USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 441 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 NoAdj-H: A 40 HIS HD1 : A 40 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -9:sc= 0.488 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= -0.929 (180deg=-0.929) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc= -1.05 (180deg=-2.21!) USER MOD Single : A 20 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.062) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= -1.02 USER MOD Single : A 30 THR OG1 : rot 50:sc= 0.151 USER MOD Single : A 32 SER OG : rot 180:sc= -0.202 USER MOD Single : A 33 MET CE :methyl 144:sc= -0.71 (180deg=-3.39!) USER MOD Single : A 35 LYS NZ :NH3+ -115:sc= 0.637 (180deg=-0.586) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -1.14 (180deg=-2.53!) USER MOD Single : A 49 GLN : amide:sc= -0.0149 K(o=-0.015,f=-1.1) USER MOD Single : A 50 SER OG : rot 180:sc= -0.897 USER MOD Single : A 53 GLN : amide:sc= -0.0485 X(o=-0.048,f=-0.38) USER MOD Single : A 55 GLN : amide:sc= -3.35 K(o=-3.4,f=-2.8) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc= -0.612 (180deg=-0.62) USER MOD Single : A 57 THR OG1 : rot -18:sc= 0.0362 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0436 USER MOD Single : A 63 SER OG : rot 53:sc= 0.837 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.305 -17.692 9.071 1.00 0.00 N ATOM 2 CA GLY A 1 18.719 -17.591 8.761 1.00 0.00 C ATOM 3 C GLY A 1 19.475 -16.747 9.768 1.00 0.00 C ATOM 4 O GLY A 1 19.068 -15.629 10.081 1.00 0.00 O ATOM 0 H1 GLY A 1 16.833 -18.279 8.353 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.185 -18.128 10.008 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.882 -16.742 9.074 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.153 -18.590 8.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.840 -17.160 7.767 1.00 0.00 H new ATOM 8 N SER A 2 20.579 -17.285 10.278 1.00 0.00 N ATOM 9 CA SER A 2 21.390 -16.576 11.260 1.00 0.00 C ATOM 10 C SER A 2 22.370 -15.629 10.574 1.00 0.00 C ATOM 11 O SER A 2 23.071 -16.015 9.638 1.00 0.00 O ATOM 12 CB SER A 2 22.154 -17.571 12.136 1.00 0.00 C ATOM 13 OG SER A 2 22.876 -16.903 13.156 1.00 0.00 O ATOM 0 H SER A 2 20.931 -18.209 10.027 1.00 0.00 H new ATOM 0 HA SER A 2 20.722 -15.987 11.889 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.455 -18.277 12.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.841 -18.150 11.519 1.00 0.00 H new ATOM 0 HG SER A 2 23.354 -17.561 13.703 1.00 0.00 H new ATOM 19 N SER A 3 22.412 -14.387 11.045 1.00 0.00 N ATOM 20 CA SER A 3 23.302 -13.382 10.475 1.00 0.00 C ATOM 21 C SER A 3 23.348 -13.497 8.955 1.00 0.00 C ATOM 22 O SER A 3 24.412 -13.403 8.345 1.00 0.00 O ATOM 23 CB SER A 3 24.711 -13.533 11.052 1.00 0.00 C ATOM 24 OG SER A 3 25.337 -14.709 10.569 1.00 0.00 O ATOM 0 H SER A 3 21.840 -14.052 11.820 1.00 0.00 H new ATOM 0 HA SER A 3 22.913 -12.398 10.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.311 -12.663 10.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.660 -13.565 12.140 1.00 0.00 H new ATOM 0 HG SER A 3 24.683 -15.250 10.079 1.00 0.00 H new ATOM 30 N GLY A 4 22.182 -13.701 8.348 1.00 0.00 N ATOM 31 CA GLY A 4 22.110 -13.826 6.904 1.00 0.00 C ATOM 32 C GLY A 4 21.362 -12.676 6.259 1.00 0.00 C ATOM 33 O GLY A 4 20.131 -12.667 6.228 1.00 0.00 O ATOM 0 H GLY A 4 21.287 -13.782 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.120 -13.873 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.618 -14.764 6.648 1.00 0.00 H new ATOM 37 N SER A 5 22.106 -11.702 5.744 1.00 0.00 N ATOM 38 CA SER A 5 21.505 -10.539 5.102 1.00 0.00 C ATOM 39 C SER A 5 21.366 -10.760 3.599 1.00 0.00 C ATOM 40 O SER A 5 22.322 -10.587 2.844 1.00 0.00 O ATOM 41 CB SER A 5 22.348 -9.290 5.370 1.00 0.00 C ATOM 42 OG SER A 5 21.742 -8.137 4.814 1.00 0.00 O ATOM 0 H SER A 5 23.126 -11.695 5.759 1.00 0.00 H new ATOM 0 HA SER A 5 20.510 -10.395 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.474 -9.156 6.444 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.344 -9.422 4.946 1.00 0.00 H new ATOM 0 HG SER A 5 22.299 -7.353 5.000 1.00 0.00 H new ATOM 48 N SER A 6 20.167 -11.143 3.173 1.00 0.00 N ATOM 49 CA SER A 6 19.901 -11.392 1.761 1.00 0.00 C ATOM 50 C SER A 6 19.650 -10.084 1.017 1.00 0.00 C ATOM 51 O SER A 6 20.283 -9.804 0.000 1.00 0.00 O ATOM 52 CB SER A 6 18.696 -12.321 1.603 1.00 0.00 C ATOM 53 OG SER A 6 18.635 -12.859 0.293 1.00 0.00 O ATOM 0 H SER A 6 19.364 -11.288 3.785 1.00 0.00 H new ATOM 0 HA SER A 6 20.780 -11.872 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.760 -13.131 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.779 -11.772 1.817 1.00 0.00 H new ATOM 0 HG SER A 6 17.857 -13.451 0.218 1.00 0.00 H new ATOM 59 N GLY A 7 18.720 -9.286 1.533 1.00 0.00 N ATOM 60 CA GLY A 7 18.400 -8.017 0.905 1.00 0.00 C ATOM 61 C GLY A 7 16.907 -7.772 0.822 1.00 0.00 C ATOM 62 O GLY A 7 16.373 -7.509 -0.257 1.00 0.00 O ATOM 0 H GLY A 7 18.183 -9.495 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.867 -7.209 1.468 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.825 -7.994 -0.098 1.00 0.00 H new ATOM 66 N HIS A 8 16.229 -7.859 1.962 1.00 0.00 N ATOM 67 CA HIS A 8 14.787 -7.646 2.013 1.00 0.00 C ATOM 68 C HIS A 8 14.438 -6.206 1.649 1.00 0.00 C ATOM 69 O HIS A 8 15.274 -5.304 1.711 1.00 0.00 O ATOM 70 CB HIS A 8 14.250 -7.976 3.406 1.00 0.00 C ATOM 71 CG HIS A 8 13.866 -9.414 3.573 1.00 0.00 C ATOM 72 ND1 HIS A 8 14.416 -10.233 4.536 1.00 0.00 N ATOM 73 CD2 HIS A 8 12.978 -10.178 2.895 1.00 0.00 C ATOM 74 CE1 HIS A 8 13.885 -11.439 4.442 1.00 0.00 C ATOM 75 NE2 HIS A 8 13.009 -11.432 3.454 1.00 0.00 N ATOM 0 H HIS A 8 16.655 -8.076 2.863 1.00 0.00 H new ATOM 0 HA HIS A 8 14.321 -8.310 1.285 1.00 0.00 H new ATOM 0 HB2 HIS A 8 15.007 -7.722 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 8 13.381 -7.350 3.609 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.360 -9.860 2.068 1.00 0.00 H new ATOM 0 HE1 HIS A 8 14.126 -12.286 5.067 1.00 0.00 H new ATOM 0 HE2 HIS A 8 12.447 -12.229 3.155 1.00 0.00 H new ATOM 83 N PRO A 9 13.174 -5.983 1.259 1.00 0.00 N ATOM 84 CA PRO A 9 12.685 -4.655 0.877 1.00 0.00 C ATOM 85 C PRO A 9 12.588 -3.708 2.069 1.00 0.00 C ATOM 86 O PRO A 9 12.338 -4.137 3.195 1.00 0.00 O ATOM 87 CB PRO A 9 11.294 -4.939 0.305 1.00 0.00 C ATOM 88 CG PRO A 9 10.869 -6.209 0.958 1.00 0.00 C ATOM 89 CD PRO A 9 12.124 -7.011 1.161 1.00 0.00 C ATOM 0 HA PRO A 9 13.356 -4.160 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.601 -4.128 0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.325 -5.042 -0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.374 -6.012 1.909 1.00 0.00 H new ATOM 0 HG3 PRO A 9 10.157 -6.749 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 9 12.071 -7.618 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.305 -7.692 0.329 1.00 0.00 H new ATOM 97 N MET A 10 12.787 -2.420 1.812 1.00 0.00 N ATOM 98 CA MET A 10 12.720 -1.412 2.865 1.00 0.00 C ATOM 99 C MET A 10 11.861 -0.229 2.431 1.00 0.00 C ATOM 100 O MET A 10 11.724 0.048 1.239 1.00 0.00 O ATOM 101 CB MET A 10 14.125 -0.931 3.230 1.00 0.00 C ATOM 102 CG MET A 10 15.079 -2.058 3.592 1.00 0.00 C ATOM 103 SD MET A 10 14.438 -3.116 4.904 1.00 0.00 S ATOM 104 CE MET A 10 14.521 -2.004 6.306 1.00 0.00 C ATOM 0 H MET A 10 12.996 -2.049 0.885 1.00 0.00 H new ATOM 0 HA MET A 10 12.261 -1.869 3.742 1.00 0.00 H new ATOM 0 HB2 MET A 10 14.538 -0.372 2.390 1.00 0.00 H new ATOM 0 HB3 MET A 10 14.057 -0.240 4.070 1.00 0.00 H new ATOM 0 HG2 MET A 10 15.274 -2.662 2.706 1.00 0.00 H new ATOM 0 HG3 MET A 10 16.033 -1.635 3.906 1.00 0.00 H new ATOM 0 HE1 MET A 10 14.157 -2.515 7.197 1.00 0.00 H new ATOM 0 HE2 MET A 10 15.554 -1.692 6.463 1.00 0.00 H new ATOM 0 HE3 MET A 10 13.903 -1.127 6.112 1.00 0.00 H new ATOM 114 N CYS A 11 11.283 0.466 3.405 1.00 0.00 N ATOM 115 CA CYS A 11 10.437 1.620 3.124 1.00 0.00 C ATOM 116 C CYS A 11 11.274 2.810 2.666 1.00 0.00 C ATOM 117 O CYS A 11 12.032 3.387 3.446 1.00 0.00 O ATOM 118 CB CYS A 11 9.627 1.999 4.365 1.00 0.00 C ATOM 119 SG CYS A 11 8.340 3.251 4.059 1.00 0.00 S ATOM 0 H CYS A 11 11.385 0.250 4.397 1.00 0.00 H new ATOM 0 HA CYS A 11 9.752 1.350 2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.157 1.101 4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.308 2.373 5.130 1.00 0.00 H new ATOM 124 N LYS A 12 11.132 3.174 1.396 1.00 0.00 N ATOM 125 CA LYS A 12 11.873 4.296 0.833 1.00 0.00 C ATOM 126 C LYS A 12 12.006 5.425 1.851 1.00 0.00 C ATOM 127 O LYS A 12 13.102 5.933 2.086 1.00 0.00 O ATOM 128 CB LYS A 12 11.176 4.812 -0.428 1.00 0.00 C ATOM 129 CG LYS A 12 11.530 4.030 -1.681 1.00 0.00 C ATOM 130 CD LYS A 12 10.673 4.452 -2.863 1.00 0.00 C ATOM 131 CE LYS A 12 9.270 3.871 -2.770 1.00 0.00 C ATOM 132 NZ LYS A 12 8.574 3.890 -4.086 1.00 0.00 N ATOM 0 H LYS A 12 10.509 2.707 0.736 1.00 0.00 H new ATOM 0 HA LYS A 12 12.872 3.946 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.097 4.773 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.440 5.859 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.582 4.182 -1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.396 2.964 -1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.616 5.540 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.143 4.124 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.325 2.846 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.689 4.439 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.621 3.486 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.499 4.870 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.115 3.327 -4.773 1.00 0.00 H new ATOM 146 N GLU A 13 10.885 5.810 2.451 1.00 0.00 N ATOM 147 CA GLU A 13 10.879 6.878 3.444 1.00 0.00 C ATOM 148 C GLU A 13 11.702 6.488 4.668 1.00 0.00 C ATOM 149 O GLU A 13 12.670 7.165 5.020 1.00 0.00 O ATOM 150 CB GLU A 13 9.444 7.206 3.864 1.00 0.00 C ATOM 151 CG GLU A 13 9.322 8.499 4.652 1.00 0.00 C ATOM 152 CD GLU A 13 7.985 9.184 4.445 1.00 0.00 C ATOM 153 OE1 GLU A 13 6.998 8.768 5.088 1.00 0.00 O ATOM 154 OE2 GLU A 13 7.925 10.137 3.640 1.00 0.00 O ATOM 0 H GLU A 13 9.970 5.399 2.267 1.00 0.00 H new ATOM 0 HA GLU A 13 11.329 7.762 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.820 7.273 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.054 6.385 4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.458 8.288 5.713 1.00 0.00 H new ATOM 0 HG3 GLU A 13 10.123 9.177 4.357 1.00 0.00 H new ATOM 161 N HIS A 14 11.312 5.394 5.312 1.00 0.00 N ATOM 162 CA HIS A 14 12.014 4.913 6.497 1.00 0.00 C ATOM 163 C HIS A 14 13.182 4.011 6.109 1.00 0.00 C ATOM 164 O HIS A 14 13.023 2.799 5.973 1.00 0.00 O ATOM 165 CB HIS A 14 11.052 4.154 7.413 1.00 0.00 C ATOM 166 CG HIS A 14 10.000 5.025 8.029 1.00 0.00 C ATOM 167 ND1 HIS A 14 8.903 5.487 7.332 1.00 0.00 N ATOM 168 CD2 HIS A 14 9.880 5.515 9.284 1.00 0.00 C ATOM 169 CE1 HIS A 14 8.155 6.226 8.133 1.00 0.00 C ATOM 170 NE2 HIS A 14 8.726 6.258 9.323 1.00 0.00 N ATOM 0 H HIS A 14 10.514 4.823 5.034 1.00 0.00 H new ATOM 0 HA HIS A 14 12.407 5.778 7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 14 10.568 3.362 6.842 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.623 3.671 8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.565 5.352 10.103 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.234 6.719 7.860 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.368 6.754 10.139 1.00 0.00 H new ATOM 178 N GLU A 15 14.354 4.613 5.931 1.00 0.00 N ATOM 179 CA GLU A 15 15.547 3.864 5.556 1.00 0.00 C ATOM 180 C GLU A 15 15.720 2.635 6.445 1.00 0.00 C ATOM 181 O GLU A 15 15.988 1.537 5.958 1.00 0.00 O ATOM 182 CB GLU A 15 16.787 4.755 5.653 1.00 0.00 C ATOM 183 CG GLU A 15 17.015 5.332 7.040 1.00 0.00 C ATOM 184 CD GLU A 15 17.714 6.677 7.005 1.00 0.00 C ATOM 185 OE1 GLU A 15 17.383 7.494 6.121 1.00 0.00 O ATOM 186 OE2 GLU A 15 18.592 6.913 7.861 1.00 0.00 O ATOM 0 H GLU A 15 14.502 5.616 6.040 1.00 0.00 H new ATOM 0 HA GLU A 15 15.427 3.532 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.663 4.177 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.693 5.573 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.056 5.438 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.610 4.633 7.627 1.00 0.00 H new ATOM 193 N ASP A 16 15.564 2.830 7.749 1.00 0.00 N ATOM 194 CA ASP A 16 15.702 1.739 8.707 1.00 0.00 C ATOM 195 C ASP A 16 14.343 1.336 9.271 1.00 0.00 C ATOM 196 O ASP A 16 13.951 1.782 10.348 1.00 0.00 O ATOM 197 CB ASP A 16 16.639 2.145 9.845 1.00 0.00 C ATOM 198 CG ASP A 16 18.101 1.982 9.477 1.00 0.00 C ATOM 199 OD1 ASP A 16 18.426 1.018 8.753 1.00 0.00 O ATOM 200 OD2 ASP A 16 18.920 2.817 9.914 1.00 0.00 O ATOM 0 H ASP A 16 15.342 3.733 8.168 1.00 0.00 H new ATOM 0 HA ASP A 16 16.128 0.882 8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.449 3.184 10.115 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.419 1.541 10.726 1.00 0.00 H new ATOM 205 N GLU A 17 13.629 0.491 8.533 1.00 0.00 N ATOM 206 CA GLU A 17 12.313 0.030 8.960 1.00 0.00 C ATOM 207 C GLU A 17 11.771 -1.029 8.004 1.00 0.00 C ATOM 208 O GLU A 17 11.486 -0.744 6.840 1.00 0.00 O ATOM 209 CB GLU A 17 11.338 1.206 9.042 1.00 0.00 C ATOM 210 CG GLU A 17 10.165 0.961 9.977 1.00 0.00 C ATOM 211 CD GLU A 17 10.602 0.705 11.406 1.00 0.00 C ATOM 212 OE1 GLU A 17 11.678 1.206 11.795 1.00 0.00 O ATOM 213 OE2 GLU A 17 9.870 0.003 12.134 1.00 0.00 O ATOM 0 H GLU A 17 13.939 0.112 7.638 1.00 0.00 H new ATOM 0 HA GLU A 17 12.416 -0.417 9.949 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.878 2.092 