0.00 C ATOM 703 OD1 ASP A 47 -3.408 -12.340 -3.420 1.00 0.00 O ATOM 704 OD2 ASP A 47 -1.295 -12.029 -2.923 1.00 0.00 O ATOM 0 H ASP A 47 -3.121 -7.511 -3.395 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.869 -10.204 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.859 -9.601 -2.560 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.251 -10.147 -1.647 1.00 0.00 H new ATOM 709 N ASP A 48 -6.171 -9.198 -3.843 1.00 0.00 N ATOM 710 CA ASP A 48 -7.536 -8.818 -3.435 1.00 0.00 C ATOM 711 C ASP A 48 -8.081 -9.557 -2.218 1.00 0.00 C ATOM 712 O ASP A 48 -8.825 -8.973 -1.427 1.00 0.00 O ATOM 713 CB ASP A 48 -8.542 -8.974 -4.584 1.00 0.00 C ATOM 714 CG ASP A 48 -9.864 -8.283 -4.243 1.00 0.00 C ATOM 715 OD1 ASP A 48 -10.902 -8.961 -4.043 1.00 0.00 O ATOM 716 OD2 ASP A 48 -9.877 -7.035 -4.177 1.00 0.00 O ATOM 0 H ASP A 48 -6.125 -9.569 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.428 -7.771 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.128 -8.547 -5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.718 -10.032 -4.778 1.00 0.00 H new ATOM 721 N ALA A 49 -7.619 -10.782 -1.979 1.00 0.00 N ATOM 722 CA ALA A 49 -8.067 -11.610 -0.868 1.00 0.00 C ATOM 723 C ALA A 49 -7.879 -10.920 0.489 1.00 0.00 C ATOM 724 O ALA A 49 -8.675 -11.143 1.404 1.00 0.00 O ATOM 725 CB ALA A 49 -7.274 -12.916 -0.918 1.00 0.00 C ATOM 0 H ALA A 49 -6.913 -11.232 -2.562 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.136 -11.795 -0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.585 -13.562 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.461 -13.419 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.210 -12.699 -0.826 1.00 0.00 H new ATOM 731 N THR A 50 -6.829 -10.116 0.637 1.00 0.00 N ATOM 732 CA THR A 50 -6.487 -9.360 1.843 1.00 0.00 C ATOM 733 C THR A 50 -6.258 -7.870 1.506 1.00 0.00 C ATOM 734 O THR A 50 -5.844 -7.095 2.366 1.00 0.00 O ATOM 735 CB THR A 50 -5.324 -10.090 2.564 1.00 0.00 C ATOM 736 OG1 THR A 50 -4.682 -9.303 3.543 1.00 0.00 O ATOM 737 CG2 THR A 50 -4.258 -10.659 1.613 1.00 0.00 C ATOM 0 H THR A 50 -6.159 -9.965 -0.117 1.00 0.00 H new ATOM 0 HA THR A 50 -7.310 -9.332 2.557 1.00 0.00 H new ATOM 0 HB THR A 50 -5.828 -10.922 3.056 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.954 -8.795 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.479 -11.154 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.720 -11.379 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.818 -9.848 1.033 1.00 0.00 H new ATOM 745 N LYS A 51 -6.539 -7.452 0.266 1.00 0.00 N ATOM 746 CA LYS A 51 -6.388 -6.146 -0.332 1.00 0.00 C ATOM 747 C LYS A 51 -4.964 -5.638 -0.120 1.00 0.00 C ATOM 748 O LYS A 51 -4.750 -4.442 0.026 1.00 0.00 O ATOM 749 CB LYS A 51 -7.556 -5.226 0.049 1.00 0.00 C ATOM 750 CG LYS A 51 -8.888 -5.779 -0.494 1.00 0.00 C ATOM 751 CD LYS A 51 -9.916 -4.693 -0.838 1.00 0.00 C ATOM 752 CE LYS A 51 -11.058 -5.354 -1.614 1.00 0.00 C ATOM 753 NZ LYS A 51 -12.244 -4.493 -1.791 1.00 0.00 N ATOM 0 H LYS A 51 -6.923 -8.110 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.479 -6.184 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.611 -5.131 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.383 -4.226 -0.350 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.687 -6.372 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.319 -6.453 0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.294 -4.224 0.070 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.455 -3.906 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.690 -5.654 -2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.357 -6.264 -1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.972 -5.010 -2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.622 -4.226 -0.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.975 -3.635 -2.314 1.00 0.00 H new ATOM 767 N THR A 52 -4.019 -6.578 -0.085 1.00 0.00 N ATOM 768 CA THR A 52 -2.598 -6.414 0.116 1.00 0.00 C ATOM 769 C THR A 52 -1.921 -5.890 -1.137 1.00 0.00 C ATOM 770 O THR A 52 -1.908 -6.565 -2.169 1.00 0.00 O ATOM 771 CB THR A 52 -2.023 -7.773 0.557 1.00 0.00 C ATOM 772 OG1 THR A 52 -2.534 -8.058 1.839 1.00 0.00 O ATOM 773 CG2 THR A 52 -0.502 -7.825 0.657 1.00 0.00 C ATOM 0 H THR A 52 -4.263 -7.561 -0.209 1.00 0.00 H new ATOM 0 HA THR A 52 -2.410 -5.671 0.891 1.00 0.00 H new ATOM 0 HB THR A 52 -2.314 -8.492 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.185 -8.921 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.192 -8.821 0.974 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.066 -7.602 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.160 -7.090 1.385 1.00 0.00 H new ATOM 781 N PHE A 