USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 4 THR OG1 : rot -118:sc= 0.423! USER MOD Set 1.2: A 46 THR OG1 : rot 180:sc= -2.74! USER MOD Set 2.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0367 USER MOD Single : A 12 MET CE :methyl -129:sc= -17.3! (180deg=-18!) USER MOD Single : A 13 THR OG1 : rot -65:sc= 0.968 USER MOD Single : A 14 CYS SG : rot 180:sc= -1.35! USER MOD Single : A 17 CYS SG : rot 82:sc= 0.104 USER MOD Single : A 20 THR OG1 : rot 7:sc= -2.3! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.152 (180deg=-0.516) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 49:sc= 0.335 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0941 USER MOD Single : A 55 GLN : amide:sc=-0.000528 X(o=-0.00053,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 121:sc= -1.81! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -120:sc= -1.93! USER MOD Single : A 66 TYR OH : rot 150:sc= 0 USER MOD Single : A 68 SER OG : rot -67:sc= -6.4! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.978 2.354 0.545 1.00 0.00 N ATOM 2 CA ALA A 1 16.882 1.457 0.077 1.00 0.00 C ATOM 3 C ALA A 1 15.757 1.418 1.112 1.00 0.00 C ATOM 4 O ALA A 1 15.343 0.370 1.546 1.00 0.00 O ATOM 5 CB ALA A 1 17.528 0.082 -0.061 1.00 0.00 C ATOM 0 H1 ALA A 1 18.738 2.374 -0.165 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.606 3.316 0.680 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.356 1.999 1.446 1.00 0.00 H new ATOM 0 HA ALA A 1 16.442 1.796 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.784 -0.637 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.342 0.133 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.921 -0.234 0.905 1.00 0.00 H new ATOM 13 N THR A 2 15.259 2.561 1.489 1.00 0.00 N ATOM 14 CA THR A 2 14.162 2.643 2.475 1.00 0.00 C ATOM 15 C THR A 2 13.261 3.794 2.051 1.00 0.00 C ATOM 16 O THR A 2 13.432 4.923 2.468 1.00 0.00 O ATOM 17 CB THR A 2 14.835 2.958 3.804 1.00 0.00 C ATOM 18 OG1 THR A 2 16.179 3.357 3.576 1.00 0.00 O ATOM 19 CG2 THR A 2 14.810 1.721 4.700 1.00 0.00 C ATOM 0 H THR A 2 15.580 3.464 1.141 1.00 0.00 H new ATOM 0 HA THR A 2 13.567 1.732 2.548 1.00 0.00 H new ATOM 0 HB THR A 2 14.298 3.769 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 2 16.609 3.561 4.432 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.292 1.950 5.650 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.777 1.423 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.343 0.906 4.210 1.00 0.00 H new ATOM 27 N GLN A 3 12.336 3.525 1.190 1.00 0.00 N ATOM 28 CA GLN A 3 11.454 4.619 0.690 1.00 0.00 C ATOM 29 C GLN A 3 10.036 4.483 1.243 1.00 0.00 C ATOM 30 O GLN A 3 9.583 3.407 1.572 1.00 0.00 O ATOM 31 CB GLN A 3 11.447 4.460 -0.833 1.00 0.00 C ATOM 32 CG GLN A 3 12.877 4.282 -1.352 1.00 0.00 C ATOM 33 CD GLN A 3 13.350 5.582 -2.005 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.884 5.569 -3.097 1.00 0.00 O ATOM 35 NE2 GLN A 3 13.178 6.713 -1.377 1.00 0.00 N ATOM 0 H GLN A 3 12.145 2.600 0.806 1.00 0.00 H new ATOM 0 HA GLN A 3 11.815 5.598 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.841 3.599 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 3 10.991 5.335 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.542 4.012 -0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.914 3.466 -2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.730 6.725 -0.461 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.492 7.585 -1.802 1.00 0.00 H new ATOM 44 N THR A 4 9.334 5.578 1.342 1.00 0.00 N ATOM 45 CA THR A 4 7.943 5.534 1.871 1.00 0.00 C ATOM 46 C THR A 4 7.025 6.386 0.994 1.00 0.00 C ATOM 47 O THR A 4 7.335 7.513 0.662 1.00 0.00 O ATOM 48 CB THR A 4 8.039 6.124 3.279 1.00 0.00 C ATOM 49 OG1 THR A 4 9.101 5.496 3.982 1.00 0.00 O ATOM 50 CG2 THR A 4 6.722 5.899 4.024 1.00 0.00 C ATOM 0 H THR A 4 9.666 6.505 1.078 1.00 0.00 H new ATOM 0 HA THR A 4 7.531 4.525 1.880 1.00 0.00 H new ATOM 0 HB THR A 4 8.232 7.195 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.744 5.031 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.794 6.321 