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.957 1.421 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.500 1.824 9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.591 0.107 9.618 1.00 0.00 H new ATOM 220 N LYS A 18 11.630 -2.252 8.503 1.00 0.00 N ATOM 221 CA LYS A 18 11.122 -3.355 7.696 1.00 0.00 C ATOM 222 C LYS A 18 9.641 -3.163 7.383 1.00 0.00 C ATOM 223 O LYS A 18 8.816 -3.052 8.290 1.00 0.00 O ATOM 224 CB LYS A 18 11.333 -4.685 8.422 1.00 0.00 C ATOM 225 CG LYS A 18 12.740 -5.239 8.282 1.00 0.00 C ATOM 226 CD LYS A 18 13.736 -4.445 9.111 1.00 0.00 C ATOM 227 CE LYS A 18 13.705 -4.864 10.572 1.00 0.00 C ATOM 228 NZ LYS A 18 12.687 -4.101 11.347 1.00 0.00 N ATOM 0 H LYS A 18 11.861 -2.505 9.464 1.00 0.00 H new ATOM 0 HA LYS A 18 11.675 -3.370 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.108 -4.551 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.624 -5.417 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.754 -6.283 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.038 -5.217 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.740 -4.589 8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.511 -3.381 9.032 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.489 -5.930 10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.689 -4.710 11.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.967 -4.067 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.620 -3.133 10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.763 -4.570 11.262 1.00 0.00 H new ATOM 242 N ILE A 19 9.313 -3.126 6.096 1.00 0.00 N ATOM 243 CA ILE A 19 7.932 -2.951 5.666 1.00 0.00 C ATOM 244 C ILE A 19 6.965 -3.629 6.630 1.00 0.00 C ATOM 245 O ILE A 19 6.945 -4.854 6.746 1.00 0.00 O ATOM 246 CB ILE A 19 7.707 -3.514 4.250 1.00 0.00 C ATOM 247 CG1 ILE A 19 8.695 -2.885 3.265 1.00 0.00 C ATOM 248 CG2 ILE A 19 6.274 -3.267 3.802 1.00 0.00 C ATOM 249 CD1 ILE A 19 8.537 -1.387 3.125 1.00 0.00 C ATOM 0 H ILE A 19 9.985 -3.215 5.333 1.00 0.00 H new ATOM 0 HA ILE A 19 7.739 -1.878 5.657 1.00 0.00 H new ATOM 0 HB ILE A 19 7.879 -4.590 4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 19 9.711 -3.106 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.566 -3.349 2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.131 -3.671 2.800 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.587 -3.758 4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.075 -2.195 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.269 -1.009 2.411 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.532 -1.159 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.696 -0.912 4.093 1.00 0.00 H new ATOM 261 N ASN A 20 6.162 -2.825 7.319 1.00 0.00 N ATOM 262 CA ASN A 20 5.191 -3.348 8.272 1.00 0.00 C ATOM 263 C ASN A 20 3.867 -3.664 7.583 1.00 0.00 C ATOM 264 O ASN A 20 3.252 -4.699 7.843 1.00 0.00 O ATOM 265 CB ASN A 20 4.962 -2.342 9.402 1.00 0.00 C ATOM 266 CG ASN A 20 6.054 -2.395 10.453 1.00 0.00 C ATOM 267 OD1 ASN A 20 6.304 -3.441 11.053 1.00 0.00 O ATOM 268 ND2 ASN A 20 6.710 -1.263 10.682 1.00 0.00 N ATOM 0 H ASN A 20 6.165 -1.808 7.235 1.00 0.00 H new ATOM 0 HA ASN A 20 5.592 -4.271 8.691 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.912 -1.336 8.985 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.999 -2.541 9.872 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.455 -1.237 11.379 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.469 -0.420 10.161 1.00 0.00 H new ATOM 275 N ILE A 21 3.436 -2.767 6.702 1.00 0.00 N ATOM 276 CA ILE A 21 2.187 -2.952 5.974 1.00 0.00 C ATOM 277 C ILE A 21 2.360 -2.627 4.494 1.00 0.00 C ATOM 278 O ILE A 21 3.419 -2.165 4.069 1.00 0.00 O ATOM 279 CB ILE A 21 1.062 -2.072 6.553 1.00 0.00 C ATOM 280 CG1 ILE A 21 1.523 -0.617 6.651 1.00 0.00 C ATOM 281 CG2 ILE A 21 0.633 -2.591 7.917 1.00 0.00 C ATOM 282 CD1 ILE A 21 0.429 0.336 7.078 1.00 0.00 C ATOM 0 H ILE A 21 3.933 -1.906 6.475 1.00 0.00 H new ATOM 0 HA ILE A 21 1.910 -4.001 6.084 1.00 0.00 H new ATOM 0 HB ILE A 21 0.204 -2.117 5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.347 -0.553 7.361 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.911 -0.301 5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.162 -1.959 8.313 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.269 -3.614 7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.484 -2.572 8.598 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.828 1.349 7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.387 0.301 6.356 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.056 0.046 8.060 1.00 0.00 H new ATOM 294 N TYR A 22 1.313 -2.871 3.714 1.00 0.00 N ATOM 295 CA TYR A 22 1.349 -2.605 2.281 1.00 0.00 C ATOM 296 C TYR A 22 0.193 -1.700 1.866 1.00 0.00 C ATOM 297 O TYR A 22 -0.956 -1.926 2.247 1.00 0.00 O ATOM 298 CB TYR A 22 1.292 -3.917 1.497 1.00 0.00 C ATOM 299 CG TYR A 22 0.973 -3.732 0.030 1.00 0.00 C ATOM 300 CD1 TYR A 22 1.981 -3.486 -0.895 1.00 0.00 C ATOM 301 CD2 TYR A 22 -0.335 -3.804 -0.431 1.00 0.00 C ATOM 302 CE1 TYR A 22 1.694 -3.316 -2.235 1.00 0.00 C ATOM 303 CE2 TYR A 22 -0.631 -3.636 -1.770 1.00 0.00 C ATOM 304 CZ TYR A 22 0.387 -3.392 -2.668 1.00 0.00 C ATOM 305 OH TYR A 22 0.097 -3.224 -4.003 1.00 0.00 O ATOM 0 H TYR A 22 0.429 -3.253 4.050 1.00 0.00 H new ATOM 0 HA TYR A 22 2.285 -2.094 2.055 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.250 -4.428 1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.539 -4.566 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 22 3.006 -3.427 -0.560 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.135 -3.995 0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.489 -3.124 -2.940 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.654 -3.695 -2.112 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.870 -3.309 -4.141 1.00 0.00 H new ATOM 315 N CYS A 23 0.505 -0.675 1.080 1.00 0.00 N ATOM 316 CA CYS A 23 -0.505 0.265 0.611 1.00 0.00 C ATOM 317 C CYS A 23 -1.235 -0.285 -0.611 1.00 0.00 C ATOM 318 O CYS A 23 -0.680 -1.077 -1.375 1.00 0.00 O ATOM 319 CB CYS A 23 0.139 1.611 0.271 1.00 0.00 C ATOM 320 SG CYS A 23 -1.049 2.979 0.088 1.00 0.00 S ATOM 0 H CYS A 23 1.451 -0.474 0.754 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.231 0.409 1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.854 1.867 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.703 1.508 -0.656 1.00 0.00 H new ATOM 325 N LEU A 24 -2.481 0.139 -0.790 1.00 0.00 N ATOM 326 CA LEU A 24 -3.287 -0.310 -1.920 1.00 0.00 C ATOM 327 C LEU A 24 -3.507 0.823 -2.916 1.00 0.00 C ATOM 328 O LEU A 24 -3.143 0.715 -4.088 1.00 0.00 O ATOM 329 CB LEU A 24 -4.635 -0.843 -1.429 1.00 0.00 C ATOM 330 CG LEU A 24 -4.624 -2.252 -0.837 1.00 0.00 C ATOM 331 CD1 LEU A 24 -3.395 -2.456 0.034 1.00 