53 -1.357 -4.693 -1.037 1.00 0.00 N ATOM 782 CA PHE A 53 -0.616 -4.029 -2.088 1.00 0.00 C ATOM 783 C PHE A 53 0.840 -4.166 -1.657 1.00 0.00 C ATOM 784 O PHE A 53 1.239 -3.541 -0.672 1.00 0.00 O ATOM 785 CB PHE A 53 -1.044 -2.562 -2.197 1.00 0.00 C ATOM 786 CG PHE A 53 -2.321 -2.363 -2.980 1.00 0.00 C ATOM 787 CD1 PHE A 53 -2.289 -2.356 -4.388 1.00 0.00 C ATOM 788 CD2 PHE A 53 -3.546 -2.213 -2.305 1.00 0.00 C ATOM 789 CE1 PHE A 53 -3.475 -2.176 -5.120 1.00 0.00 C ATOM 790 CE2 PHE A 53 -4.730 -2.041 -3.041 1.00 0.00 C ATOM 791 CZ PHE A 53 -4.695 -2.009 -4.446 1.00 0.00 C ATOM 0 H PHE A 53 -1.409 -4.139 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.788 -4.459 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.175 -2.155 -1.195 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.244 -1.993 -2.671 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.351 -2.489 -4.906 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.576 -2.230 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -3.448 -2.166 -6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.672 -1.933 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.606 -1.856 -5.006 1.00 0.00 H new ATOM 801 N THR A 54 1.624 -4.967 -2.378 1.00 0.00 N ATOM 802 CA THR A 54 3.033 -5.207 -2.076 1.00 0.00 C ATOM 803 C THR A 54 3.924 -4.455 -3.058 1.00 0.00 C ATOM 804 O THR A 54 3.594 -4.361 -4.245 1.00 0.00 O ATOM 805 CB THR A 54 3.318 -6.721 -2.114 1.00 0.00 C ATOM 806 OG1 THR A 54 2.314 -7.416 -1.412 1.00 0.00 O ATOM 807 CG2 THR A 54 4.658 -7.096 -1.483 1.00 0.00 C ATOM 0 H THR A 54 1.293 -5.474 -3.199 1.00 0.00 H new ATOM 0 HA THR A 54 3.256 -4.836 -1.076 1.00 0.00 H new ATOM 0 HB THR A 54 3.341 -6.995 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.500 -8.378 -1.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.798 -8.175 -1.542 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.465 -6.595 -2.018 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.668 -6.785 -0.438 1.00 0.00 H new ATOM 815 N VAL A 55 5.041 -3.921 -2.571 1.00 0.00 N ATOM 816 CA VAL A 55 6.049 -3.185 -3.325 1.00 0.00 C ATOM 817 C VAL A 55 7.386 -3.828 -2.978 1.00 0.00 C ATOM 818 O VAL A 55 7.613 -4.158 -1.812 1.00 0.00 O ATOM 819 CB VAL A 55 5.976 -1.689 -2.980 1.00 0.00 C ATOM 820 CG1 VAL A 55 7.185 -0.896 -3.504 1.00 0.00 C ATOM 821 CG2 VAL A 55 4.697 -1.098 -3.583 1.00 0.00 C ATOM 0 H VAL A 55 5.280 -3.995 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 55 5.895 -3.237 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 55 5.977 -1.607 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.078 0.154 -3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.100 -1.294 -3.064 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.236 -0.985 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.638 -0.037 -3.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.713 -1.224 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.829 -1.612 -3.171 1.00 0.00 H new ATOM 831 N THR A 56 8.241 -4.027 -3.977 1.00 0.00 N ATOM 832 CA THR A 56 9.554 -4.639 -3.846 1.00 0.00 C ATOM 833 C THR A 56 10.629 -3.751 -4.476 1.00 0.00 C ATOM 834 O THR A 56 10.637 -3.611 -5.701 1.00 0.00 O ATOM 835 CB THR A 56 9.487 -6.046 -4.472 1.00 0.00 C ATOM 836 OG1 THR A 56 8.842 -6.028 -5.738 1.00 0.00 O ATOM 837 CG2 THR A 56 8.699 -7.013 -3.583 1.00 0.00 C ATOM 0 H THR A 56 8.027 -3.755 -4.936 1.00 0.00 H new ATOM 0 HA THR A 56 9.835 -4.741 -2.798 1.00 0.00 H new ATOM 0 HB THR A 56 10.521 -6.375 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 56 9.146 -5.249 -6.249 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.670 -7.997 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.184 -7.089 -2.610 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.682 -6.642 -3.454 1.00 0.00 H new ATOM 845 N GLU A 57 11.473 -3.095 -3.674 1.00 0.00 N ATOM 846 CA GLU A 57 12.550 -2.254 -4.207 1.00 0.00 C ATOM 847 C GLU A 57 13.661 -3.162 -4.693 1.00 0.00 C ATOM 848 O GLU A 57 14.254 -2.902 -5.758 1.00 0.00 O ATOM 849 CB GLU A 57 13.100 -1.310 -3.134 1.00 0.00 C ATOM 850 CG GLU A 57 13.913 -0.149 -3.742 1.00 0.00 C ATOM 851 CD GLU A 57 14.362 0.899 -2.714 1.00 0.00 C ATOM 852 OE1 GLU A 57 13.680 1.036 -1.670 1.00 0.00 O ATOM 853 OE2 GLU A 57 15.383 1.586 -2.972 1.00 0.00 O ATOM 0 H GLU A 57 11.432 -3.130 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 57 12.158 -1.645 -5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.273 -0.906 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.731 -1.873 -2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.793 -0.556 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.312 0.341 -4.508 1.00 0.00 H new