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.910 6.386 3.483 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.521 4.830 4.094 1.00 0.00 H new ATOM 58 N VAL A 5 5.897 5.856 0.616 1.00 0.00 N ATOM 59 CA VAL A 5 4.959 6.634 -0.240 1.00 0.00 C ATOM 60 C VAL A 5 3.536 6.486 0.274 1.00 0.00 C ATOM 61 O VAL A 5 3.251 5.693 1.147 1.00 0.00 O ATOM 62 CB VAL A 5 5.090 6.023 -1.632 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.551 6.090 -2.077 1.00 0.00 C ATOM 64 CG2 VAL A 5 4.633 4.564 -1.597 1.00 0.00 C ATOM 0 H VAL A 5 5.583 4.917 0.862 1.00 0.00 H new ATOM 0 HA VAL A 5 5.189 7.699 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 5 4.468 6.578 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.649 5.654 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.876 7.130 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.171 5.533 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.727 4.129 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 5 5.254 4.005 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.592 4.516 -1.277 1.00 0.00 H new ATOM 74 N THR A 6 2.643 7.239 -0.276 1.00 0.00 N ATOM 75 CA THR A 6 1.235 7.160 0.141 1.00 0.00 C ATOM 76 C THR A 6 0.469 6.474 -0.974 1.00 0.00 C ATOM 77 O THR A 6 0.884 6.497 -2.112 1.00 0.00 O ATOM 78 CB THR A 6 0.799 8.613 0.283 1.00 0.00 C ATOM 79 OG1 THR A 6 1.526 9.414 -0.638 1.00 0.00 O ATOM 80 CG2 THR A 6 1.077 9.093 1.703 1.00 0.00 C ATOM 0 H THR A 6 2.835 7.919 -1.012 1.00 0.00 H new ATOM 0 HA THR A 6 1.069 6.606 1.065 1.00 0.00 H new ATOM 0 HB THR A 6 -0.268 8.695 0.076 1.00 0.00 H new ATOM 0 HG1 THR A 6 1.246 10.349 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.765 10.132 1.803 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.522 8.477 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 6 2.144 9.013 1.912 1.00 0.00 H new ATOM 88 N LEU A 7 -0.628 5.856 -0.682 1.00 0.00 N ATOM 89 CA LEU A 7 -1.360 5.170 -1.779 1.00 0.00 C ATOM 90 C LEU A 7 -2.830 5.555 -1.784 1.00 0.00 C ATOM 91 O LEU A 7 -3.394 5.973 -0.791 1.00 0.00 O ATOM 92 CB LEU A 7 -1.197 3.666 -1.526 1.00 0.00 C ATOM 93 CG LEU A 7 -0.336 3.052 -2.633 1.00 0.00 C ATOM 94 CD1 LEU A 7 0.978 3.815 -2.735 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.028 1.589 -2.308 1.00 0.00 C ATOM 0 H LEU A 7 -1.048 5.792 0.246 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.961 5.457 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.733 3.498 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.174 3.183 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.880 3.111 -3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.592 3.379 -3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.775 4.860 -2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.509 3.753 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.585 1.161 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.511 1.532 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.960 1.030 -2.228 1.00 0.00 H new ATOM 107 N ALA A 8 -3.444 5.406 -2.912 1.00 0.00 N ATOM 108 CA ALA A 8 -4.888 5.743 -3.044 1.00 0.00 C ATOM 109 C ALA A 8 -5.634 4.550 -3.637 1.00 0.00 C ATOM 110 O ALA A 8 -5.436 4.190 -4.779 1.00 0.00 O ATOM 111 CB ALA A 8 -4.930 6.934 -4.001 1.00 0.00 C ATOM 0 H ALA A 8 -3.005 5.060 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.356 5.979 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.964 7.244 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.361 7.761 -3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.495 6.647 -4.958 1.00 0.00 H new ATOM 117 N VAL A 9 -6.480 3.921 -2.875 1.00 0.00 N ATOM 118 CA VAL A 9 -7.212 2.739 -3.413 1.00 0.00 C ATOM 119 C VAL A 9 -8.727 2.990 -3.457 1.00 0.00 C ATOM 120 O VAL A 9 -9.461 2.458 -2.648 1.00 0.00 O ATOM 121 CB VAL A 9 -6.881 1.615 -2.437 1.00 0.00 C ATOM 122 CG1 VAL A 9 -7.550 0.329 -2.905 1.00 0.00 C ATOM 123 CG2 VAL A 9 -5.364 1.414 -2.391 1.00 0.00 C ATOM 0 H VAL A 9 -6.697 4.169 -1.910 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.919 2.508 -4.437 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.244 