0.00 C ATOM 332 CD2 LEU A 24 -5.894 -2.505 -0.038 1.00 0.00 C ATOM 0 H LEU A 24 -2.955 0.793 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.748 -1.112 -2.424 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.022 -0.157 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.335 -0.827 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.586 -2.969 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.405 -3.465 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.496 -2.319 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.402 -1.731 0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.869 -3.513 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.963 -1.781 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.761 -2.403 -0.691 1.00 0.00 H new ATOM 344 N THR A 25 -4.105 1.913 -2.444 1.00 0.00 N ATOM 345 CA THR A 25 -4.373 3.067 -3.293 1.00 0.00 C ATOM 346 C THR A 25 -3.245 3.286 -4.295 1.00 0.00 C ATOM 347 O THR A 25 -3.387 2.981 -5.480 1.00 0.00 O ATOM 348 CB THR A 25 -4.558 4.348 -2.457 1.00 0.00 C ATOM 349 OG1 THR A 25 -5.751 4.252 -1.671 1.00 0.00 O ATOM 350 CG2 THR A 25 -4.634 5.573 -3.356 1.00 0.00 C ATOM 0 H THR A 25 -4.413 2.020 -1.478 1.00 0.00 H new ATOM 0 HA THR A 25 -5.297 2.856 -3.831 1.00 0.00 H new ATOM 0 HB THR A 25 -3.697 4.453 -1.797 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.210 5.118 -1.666 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.765 6.466 -2.744 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.713 5.659 -3.932 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.479 5.473 -4.037 1.00 0.00 H new ATOM 358 N CYS A 26 -2.126 3.814 -3.813 1.00 0.00 N ATOM 359 CA CYS A 26 -0.973 4.074 -4.666 1.00 0.00 C ATOM 360 C CYS A 26 -0.320 2.768 -5.112 1.00 0.00 C ATOM 361 O CYS A 26 0.425 2.738 -6.090 1.00 0.00 O ATOM 362 CB CYS A 26 0.049 4.942 -3.929 1.00 0.00 C ATOM 363 SG CYS A 26 0.564 4.273 -2.314 1.00 0.00 S ATOM 0 H CYS A 26 -1.993 4.071 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.321 4.607 -5.551 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.931 5.061 -4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.374 5.936 -3.781 1.00 0.00 H new ATOM 368 N GLU A 27 -0.607 1.692 -4.386 1.00 0.00 N ATOM 369 CA GLU A 27 -0.048 0.384 -4.706 1.00 0.00 C ATOM 370 C GLU A 27 1.451 0.350 -4.424 1.00 0.00 C ATOM 371 O GLU A 27 2.250 0.006 -5.296 1.00 0.00 O ATOM 372 CB GLU A 27 -0.311 0.038 -6.173 1.00 0.00 C ATOM 373 CG GLU A 27 -1.755 0.244 -6.598 1.00 0.00 C ATOM 374 CD GLU A 27 -1.896 0.482 -8.089 1.00 0.00 C ATOM 375 OE1 GLU A 27 -1.885 -0.508 -8.850 1.00 0.00 O ATOM 376 OE2 GLU A 27 -2.017 1.657 -8.494 1.00 0.00 O ATOM 0 H GLU A 27 -1.223 1.700 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.536 -0.357 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.335 0.649 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.035 -1.002 -6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.341 -0.631 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.171 1.094 -6.057 1.00 0.00 H new ATOM 383 N VAL A 28 1.826 0.709 -3.201 1.00 0.00 N ATOM 384 CA VAL A 28 3.229 0.719 -2.803 1.00 0.00 C ATOM 385 C VAL A 28 3.399 0.210 -1.376 1.00 0.00 C ATOM 386 O VAL A 28 2.721 0.652 -0.448 1.00 0.00 O ATOM 387 CB VAL A 28 3.832 2.132 -2.908 1.00 0.00 C ATOM 388 CG1 VAL A 28 3.455 2.777 -4.233 1.00 0.00 C ATOM 389 CG2 VAL A 28 3.377 2.993 -1.739 1.00 0.00 C ATOM 0 H VAL A 28 1.178 0.997 -2.468 1.00 0.00 H new ATOM 0 HA VAL A 28 3.757 0.055 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 28 4.918 2.048 -2.868 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.890 3.775 -4.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.834 2.169 -5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.370 2.850 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.812 3.988 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.290 3.071 -1.746 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.702 2.538 -0.804 1.00 0.00 H new ATOM 399 N PRO A 29 4.326 -0.742 -1.193 1.00 0.00 N ATOM 400 CA PRO A 29 4.609 -1.331 0.119 1.00 0.00 C ATOM 401 C PRO A 29 5.293 -0.346 1.061 1.00 0.00 C ATOM 402 O PRO A 29 6.504 -0.138 0.987 1.00 0.00 O ATOM 403 CB PRO A 29 5.546 -2.496 -0.210 1.00 0.00 C ATOM 404 CG PRO A 29 6.197 -2.108 -1.492 1.00 0.00 C ATOM 405 CD PRO A 29 5.171 -1.315 -2.254 1.00 0.00 C ATOM 0 HA PRO A 29 3.698 -1.632 0.636 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.283 -2.646 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.995 -3.431 -0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.093 -1.515 -1.311 1.00 0.00 H new ATOM 0 HG3 PRO A 29 6.506 -2.989 -2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.634 -0.538 -2.862 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.595 -1.947 -2.929 1.00 0.00 H new ATOM 413 N THR A 30 4.509 0.258 1.949 1.00 0.00 N ATOM 414 CA THR A 30 5.039 1.221 2.906 1.00 0.00 C ATOM 415 C THR A 30 4.720 0.806 4.338 1.00 0.00 C ATOM 416 O THR A 30 3.716 0.141 4.593 1.00 0.00 O ATOM 417 CB THR A 30 4.474 2.632 2.655 1.00 0.00 C ATOM 418 OG1 THR A 30 4.910 3.525 3.685 1.00 0.00 O ATOM 419 CG2 THR A 30 2.953 2.606 2.610 1.00 0.00 C ATOM 0 H THR A 30 3.505 0.097 2.025 1.00 0.00 H new ATOM 0 HA THR A 30 6.120 1.241 2.768 1.00 0.00 H new ATOM 0 HB THR A 30 4.845 2.981 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.881 3.449 3.795 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.577 3.613 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.624 1.948 1.806 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.567 2.238 3.561 1.00 0.00 H new ATOM 427 N CYS A 31 5.581 1.203 5.269 1.00 0.00 N ATOM 428 CA CYS A 31 5.392 0.873 6.676 1.00 0.00 C ATOM 429 C CYS A 31 4.188 1.613 7.252 1.00 0.00 C ATOM 430 O CYS A 31 3.660 2.536 6.632 1.00 0.00 O ATOM 431 CB CYS A 31 6.648 1.221 7.477 1.00 0.00 C ATOM 432 SG CYS A 31 6.867 3.003 7.780 1.00 0.00 S ATOM 0 H CYS A 31 6.417 1.754 5.074 1.00 0.00 H new ATOM 0 HA CYS A 31 5.207 -0.199 6.749 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.610 0.703 8.435 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.521 0.844 6.945 1.00 0.00 H new ATOM 437 N SER A 32 3.760 1.201 8.441 1.00 0.00 N ATOM 438 CA SER A 32 2.616 1.822 9.099 1.00 0.00 C ATOM 439 C SER A 32 2.911 3.280 9.438 1.00 0.00 C ATOM 440 O SER A 32 2.102 4.167 9.167 1.00 0.00 O ATOM 441 CB SER A 32 2.254 1.054 10.371 1.00 0.00 C ATOM 442 OG SER A 32 1.381 -0.025 10.084 1.00 0.00 O ATOM 0 H SER A 32 4.188 0.440 8.968 1.00 0.00 H new ATOM 0 HA SER A 32 1.771 1.790 8.411 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.161 0.676 10.842 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.781 1.729 11.085 1.00 0.00 H new ATOM 0 HG SER A 32 1.166 -0.501 10.913 1.00 0.00 H new ATOM 448 N MET A 33 4.075 3.519 10.033 1.00 0.00 N ATOM 449 CA MET A 33 4.478 4.869 10.409 1.00 0.00 C ATOM 450 C MET A 33 4.043 5.880 9.353 1.00 0.00 C ATOM 451 O MET A 33 3.645 7.000 9.676 1.00 0.00 O ATOM 452 CB MET A 33 5.994 4.937 10.603 1.00 0.00 C ATOM 453 CG MET A 33 6.551 3.795 11.437 1.00 0.00 C ATOM 454 SD MET A 33 5.705 3.612 13.019 1.00 0.00 S ATOM 455 CE MET A 33 4.741 2.133 12.718 1.00 0.00 C ATOM 0 H MET A 33 4.756 2.796 10.265 1.00 0.00 H new ATOM 0 HA MET A 33 3.987 5.119 11.350 1.00 0.00 H new ATOM 0 HB2 MET A 33 6.478 4.932 9.626 1.00 0.00 H new ATOM 0 HB3 MET A 33 6.249 5.883 11.081 1.00 0.00 H new ATOM 0 HG2 MET A 33 6.467 2.865 10.875 1.00 0.00 H new ATOM 0 HG3 MET A 33 7.613 3.965 11.615 1.00 0.00 H new ATOM 0 HE1 MET A 33 4.690 1.540 13.631 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.733 2.412 12.410 1.00 0.00 H new ATOM 0 HE3 MET A 33 5.212 1.546 11.930 1.00 0.00 H new ATOM 465 N CYS A 34 4.123 5.479 8.088 1.00 0.00 N ATOM 466 CA CYS A 34 3.739 6.350 6.984 1.00 0.00 C ATOM 467 C CYS A 34 2.221 6.476 6.893 1.00 0.00 C ATOM 468 O CYS A 34 1.685 7.577 6.759 1.00 0.00 O ATOM 469 CB CYS A 34 4.296 5.811 5.665 1.00 0.00 C ATOM 470 SG CYS A 34 6.084 6.084 5.446 1.00 0.00 S ATOM 0 H CYS A 34 4.450 4.556 7.803 1.00 0.00 H new ATOM 0 HA CYS A 34 4.158 7.339 7.171 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.093 4.742 5.607 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.764 6.282 4.839 1.00 0.00 H new ATOM 475 N LYS A 35 1.533 5.342 6.968 1.00 0.00 N ATOM 476 CA LYS A 35 0.077 5.324 6.896 1.00 0.00 C ATOM 477 C LYS A 35 -0.535 6.094 8.063 1.00 0.00 C ATOM 478 O LYS A 35 -1.360 6.986 7.866 1.00 0.00 O ATOM 479 CB LYS A 35 -0.437 3.882 6.898 1.00 0.00 C ATOM 480 CG LYS A 35 -1.944 3.773 7.052 1.00 0.00 C ATOM 481 CD LYS A 35 -2.659 4.036 5.737 1.00 0.00 C ATOM 482 CE LYS A 35 -4.067 4.564 5.964 1.00 0.00 C ATOM 483 NZ LYS A 35 -4.068 6.015 6.297 1.00 0.00 N ATOM 0 H LYS A 35 1.961 4.423 7.079 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.222 5.809 5.966 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.139 3.398 5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.043 3.335 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.203 2.778 7.415 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.287 4.486 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.089 4.756 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.704 3.115 5.156 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.666 4.396 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.538 4.005 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.416 6.148 7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.100 6.389 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.688 6.523 5.634 1.00 0.00 H new ATOM 497 N VAL A 36 -0.125 5.743 9.277 1.00 0.00 N ATOM 498 CA VAL A 36 -0.631 6.403 10.475 1.00 0.00 C ATOM 499 C VAL A 36 0.054 7.748 10.693 1.00 0.00 C ATOM 500 O VAL A 36 -0.563 8.701 11.167 1.00 0.00 O ATOM 501 CB VAL A 36 -0.428 5.528 11.726 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.181 4.214 11.586 1.00 0.00 C ATOM 503 CG2 VAL A 36 1.053 5.280 11.969 1.00 0.00 C ATOM 0 H VAL A 36 0.556 5.005 9.457 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.698 6.563 10.321 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.830 6.060 12.589 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.026 3.609 12.479 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.245 4.416 11.465 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.812 3.674 10.714 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.177 4.660 12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.483 4.770 11.107 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.562 6.232 12.117 1.00 0.00 H new ATOM 513 N PHE A 37 1.334 7.817 10.342 1.00 0.00 N ATOM 514 CA PHE A 37 2.104 9.045 10.499 1.00 0.00 C ATOM 515 C PHE A 37 2.882 9.366 9.226 1.00 0.00 C ATOM 516 O PHE A 37 4.112 9.376 9.222 1.00 0.00 O ATOM 517 CB PHE A 37 3.068 8.920 11.680 1.00 0.00 C ATOM 518 CG PHE A 37 2.471 8.223 12.869 1.00 0.00 C ATOM 519 CD1 PHE A 37 1.276 8.659 13.417 1.00 0.00 C ATOM 520 CD2 PHE A 37 3.106 7.131 13.439 1.00 0.00 C ATOM 521 CE1 PHE A 37 0.725 8.019 14.511 1.00 0.00 C ATOM 522 CE2 PHE A 37 2.560 6.487 14.533 1.00 0.00 C ATOM 523 CZ PHE A 37 1.367 6.931 15.069 1.00 0.00 C ATOM 0 H PHE A 37 1.860 7.037 9.947 1.00 0.00 H new ATOM 0 HA PHE A 37 1.406 9.859 10.693 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.956 8.376 11.358 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.395 9.916 11.979 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.769 9.509 12.984 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.039 6.779 13.023 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.207 8.369 14.929 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.065 5.638 14.968 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.937 6.428 15.923 1.00 0.00 H new ATOM 533 N GLY A 38 2.154 9.627 8.144 1.00 0.00 N ATOM 534 CA GLY A 38 2.791 9.944 6.879 1.00 0.00 C ATOM 535 C GLY A 38 1.810 10.477 5.854 1.00 0.00 C ATOM 536 O GLY A 38 0.612 10.569 6.120 1.00 0.00 O ATOM 0 H GLY A 38 1.134 9.624 8.121 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.575 10.683 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.274 9.050 6.485 1.00 0.00 H new ATOM 540 N ILE A 39 2.320 10.832 4.679 1.00 0.00 N ATOM 541 CA ILE A 39 1.480 11.359 3.611 1.00 0.00 C ATOM 542 C ILE A 39 0.434 10.337 3.178 1.00 0.00 C ATOM 543 O ILE A 39 -0.606 10.694 2.624 1.00 0.00 O ATOM 544 CB ILE A 39 2.319 11.768 2.385 1.00 0.00 C ATOM 545 CG1 ILE A 39 3.114 10.571 1.861 1.00 0.00 C ATOM 546 CG2 ILE A 39 3.253 12.915 2.742 1.00 0.00 C ATOM 547 CD1 ILE A 39 2.359 9.743 0.844 1.00 0.00 C ATOM 0 H ILE A 39 3.310 10.764 4.443 1.00 0.00 H new ATOM 0 HA ILE A 39 0.979 12.241 4.010 1.00 0.00 H new ATOM 0 HB ILE A 39 1.645 12.105 1.598 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.040 10.929 1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.393 9.935 2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.839 13.193 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.667 13.772 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.923 12.603 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.983 8.912 0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.446 9.355 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.103 10.365 -0.014 1.00 0.00 H new ATOM 559 N HIS A 40 0.716 9.064 3.437 1.00 0.00 N ATOM 560 CA HIS A 40 -0.202 7.990 3.076 1.00 0.00 C ATOM 561 C HIS A 40 -1.404 7.965 4.015 1.00 0.00 C ATOM 562 O HIS A 40 -1.569 7.036 4.807 1.00 0.00 O ATOM 563 CB HIS A 40 0.518 6.641 3.115 1.00 0.00 C ATOM 564 CG HIS A 40 1.611 6.517 2.099 1.00 0.00 C ATOM 565 ND1 HIS A 40 