1.874 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.316 -0.477 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.630 0.473 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.184 0.069 -3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.124 0.611 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.001 1.152 -3.385 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.885 2.336 -2.061 1.00 0.00 H new ATOM 133 N PRO A 10 -9.152 3.789 -4.408 1.00 0.00 N ATOM 134 CA PRO A 10 -10.595 4.105 -4.557 1.00 0.00 C ATOM 135 C PRO A 10 -11.394 2.866 -4.984 1.00 0.00 C ATOM 136 O PRO A 10 -12.606 2.900 -5.064 1.00 0.00 O ATOM 137 CB PRO A 10 -10.592 5.157 -5.670 1.00 0.00 C ATOM 138 CG PRO A 10 -9.166 5.268 -6.240 1.00 0.00 C ATOM 139 CD PRO A 10 -8.224 4.420 -5.377 1.00 0.00 C ATOM 0 HA PRO A 10 -11.059 4.446 -3.631 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.293 4.877 -6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.919 6.121 -5.280 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.144 4.923 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.841 6.308 -6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.690 3.677 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.471 5.031 -4.878 1.00 0.00 H new ATOM 147 N GLY A 11 -10.734 1.774 -5.262 1.00 0.00 N ATOM 148 CA GLY A 11 -11.472 0.549 -5.684 1.00 0.00 C ATOM 149 C GLY A 11 -12.533 0.211 -4.638 1.00 0.00 C ATOM 150 O GLY A 11 -13.509 -0.457 -4.919 1.00 0.00 O ATOM 0 H GLY A 11 -9.720 1.677 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.941 0.710 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.780 -0.285 -5.798 1.00 0.00 H new ATOM 154 N MET A 12 -12.347 0.665 -3.431 1.00 0.00 N ATOM 155 CA MET A 12 -13.340 0.373 -2.357 1.00 0.00 C ATOM 156 C MET A 12 -13.445 1.580 -1.425 1.00 0.00 C ATOM 157 O MET A 12 -12.788 2.582 -1.620 1.00 0.00 O ATOM 158 CB MET A 12 -12.805 -0.832 -1.572 1.00 0.00 C ATOM 159 CG MET A 12 -11.920 -1.706 -2.458 1.00 0.00 C ATOM 160 SD MET A 12 -10.273 -0.968 -2.554 1.00 0.00 S ATOM 161 CE MET A 12 -9.774 -1.354 -0.866 1.00 0.00 C ATOM 0 H MET A 12 -11.548 1.228 -3.139 1.00 0.00 H new ATOM 0 HA MET A 12 -14.325 0.165 -2.775 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.235 -0.486 -0.709 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.638 -1.421 -1.188 1.00 0.00 H new ATOM 0 HG2 MET A 12 -11.857 -2.715 -2.050 1.00 0.00 H new ATOM 0 HG3 MET A 12 -12.353 -1.792 -3.455 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.399 -0.452 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 12 -10.632 -1.734 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.989 -2.110 -0.883 1.00 0.00 H new ATOM 171 N THR A 13 -14.253 1.495 -0.408 1.00 0.00 N ATOM 172 CA THR A 13 -14.370 2.646 0.529 1.00 0.00 C ATOM 173 C THR A 13 -15.405 2.356 1.615 1.00 0.00 C ATOM 174 O THR A 13 -16.499 2.884 1.581 1.00 0.00 O ATOM 175 CB THR A 13 -14.828 3.818 -0.342 1.00 0.00 C ATOM 176 OG1 THR A 13 -15.306 4.866 0.489 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.949 3.356 -1.278 1.00 0.00 C ATOM 0 H THR A 13 -14.833 0.686 -0.185 1.00 0.00 H new ATOM 0 HA THR A 13 -13.429 2.852 1.040 1.00 0.00 H new ATOM 0 HB THR A 13 -13.988 4.178 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.113 4.569 0.959 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.274 4.192 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.582 2.553 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.790 2.994 -0.687 1.00 0.00 H new ATOM 185 N CYS A 14 -15.094 1.536 2.587 1.00 0.00 N ATOM 186 CA CYS A 14 -16.121 1.278 3.638 1.00 0.00 C ATOM 187 C CYS A 14 -15.474 0.981 5.001 1.00 0.00 C ATOM 188 O CYS A 14 -15.767 1.642 5.977 1.00 0.00 O ATOM 189 CB CYS A 14 -16.983 0.117 3.086 1.00 0.00 C ATOM 190 SG CYS A 14 -16.631 -1.466 3.903 1.00 0.00 S ATOM 0 H CYS A 14 -14.204 1.049 2.697 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.746 2.149 3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.038 0.360 3.213 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.806 0.016 2.015 