1.400 6.047 0.820 1.00 0.00 N ATOM 566 CD2 HIS A 40 2.931 6.805 2.179 1.00 0.00 C ATOM 567 CE1 HIS A 40 2.543 6.050 0.158 1.00 0.00 C ATOM 568 NE2 HIS A 40 3.488 6.507 0.960 1.00 0.00 N ATOM 0 H HIS A 40 1.572 8.751 3.895 1.00 0.00 H new ATOM 0 HA HIS A 40 -0.558 8.175 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 40 0.939 6.491 4.109 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -0.209 5.845 2.953 1.00 0.00 H new ATOM 0 HD2 HIS A 40 3.450 7.197 3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.681 5.733 -0.865 1.00 0.00 H new ATOM 0 HE2 HIS A 40 4.471 6.620 0.714 1.00 0.00 H new ATOM 576 N LYS A 41 -2.243 8.992 3.922 1.00 0.00 N ATOM 577 CA LYS A 41 -3.431 9.088 4.761 1.00 0.00 C ATOM 578 C LYS A 41 -4.680 8.684 3.986 1.00 0.00 C ATOM 579 O LYS A 41 -5.480 7.876 4.457 1.00 0.00 O ATOM 580 CB LYS A 41 -3.589 10.514 5.295 1.00 0.00 C ATOM 581 CG LYS A 41 -2.449 10.956 6.197 1.00 0.00 C ATOM 582 CD LYS A 41 -2.885 12.058 7.147 1.00 0.00 C ATOM 583 CE LYS A 41 -3.578 11.492 8.377 1.00 0.00 C ATOM 584 NZ LYS A 41 -4.994 11.125 8.097 1.00 0.00 N ATOM 0 H LYS A 41 -2.121 9.770 3.273 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.308 8.403 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.663 11.202 4.453 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.526 10.584 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.086 10.103 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.617 11.308 5.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.016 12.640 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.560 12.740 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.037 10.612 8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.546 12.226 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.569 11.283 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.358 11.713 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.046 10.122 7.826 1.00 0.00 H new ATOM 598 N ALA A 42 -4.839 9.248 2.793 1.00 0.00 N ATOM 599 CA ALA A 42 -5.989 8.943 1.951 1.00 0.00 C ATOM 600 C ALA A 42 -5.759 7.666 1.149 1.00 0.00 C ATOM 601 O ALA A 42 -6.229 7.538 0.018 1.00 0.00 O ATOM 602 CB ALA A 42 -6.284 10.108 1.018 1.00 0.00 C ATOM 0 H ALA A 42 -4.186 9.919 2.388 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.851 8.784 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.145 9.866 0.395 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.501 11.000 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.418 10.294 0.383 1.00 0.00 H new ATOM 608 N CYS A 43 -5.033 6.724 1.742 1.00 0.00 N ATOM 609 CA CYS A 43 -4.739 5.457 1.083 1.00 0.00 C ATOM 610 C CYS A 43 -5.375 4.292 1.836 1.00 0.00 C ATOM 611 O CYS A 43 -6.119 4.493 2.795 1.00 0.00 O ATOM 612 CB CYS A 43 -3.226 5.249 0.983 1.00 0.00 C ATOM 613 SG CYS A 43 -2.435 6.186 -0.364 1.00 0.00 S ATOM 0 H CYS A 43 -4.637 6.814 2.678 1.00 0.00 H new ATOM 0 HA CYS A 43 -5.161 5.492 0.079 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.767 5.536 1.929 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.024 4.187 0.840 1.00 0.00 H new ATOM 618 N GLU A 44 -5.075 3.075 1.394 1.00 0.00 N ATOM 619 CA GLU A 44 -5.618 1.878 2.026 1.00 0.00 C ATOM 620 C GLU A 44 -4.532 0.822 2.215 1.00 0.00 C ATOM 621 O GLU A 44 -3.989 0.295 1.244 1.00 0.00 O ATOM 622 CB GLU A 44 -6.762 1.306 1.187 1.00 0.00 C ATOM 623 CG GLU A 44 -7.985 2.205 1.131 1.00 0.00 C ATOM 624 CD GLU A 44 -9.175 1.531 0.476 1.00 0.00 C ATOM 625 OE1 GLU A 44 -9.939 0.849 1.190 1.00 0.00 O ATOM 626 OE2 GLU A 44 -9.342 1.686 -0.752 1.00 0.00 O ATOM 0 H GLU A 44 -4.460 2.892 0.602 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.002 2.158 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.404 1.130 0.173 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.052 0.338 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.255 2.508 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.739 3.113 0.581 1.00 0.00 H new ATOM 633 N VAL A 45 -4.222 0.519 3.471 1.00 0.00 N ATOM 634 CA VAL A 45 -3.202 -0.473 3.788 1.00 0.00 C ATOM 635 C VAL A 45 -3.834 -1.779 4.257 1.00 0.00 C ATOM 636 O VAL A 45 -4.880 -1.778 4.904 1.00 0.00 O ATOM 637 CB VAL A 45 -2.240 0.038 4.877 1.00 0.00 C ATOM 638 CG1 VAL A 45 -1.455 1.240 4.374 1.00 0.00 C ATOM 639 CG2 VAL A 45 -3.006 0.384 6.145 1.00 0.00 C ATOM 0 H VAL A 45 -4.663 0.946 4.286 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.639 -0.652 2.872 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.532 -0.756 5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.781 1.588 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.876 0.955 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.146 2.040 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.311 0.743 6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.738 1.161 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.519 -0.504 6.514 1.00 0.00 H new ATOM 649 N ALA A 46 -3.190 -2.894 3.926 1.00 0.00 N ATOM 650 CA ALA A 46 -3.687 -4.208 4.315 1.00 0.00 C ATOM 651 C ALA A 46 -2.548 -5.112 4.775 1.00 0.00 C ATOM 652 O ALA A 46 -1.369 -4.799 4.607 1.00 0.00 O ATOM 653 CB ALA A 46 -4.440 -4.850 3.160 1.00 0.00 C ATOM 0 H ALA A 46 -2.323 -2.913 3.389 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.372 -4.077 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.806 -5.831 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.284 -4.219 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.771 -4.961 2.307 1.00 0.00 H new ATOM 659 N PRO A 47 -2.906 -6.259 5.370 1.00 0.00 N ATOM 660 CA PRO A 47 -1.928 -7.231 5.867 1.00 0.00 C ATOM 661 C PRO A 47 -1.185 -7.935 4.737 1.00 0.00 C ATOM 662 O PRO A 47 -1.743 -8.795 4.054 1.00 0.00 O ATOM 663 CB PRO A 47 -2.786 -8.231 6.647 1.00 0.00 C ATOM 664 CG PRO A 47 -4.139 -8.129 6.032 1.00 0.00 C ATOM 665 CD PRO A 47 -4.292 -6.696 5.604 1.00 0.00 C ATOM 0 HA PRO A 47 -1.151 -6.757 6.466 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -2.389 -9.243 6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.814 -7.985 7.709 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.232 -8.803 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.914 -8.408 6.746 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.898 -6.609 4.702 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.778 -6.096 6.374 1.00 0.00 H new ATOM 673 N LEU A 48 0.077 -7.567 4.544 1.00 0.00 N ATOM 674 CA LEU A 48 0.897 -8.164 3.496 1.00 0.00 C ATOM 675 C LEU A 48 0.473 -9.604 3.227 1.00 0.00 C ATOM 676 O LEU A 48 0.292 -10.002 2.076 1.00 0.00 O ATOM 677 CB LEU A 48 2.374 -8.121 3.890 1.00 0.00 C ATOM 678 CG LEU A 48 3.162 -6.900 3.412 1.00 0.00 C ATOM 679 CD1 LEU A 48 3.318 -6.925 1.899 1.00 0.00 C ATOM 680 CD2 LEU A 48 2.478 -5.616 3.859 1.00 0.00 C ATOM 0 H LEU A 48 0.555 -6.858 5.100 1.00 