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.387 -2.394 3.396 1.00 0.00 H new ATOM 195 N ALA A 15 -14.609 0.009 5.097 1.00 0.00 N ATOM 196 CA ALA A 15 -13.989 -0.271 6.423 1.00 0.00 C ATOM 197 C ALA A 15 -13.068 -1.490 6.361 1.00 0.00 C ATOM 198 O ALA A 15 -12.151 -1.618 7.142 1.00 0.00 O ATOM 199 CB ALA A 15 -15.169 -0.544 7.354 1.00 0.00 C ATOM 0 H ALA A 15 -14.309 -0.593 4.331 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.371 0.560 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.799 -0.760 8.356 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.816 0.332 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.735 -1.399 6.984 1.00 0.00 H new ATOM 205 N ALA A 16 -13.318 -2.403 5.466 1.00 0.00 N ATOM 206 CA ALA A 16 -12.460 -3.621 5.401 1.00 0.00 C ATOM 207 C ALA A 16 -11.683 -3.693 4.086 1.00 0.00 C ATOM 208 O ALA A 16 -10.533 -4.076 4.068 1.00 0.00 O ATOM 209 CB ALA A 16 -13.434 -4.794 5.497 1.00 0.00 C ATOM 0 H ALA A 16 -14.073 -2.361 4.781 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.715 -3.623 6.197 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.880 -5.732 5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -13.981 -4.737 6.438 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.137 -4.752 4.665 1.00 0.00 H new ATOM 215 N CYS A 17 -12.297 -3.348 2.986 1.00 0.00 N ATOM 216 CA CYS A 17 -11.570 -3.428 1.681 1.00 0.00 C ATOM 217 C CYS A 17 -10.419 -2.418 1.625 1.00 0.00 C ATOM 218 O CYS A 17 -9.323 -2.783 1.252 1.00 0.00 O ATOM 219 CB CYS A 17 -12.607 -3.150 0.585 1.00 0.00 C ATOM 220 SG CYS A 17 -14.135 -4.052 0.944 1.00 0.00 S ATOM 0 H CYS A 17 -13.260 -3.017 2.931 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.118 -4.411 1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.810 -2.081 0.527 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -12.214 -3.453 -0.385 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.842 -3.382 1.805 1.00 0.00 H new ATOM 225 N PRO A 18 -10.661 -1.181 1.994 1.00 0.00 N ATOM 226 CA PRO A 18 -9.567 -0.191 1.954 1.00 0.00 C ATOM 227 C PRO A 18 -8.493 -0.657 2.930 1.00 0.00 C ATOM 228 O PRO A 18 -7.310 -0.567 2.670 1.00 0.00 O ATOM 229 CB PRO A 18 -10.253 1.099 2.398 1.00 0.00 C ATOM 230 CG PRO A 18 -11.702 0.766 2.808 1.00 0.00 C ATOM 231 CD PRO A 18 -11.982 -0.710 2.478 1.00 0.00 C ATOM 0 HA PRO A 18 -9.078 -0.058 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.716 1.545 3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.247 1.829 1.589 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.845 0.949 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.402 1.411 2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.316 -1.266 3.354 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.756 -0.817 1.718 1.00 0.00 H new ATOM 239 N ILE A 19 -8.914 -1.200 4.038 1.00 0.00 N ATOM 240 CA ILE A 19 -7.938 -1.738 5.029 1.00 0.00 C ATOM 241 C ILE A 19 -7.261 -2.983 4.424 1.00 0.00 C ATOM 242 O ILE A 19 -6.145 -3.339 4.768 1.00 0.00 O ATOM 243 CB ILE A 19 -8.791 -2.076 6.266 1.00 0.00 C ATOM 244 CG1 ILE A 19 -8.298 -1.242 7.452 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.702 -3.568 6.623 1.00 0.00 C ATOM 246 CD1 ILE A 19 -9.386 -1.172 8.524 1.00 0.00 C ATOM 0 H ILE A 19 -9.895 -1.295 4.302 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.139 -1.045 5.293 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.832 -1.845 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.393 -1.684 7.868 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.038 -0.237 7.119 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.316 -3.769 7.501 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.061 -4.165 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.666 -3.830 6.838 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -9.030 -0.578 9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.280 -0.710 8.105 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.625 -2.179 8.866 1.00 0.00 H new ATOM 258 N THR A 20 -7.924 -3.628 3.497 1.00 0.00 N ATOM 259 CA THR A 20 -7.314 -4.817 2.845 1.00 0.00 C ATOM 260 C THR A 20 -6.070 -4.352 2.115 1.00 0.00 C ATOM 261 O THR A 20 -5.177 -5.119 1.813 1.00 0.00 O ATOM 262 CB THR A 20 -8.352 -5.331 1.843 1.00 0.00 C ATOM 263 OG1 THR A 20 -9.611 -5.463 2.483 1.00 0.00 O ATOM 264 CG2 THR A 20 -7.908 -6.693 1.311 1.00 0.00 C ATOM 0 H THR A 20 -8.857 -3.381 3.168 1.00 0.00 H new ATOM 0 HA THR A 20 -7.043 -5.600 3.553 1.00 0.00 H new ATOM 0 HB THR A 20 -8.440 -4.624 1.018 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.558 -5.094 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.644 -7.062 0.597 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.942 -6.593 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.821 -7.396 2.139 1.00 0.00 H new ATOM 272 N VAL A 21 -6.006 -3.078 1.846 1.00 0.00 N ATOM 273 CA VAL A 21 -4.827 -2.529 1.156 1.00 0.00 C ATOM 274 C VAL A 21 -3.675 -2.483 2.147 1.00 0.00 C ATOM 275 O VAL A 21 -2.533 -2.698 1.801 1.00 0.00 O ATOM 276 CB VAL A 21 -5.235 -1.123 0.720 1.00 0.00 C ATOM 277 CG1 VAL A 21 -4.111 -0.501 -0.109 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.506 -1.203 -0.127 1.00 0.00 C ATOM 0 H VAL A 21 -6.729 -2.397 2.079 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.509 -3.122 0.299 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.421 -0.508 1.601 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.401 0.502 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.203 -0.446 0.492 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.926 -1.115 -0.990 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.799 -0.201 -0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.318 -1.817 -1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.308 -1.649 0.462 1.00 0.00 H new ATOM 288 N LYS A 22 -3.981 -2.244 3.393 1.00 0.00 N ATOM 289 CA LYS A 22 -2.912 -2.221 4.418 1.00 0.00 C ATOM 290 C LYS A 22 -2.296 -3.609 4.459 1.00 0.00 C ATOM 291 O LYS A 22 -1.108 -3.780 4.650 1.00 0.00 O ATOM 292 CB LYS A 22 -3.619 -1.873 5.739 1.00 0.00 C ATOM 293 CG LYS A 22 -2.976 -2.625 6.913 1.00 0.00 C ATOM 294 CD LYS A 22 -2.982 -1.737 8.160 1.00 0.00 C ATOM 295 CE LYS A 22 -1.588 -1.731 8.792 1.00 0.00 C ATOM 296 NZ LYS A 22 -1.829 -1.623 10.259 1.00 0.00 N ATOM 0 H LYS A 22 -4.923 -2.065 3.740 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.118 -1.501 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.564 -0.799 5.915 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.676 -2.131 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.522 -3.548 7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.954 -2.907 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.276 -0.722 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.716 -2.105 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.040 -2.641 8.548 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.993 -0.894 8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.918 -1.613 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.346 -0.744 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.392 -2.437 10.579 1.00 0.00 H new ATOM 310 N LYS A 23 -3.113 -4.604 4.266 1.00 0.00 N ATOM 311 CA LYS A 23 -2.597 -5.992 4.277 1.00 0.00 C ATOM 312 C LYS A 23 -1.681 -6.214 3.075 1.00 0.00 C ATOM 313 O LYS A 23 -0.619 -6.795 3.174 1.00 0.00 O ATOM 314 CB LYS A 23 -3.840 -6.880 4.184 1.00 0.00 C ATOM 315 CG LYS A 23 -3.437 -8.285 3.733 1.00 0.00 C ATOM 316 CD LYS A 23 -2.310 -8.802 4.628 1.00 0.00 C ATOM 317 CE LYS A 23 -2.761 -10.087 5.325 1.00 0.00 C ATOM 318 NZ LYS A 23 -2.702 -11.137 4.270 1.00 0.00 N ATOM 0 H LYS A 23 -4.115 -4.513 4.101 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.012 -6.213 5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.338 -6.927 5.152 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.553 -6.452 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.295 -8.956 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.111 -8.266 2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.417 -8.993 4.033 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.044 -8.048 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.108 -10.332 