0.00 H new ATOM 0 HA LEU A 48 0.754 -7.586 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.441 -8.169 4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.859 -9.016 3.501 1.00 0.00 H new ATOM 0 HG LEU A 48 4.155 -6.934 3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.881 -6.049 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.852 -7.828 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.333 -6.916 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.052 -4.758 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.473 -5.575 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.419 -5.595 4.947 1.00 0.00 H new ATOM 692 N GLN A 49 0.314 -10.378 4.295 1.00 0.00 N ATOM 693 CA GLN A 49 -0.091 -11.774 4.173 1.00 0.00 C ATOM 694 C GLN A 49 -1.382 -11.898 3.371 1.00 0.00 C ATOM 695 O GLN A 49 -1.433 -12.602 2.363 1.00 0.00 O ATOM 696 CB GLN A 49 -0.274 -12.397 5.558 1.00 0.00 C ATOM 697 CG GLN A 49 1.027 -12.856 6.196 1.00 0.00 C ATOM 698 CD GLN A 49 0.805 -13.638 7.476 1.00 0.00 C ATOM 699 OE1 GLN A 49 -0.265 -14.206 7.692 1.00 0.00 O ATOM 700 NE2 GLN A 49 1.819 -13.669 8.333 1.00 0.00 N ATOM 0 H GLN A 49 0.459 -10.063 5.254 1.00 0.00 H new ATOM 0 HA GLN A 49 0.697 -12.310 3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.754 -11.670 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.950 -13.249 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.576 -13.475 5.487 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.649 -11.987 6.409 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.688 -13.183 8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.728 -14.179 9.212 1.00 0.00 H new ATOM 709 N SER A 50 -2.424 -11.210 3.827 1.00 0.00 N ATOM 710 CA SER A 50 -3.718 -11.246 3.155 1.00 0.00 C ATOM 711 C SER A 50 -3.998 -9.926 2.444 1.00 0.00 C ATOM 712 O SER A 50 -4.597 -9.015 3.015 1.00 0.00 O ATOM 713 CB SER A 50 -4.831 -11.544 4.161 1.00 0.00 C ATOM 714 OG SER A 50 -6.003 -11.996 3.505 1.00 0.00 O ATOM 0 H SER A 50 -2.397 -10.621 4.659 1.00 0.00 H new ATOM 0 HA SER A 50 -3.691 -12.041 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.492 -12.300 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.056 -10.646 4.736 1.00 0.00 H new ATOM 0 HG SER A 50 -6.699 -12.181 4.170 1.00 0.00 H new ATOM 720 N VAL A 51 -3.560 -9.830 1.192 1.00 0.00 N ATOM 721 CA VAL A 51 -3.764 -8.622 0.402 1.00 0.00 C ATOM 722 C VAL A 51 -5.006 -8.742 -0.474 1.00 0.00 C ATOM 723 O VAL A 51 -4.996 -9.435 -1.492 1.00 0.00 O ATOM 724 CB VAL A 51 -2.545 -8.324 -0.492 1.00 0.00 C ATOM 725 CG1 VAL A 51 -2.790 -7.079 -1.331 1.00 0.00 C ATOM 726 CG2 VAL A 51 -1.290 -8.169 0.353 1.00 0.00 C ATOM 0 H VAL A 51 -3.062 -10.574 0.704 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.898 -7.801 1.107 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.398 -9.166 -1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.918 -6.884 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.664 -7.233 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.964 -6.226 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.439 -7.959 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.423 -7.346 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.107 -9.091 0.905 1.00 0.00 H new ATOM 736 N PHE A 52 -6.074 -8.061 -0.072 1.00 0.00 N ATOM 737 CA PHE A 52 -7.325 -8.091 -0.821 1.00 0.00 C ATOM 738 C PHE A 52 -7.872 -9.513 -0.910 1.00 0.00 C ATOM 739 O PHE A 52 -8.294 -9.961 -1.976 1.00 0.00 O ATOM 740 CB PHE A 52 -7.118 -7.523 -2.226 1.00 0.00 C ATOM 741 CG PHE A 52 -8.348 -7.586 -3.086 1.00 0.00 C ATOM 742 CD1 PHE A 52 -9.514 -6.946 -2.697 1.00 0.00 C ATOM 743 CD2 PHE A 52 -8.338 -8.285 -4.282 1.00 0.00 C ATOM 744 CE1 PHE A 52 -10.647 -7.001 -3.486 1.00 0.00 C ATOM 745 CE2 PHE A 52 -9.469 -8.343 -5.075 1.00 0.00 C ATOM 746 CZ PHE A 52 -10.625 -7.701 -4.676 1.00 0.00 C ATOM 0 H PHE A 52 -6.098 -7.482 0.767 1.00 0.00 H new ATOM 0 HA PHE A 52 -8.051 -7.474 -0.291 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.794 -6.486 -2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.313 -8.071 -2.716 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -9.537 -6.398 -1.767 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.437 -8.790 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.549 -6.497 -3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.449 -8.890 -6.006 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.510 -7.746 -5.294 1.00 0.00 H new ATOM 756 N GLN A 53 -7.859 -10.218 0.217 1.00 0.00 N ATOM 757 CA GLN A 53 -8.352 -11.589 0.266 1.00 0.00 C ATOM 758 C GLN A 53 -9.397 -11.753 1.364 1.00 0.00 C ATOM 759 O GLN A 53 -10.439 -12.373 1.156 1.00 0.00 O ATOM 760 CB GLN A 53 -7.194 -12.561 0.497 1.00 0.00 C ATOM 761 CG GLN A 53 -7.642 -13.993 0.743 1.00 0.00 C ATOM 762 CD GLN A 53 -7.788 -14.787 -0.541 1.00 0.00 C ATOM 763 OE1 GLN A 53 -6.910 -14.761 -1.404 1.00 0.00 O ATOM 764 NE2 GLN A 53 -8.901 -15.499 -0.673 1.00 0.00 N ATOM 0 H GLN A 53 -7.512 -9.862 1.108 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.821 -11.815 -0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.534 -12.539 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.609 -12.220 1.351 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.921 -14.489 1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.595 -13.986 1.272 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.602 -15.491 0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.055 -16.054 -1.515 1.00 0.00 H new ATOM 773 N GLY A 54 -9.110 -11.194 2.536 1.00 0.00 N ATOM 774 CA GLY A 54 -10.035 -11.291 3.650 1.00 0.00 C ATOM 775 C GLY A 54 -10.278 -9.952 4.320 1.00 0.00 C ATOM 776 O GLY A 54 -11.212 -9.235 3.964 1.00 0.00 O ATOM 0 H GLY A 54 -8.254 -10.676 2.734 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.984 -11.694 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.643 -11.995 4.384 1.00 0.00 H new ATOM 780 N GLN A 55 -9.436 -9.617 5.292 1.00 0.00 N ATOM 781 CA GLN A 55 -9.566 -8.357 6.014 1.00 0.00 C ATOM 782 C GLN A 55 -9.230 -7.175 5.110 1.00 0.00 C ATOM 783 O GLN A 55 -8.305 -7.241 4.301 1.00 0.00 O ATOM 784 CB GLN A 55 -8.653 -8.351 7.241 1.00 0.00 C ATOM 785 CG GLN A 55 -9.076 -7.356 8.310 1.00 0.00 C ATOM 786 CD GLN A 55 -8.831 -5.918 7.898 1.00 0.00 C ATOM 787 OE1 GLN A 55 -7.732 -5.560 7.475 1.00 0.00 O ATOM 788 NE2 GLN A 55 -9.857 -5.084 8.020 1.00 0.00 N ATOM 0 H GLN A 55 -8.657 -10.200 5.598 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.601 -8.259 6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -8.634 -9.351 7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.635 -8.121 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.135 -7.492 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -8.531 -7.564 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.751 -5.424 8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.751 -4.104 7.758 1.00 0.00 H new ATOM 797 N LYS A 56 -9.989 -6.093 5.253 1.00 0.00 N ATOM 798 CA LYS A 56 -9.773 -4.895 4.451 1.00 0.00 C ATOM 799 C LYS A 56 -9.999 -3.636 5.282 1.00 0.00 C ATOM 800 O LYS A 56 -10.848 -3.611 6.173 1.00 0.00 O ATOM 801 CB LYS A 56 -10.706 -4.893 3.238 1.00 0.00 C ATOM 802 CG LYS A 56 -10.223 -4.010 2.101 1.00 0.00 C ATOM 803 CD LYS A 56 -11.358 -3.642 1.160 1.00 0.00 C ATOM 804 CE LYS A 56 -12.091 -2.396 1.630 1.00 0.00 C ATOM 805 NZ LYS A 56 -13.453 -2.296 1.038 1.00 0.00 N ATOM 0 H LYS A 56 -10.760 -6.022 5.918 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.739 -4.901 4.106 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.815 -5.914 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.695 -4.559 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.778 -3.102 2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.441 -4.527 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.962 -3.476 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.059 -4.474 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.168 -2.409 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.513 -1.512 1.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -13.826 -1.337 1.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.404 -2.495 0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.082 -2.986 1.496 1.00 0.00 H new ATOM 819 N THR A 57 -9.233 -2.590 4.984 1.00 0.00 N ATOM 820 CA THR A 57 -9.350 -1.328 5.703 1.00 0.00 C ATOM 821 C THR A 57 -10.801 -1.038 6.071 1.00 0.00 C ATOM 822 O THR A 57 -11.716 -1.338 5.306 1.00 0.00 O ATOM 823 CB THR A 57 -8.798 -0.155 4.872 1.00 0.00 C ATOM 824 OG1 THR A 57 -7.435 -0.406 4.514 1.00 0.00 O ATOM 825 CG2 THR A 57 -8.892 1.150 5.649 1.00 0.00 C ATOM 0 H THR A 57 -8.525 -2.593 4.250 1.00 0.00 H new ATOM 0 HA THR A 57 -8.760 -1.427 6.614 1.00 0.00 H new ATOM 0 HB THR A 57 -9.399 -0.065 3.967 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.065 -1.098 5.101 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.496 1.964 5.042 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.934 1.353 5.894 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.313 1.068 6.569 1.00 0.00 H new ATOM 833 N GLU A 58 -11.002 -0.450 7.247 1.00 0.00 N ATOM 834 CA GLU A 58 -12.343 -0.120 7.715 1.00 0.00 C ATOM 835 C GLU A 58 -12.697 1.325 7.376 1.00 0.00 C ATOM 836 O GLU A 58 -13.697 1.591 6.709 1.00 0.00 O ATOM 837 CB GLU A 58 -12.449 -0.341 9.226 1.00 0.00 C ATOM 838 CG GLU A 58 -13.870 -0.576 9.708 1.00 0.00 C ATOM 839 CD GLU A 58 -14.401 -1.942 9.318 1.00 0.00 C ATOM 840 OE1 GLU A 58 -14.549 -2.196 8.104 1.00 0.00 O ATOM 841 OE2 GLU A 58 -14.667 -2.756 10.226 1.00 0.00 O ATOM 0 H GLU A 58 -10.254 -0.193 7.892 1.00 0.00 H new ATOM 0 HA GLU A 58 -13.049 -0.778 7.208 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.834 -1.197 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.038 0.527 9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.903 -0.474 10.793 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.522 0.194 9.295 1.00 0.00 H new ATOM 848 N SER A 59 -11.869 2.256 7.840 1.00 0.00 N ATOM 849 CA SER A 59 -12.095 3.674 7.591 1.00 0.00 C ATOM 850 C SER A 59 -12.551 3.907 6.153 1.00 0.00 C ATOM 851 O SER A 59 -12.038 3.291 5.220 1.00 0.00 O ATOM 852 CB SER A 59 -10.821 4.473 7.869 1.00 0.00 C ATOM 853 OG SER A 59 -9.863 4.279 6.843 1.00 0.00 O ATOM 0 H SER A 59 -11.035 2.053 8.391 1.00 0.00 H new ATOM 0 HA SER A 59 -12.882 4.014 8.264 1.00 0.00 H new ATOM 0 HB2 SER A 59 -11.063 5.533 7.949 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.399 4.169 8.827 1.00 0.00 H new ATOM 0 HG SER A 59 -9.059 4.802 7.043 1.00 0.00 H new ATOM 859 N GLY A 60 -13.521 4.801 5.983 1.00 0.00 N ATOM 860 CA GLY A 60 -14.031 5.100 4.658 1.00 0.00 C ATOM 861 C GLY A 60 -15.534 4.932 4.564 1.00 0.00 C ATOM 862 O GLY A 60 -16.083 3.873 4.869 1.00 0.00 O ATOM 0 H GLY A 60 -13.962 5.323 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.766 6.123 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.549 4.447 3.931 1.00 0.00 H new ATOM 866 N PRO A 61 -16.226 5.998 4.134 1.00 0.00 N ATOM 867 CA PRO A 61 -17.685 5.989 3.992 1.00 0.00 C ATOM 868 C PRO A 61 -18.151 5.101 2.844 1.00 0.00 C ATOM 869 O PRO A 61 -19.348 4.879 2.663 1.00 0.00 O ATOM 870 CB PRO A 61 -18.022 7.455 3.705 1.00 0.00 C ATOM 871 CG PRO A 61 -16.783 8.017 3.100 1.00 0.00 C ATOM 872 CD PRO A 61 -15.638 7.293 3.753 1.00 0.00 C ATOM 0 HA PRO A 61 -18.178 5.589 4.878 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -18.869 7.541 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -18.292 7.985 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -16.774 7.868 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -16.716 9.091 3.274 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -14.799 7.168 3.068 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -15.263 7.835 4.621 1.00 0.00 H new ATOM 880 N SER A 62 -17.197 4.593 2.070 1.00 0.00 N ATOM 881 CA SER A 62 -17.510 3.731 0.936 1.00 0.00 C ATOM 882 C SER A 62 -16.349 2.788 0.635 1.00 0.00 C ATOM 883 O SER A 62 -15.200 3.071 0.972 1.00 0.00 O ATOM 884 CB SER A 62 -17.830 4.574 -0.300 1.00 0.00 C ATOM 885 OG SER A 62 -17.975 3.759 -1.450 1.00 0.00 O ATOM 0 H SER A 62 -16.201 4.764 2.208 1.00 0.00 H new ATOM 0 HA SER A 62 -18.384 3.134 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 62 -18.748 5.138 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.035 5.301 -0.464 1.00 0.00 H new ATOM 0 HG SER A 62 -18.181 4.321 -2.226 1.00 0.00 H new ATOM 891 N SER A 63 -16.659 1.663 -0.003 1.00 0.00 N ATOM 892 CA SER A 63 -15.644 0.675 -0.347 1.00 0.00 C ATOM 893 C SER A 63 -15.269 0.773 -1.823 1.00 0.00 C ATOM 894 O SER A 63 -15.805 0.049 -2.661 1.00 0.00 O ATOM 895 CB SER A 63 -16.146 -0.735 -0.030 1.00 0.00 C ATOM 896 OG SER A 63 -17.314 -1.040 -0.772 1.00 0.00 O ATOM 0 H SER A 63 -17.605 1.414 -0.292 1.00 0.00 H new ATOM 0 HA SER A 63 -14.756 0.880 0.251 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.366 -1.462 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.357 -0.818 1.036 1.00 0.00 H new ATOM 0 HG SER A 63 -17.148 -0.879 -1.724 1.00 0.00 H new ATOM 902 N GLY A 64 -14.343 1.675 -2.133 1.00 0.00 N ATOM 903 CA GLY A 64 -13.911 1.852 -3.507 1.00 0.00 C ATOM 904 C GLY A 64 -13.205 3.176 -3.727 1.00 0.00 C ATOM 905 O GLY A 64 -13.658 3.966 -4.553 1.00 0.00 O ATOM 0 H GLY A 64 -13.884 2.286 -1.457 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.242 1.037 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.776 1.791 -4.167 1.00 0.00 H new TER 909 GLY A 64 HETATM 910 ZN ZN A 201 7.452 4.274 5.935 1.00 0.00 ZN HETATM 911 ZN ZN A 401 -0.317 5.091 -0.400 1.00 0.00 ZN