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.770 -9.986 5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.622 -11.618 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.477 -10.697 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.965 -11.830 4.511 1.00 0.00 H new ATOM 332 N ALA A 24 -2.107 -5.756 1.943 1.00 0.00 N ATOM 333 CA ALA A 24 -1.308 -5.921 0.699 1.00 0.00 C ATOM 334 C ALA A 24 0.088 -5.305 0.852 1.00 0.00 C ATOM 335 O ALA A 24 1.085 -5.948 0.592 1.00 0.00 O ATOM 336 CB ALA A 24 -2.100 -5.182 -0.378 1.00 0.00 C ATOM 0 H ALA A 24 -2.992 -5.264 1.819 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.155 -6.972 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.576 -5.256 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.090 -5.629 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.201 -4.133 -0.100 1.00 0.00 H new ATOM 342 N LEU A 25 0.173 -4.067 1.262 1.00 0.00 N ATOM 343 CA LEU A 25 1.517 -3.431 1.415 1.00 0.00 C ATOM 344 C LEU A 25 2.311 -4.154 2.492 1.00 0.00 C ATOM 345 O LEU A 25 3.488 -4.402 2.348 1.00 0.00 O ATOM 346 CB LEU A 25 1.262 -1.990 1.849 1.00 0.00 C ATOM 347 CG LEU A 25 0.182 -1.365 0.977 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.893 -0.767 1.879 1.00 0.00 C ATOM 349 CD2 LEU A 25 0.803 -0.262 0.122 1.00 0.00 C ATOM 0 H LEU A 25 -0.622 -3.472 1.496 1.00 0.00 H new ATOM 0 HA LEU A 25 2.085 -3.476 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.955 -1.966 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.182 -1.411 1.773 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.260 -2.121 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.673 -0.316 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.327 -1.552 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.448 -0.005 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.034 0.189 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.236 0.500 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.583 -0.687 -0.510 1.00 0.00 H new ATOM 361 N SER A 26 1.673 -4.507 3.566 1.00 0.00 N ATOM 362 CA SER A 26 2.394 -5.230 4.640 1.00 0.00 C ATOM 363 C SER A 26 2.866 -6.560 4.076 1.00 0.00 C ATOM 364 O SER A 26 3.783 -7.178 4.579 1.00 0.00 O ATOM 365 CB SER A 26 1.362 -5.444 5.747 1.00 0.00 C ATOM 366 OG SER A 26 1.639 -6.666 6.416 1.00 0.00 O ATOM 0 H SER A 26 0.685 -4.327 3.746 1.00 0.00 H new ATOM 0 HA SER A 26 3.263 -4.692 5.019 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.392 -4.614 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.358 -5.467 5.324 1.00 0.00 H new ATOM 0 HG SER A 26 0.980 -6.806 7.128 1.00 0.00 H new ATOM 372 N LYS A 27 2.233 -7.003 3.021 1.00 0.00 N ATOM 373 CA LYS A 27 2.629 -8.293 2.407 1.00 0.00 C ATOM 374 C LYS A 27 3.330 -8.054 1.069 1.00 0.00 C ATOM 375 O LYS A 27 3.774 -8.978 0.415 1.00 0.00 O ATOM 376 CB LYS A 27 1.322 -9.057 2.201 1.00 0.00 C ATOM 377 CG LYS A 27 1.202 -10.157 3.257 1.00 0.00 C ATOM 378 CD LYS A 27 1.518 -9.582 4.640 1.00 0.00 C ATOM 379 CE LYS A 27 0.271 -9.672 5.522 1.00 0.00 C ATOM 380 NZ LYS A 27 0.735 -10.299 6.791 1.00 0.00 N ATOM 0 H LYS A 27 1.459 -6.523 2.562 1.00 0.00 H new ATOM 0 HA LYS A 27 3.328 -8.847 3.034 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.475 -8.375 2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.297 -9.493 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.195 -10.575 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.888 -10.972 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.341 -10.133 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.840 -8.544 4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.155 -8.685 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.505 -10.272 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.068 -10.393 7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.129 -11.240 6.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.468 -9.702 7.225 1.00 0.00 H new ATOM 394 N VAL A 28 3.436 -6.822 0.657 1.00 0.00 N ATOM 395 CA VAL A 28 4.110 -6.526 -0.636 1.00 0.00 C ATOM 396 C VAL A 28 5.421 -7.317 -0.724 1.00 0.00 C ATOM 397 O VAL A 28 5.656 -8.029 -1.678 1.00 0.00 O ATOM 398 CB VAL A 28 4.351 -5.000 -0.612 1.00 0.00 C ATOM 399 CG1 VAL A 28 5.834 -4.661 -0.823 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.531 -4.345 -1.725 1.00 0.00 C ATOM 0 H VAL A 28 3.085 -6.007 1.160 1.00 0.00 H new ATOM 0 HA VAL A 28 3.522 -6.814 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 28 4.047 -4.624 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.967 -3.579 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.428 -5.116 -0.030 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.162 -5.047 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.697 -3.268 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.839 -4.749 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.472 -4.551 -1.566 1.00 0.00 H new ATOM 410 N GLU A 29 6.259 -7.185 0.278 1.00 0.00 N ATOM 411 CA GLU A 29 7.578 -7.904 0.310 1.00 0.00 C ATOM 412 C GLU A 29 8.568 -7.118 1.166 1.00 0.00 C ATOM 413 O GLU A 29 8.915 -7.507 2.263 1.00 0.00 O ATOM 414 CB GLU A 29 8.097 -7.942 -1.131 1.00 0.00 C ATOM 415 CG GLU A 29 7.858 -9.330 -1.715 1.00 0.00 C ATOM 416 CD GLU A 29 9.165 -9.883 -2.287 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.096 -10.064 -1.521 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.211 -10.119 -3.484 1.00 0.00 O ATOM 0 H GLU A 29 6.082 -6.597 1.093 1.00 0.00 H new ATOM 0 HA GLU A 29 7.465 -8.906 0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.589 -7.189 -1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.160 -7.703 -1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.476 -9.999 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.100 -9.280 -2.497 1.00 0.00 H new ATOM 425 N GLY A 30 9.035 -6.017 0.649 1.00 0.00 N ATOM 426 CA GLY A 30 10.022 -5.189 1.399 1.00 0.00 C ATOM 427 C GLY A 30 9.310 -4.265 2.385 1.00 0.00 C ATOM 428 O GLY A 30 9.921 -3.736 3.293 1.00 0.00 O ATOM 0 H GLY A 30 8.774 -5.652 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.715 -5.837 1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.614 -4.598 0.701 1.00 0.00 H new ATOM 432 N VAL A 31 8.031 -4.065 2.220 1.00 0.00 N ATOM 433 CA VAL A 31 7.286 -3.175 3.156 1.00 0.00 C ATOM 434 C VAL A 31 7.784 -3.372 4.585 1.00 0.00 C ATOM 435 O VAL A 31 7.750 -4.459 5.129 1.00 0.00 O ATOM 436 CB VAL A 31 5.827 -3.603 3.033 1.00 0.00 C ATOM 437 CG1 VAL A 31 5.671 -5.040 3.533 1.00 0.00 C ATOM 438 CG2 VAL A 31 4.953 -2.671 3.876 1.00 0.00 C ATOM 0 H VAL A 31 7.469 -4.480 1.477 1.00 0.00 H new ATOM 0 HA VAL A 31 7.423 -2.120 2.917 1.00 0.00 H new ATOM 0 HB VAL A 31 5.518 -3.548 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.628 -5.345 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.295 -5.703 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.979 -5.097 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.910 -2.974 3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.263 -2.727 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.064 -1.647 3.519 1.00 0.00 H new ATOM 448 N SER A 32 8.236 -2.321 5.197 1.00 0.00 N ATOM 449 CA SER A 32 8.727 -2.422 6.593 1.00 0.00 C ATOM 450 C SER A 32 7.780 -1.647 7.494 1.00 0.00 C ATOM 451 O SER A 32 7.813 -1.761 8.703 1.00 0.00 O ATOM 452 CB SER A 32 10.115 -1.783 6.583 1.00 0.00 C ATOM 453 OG SER A 32 11.023 -2.646 5.911 1.00 0.00 O ATOM 0 H SER A 32 8.287 -1.388 4.787 1.00 0.00 H new ATOM 0 HA SER A 32 8.774 -3.448 6.958 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.079 -0.814 6.084 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.453 -1.604 7.604 1.00 0.00 H new ATOM 0 HG SER A 32 10.635 -2.928 5.057 1.00 0.00 H new ATOM 459 N LYS A 33 6.925 -0.864 6.902 1.00 0.00 N ATOM 460 CA LYS A 33 5.959 -0.083 7.711 1.00 0.00 C ATOM 461 C LYS A 33 4.620 0.005 6.991 1.00 0.00 C ATOM 462 O LYS A 33 4.540 -0.111 5.784 1.00 0.00 O ATOM 463 CB LYS A 33 6.573 1.298 7.855 1.00 0.00 C ATOM 464 CG LYS A 33 6.305 1.799 9.261 1.00 0.00 C ATOM 465 CD LYS A 33 7.302 2.903 9.615 1.00 0.00 C ATOM 466 CE LYS A 33 6.575 4.031 10.352 1.00 0.00 C ATOM 467 NZ LYS A 33 7.247 5.283 9.903 1.00 0.00 N ATOM 0 H LYS A 33 6.855 -0.733 5.893 1.00 0.00 H new ATOM 0 HA LYS A 33 5.773 -0.545 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.646 1.257 7.665 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.145 1.981 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.286 2.179 9.334 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.390 0.977 9.972 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.099 2.501 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.770 3.289 8.709 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.513 4.043 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.650 3.909 11.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.803 6.101 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.255 5.246 10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.153 5.377 8.871 1.00 0.00 H new ATOM 481 N VAL A 34 3.567 0.208 7.727 1.00 0.00 N ATOM 482 CA VAL A 34 2.221 0.297 7.096 1.00 0.00 C ATOM 483 C VAL A 34 1.294 1.193 7.922 1.00 0.00 C ATOM 484 O VAL A 34 1.148 1.030 9.118 1.00 0.00 O ATOM 485 CB VAL A 34 1.696 -1.140 7.075 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.507 -1.236 6.118 1.00 0.00 C ATOM 487 CG2 VAL A 34 2.805 -2.084 6.601 1.00 0.00 C ATOM 0 H VAL A 34 3.579 0.317 8.741 1.00 0.00 H new ATOM 0 HA VAL A 34 2.268 0.732 6.098 1.00 0.00 H new ATOM 0 HB VAL A 34 1.380 -1.423 8.079 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.133 -2.260 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.285 -0.566 6.453 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.824 -0.951 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.430 -3.107 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.121 -1.799 5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.654 -2.018 7.281 1.00 0.00 H new ATOM 497 N ASP A 35 0.661 2.129 7.278 1.00 0.00 N ATOM 498 CA ASP A 35 -0.276 3.048 7.983 1.00 0.00 C ATOM 499 C ASP A 35 -1.290 3.574 6.967 1.00 0.00 C ATOM 500 O ASP A 35 -1.073 4.580 6.323 1.00 0.00 O ATOM 501 CB ASP A 35 0.602 4.182 8.518 1.00 0.00 C ATOM 502 CG ASP A 35 1.448 3.668 9.685 1.00 0.00 C ATOM 503 OD1 ASP A 35 0.907 2.956 10.515 1.00 0.00 O ATOM 504 OD2 ASP A 35 2.623 3.995 9.729 1.00 0.00 O ATOM 0 H ASP A 35 0.753 2.300 6.277 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.829 2.568 8.791 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.248 4.560 7.726 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.021 5.014 8.846 1.00 0.00 H new ATOM 509 N VAL A 36 -2.381 2.880 6.790 1.00 0.00 N ATOM 510 CA VAL A 36 -3.384 3.325 5.780 1.00 0.00 C ATOM 511 C VAL A 36 -4.656 3.857 6.439 1.00 0.00 C ATOM 512 O VAL A 36 -4.679 4.225 7.596 1.00 0.00 O ATOM 513 CB VAL A 36 -3.710 2.067 4.965 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.424 1.289 4.670 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.676 1.175 5.751 1.00 0.00 C ATOM 0 H VAL A 36 -2.621 2.029 7.298 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.991 4.139 5.170 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.175 2.365 4.025 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.663 0.397 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.740 1.919 4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.952 0.997 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.904 0.283 5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.216 0.883 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.597 1.723 5.951 1.00 0.00 H new ATOM 525 N GLY A 37 -5.717 3.878 5.685 1.00 0.00 N ATOM 526 CA GLY A 37 -7.021 4.361 6.210 1.00 0.00 C ATOM 527 C GLY A 37 -8.139 3.620 5.477 1.00 0.00 C ATOM 528 O GLY A 37 -8.309 3.767 4.280 1.00 0.00 O ATOM 0 H GLY A 37 -5.735 3.576 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.088 4.183 7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.116 5.436 6.059 1.00 0.00 H new ATOM 532 N PHE A 38 -8.881 2.807 6.182 1.00 0.00 N ATOM 533 CA PHE A 38 -9.977 2.027 5.540 1.00 0.00 C ATOM 534 C PHE A 38 -10.895 2.925 4.684 1.00 0.00 C ATOM 535 O PHE A 38 -10.505 3.397 3.635 1.00 0.00 O ATOM 536 CB PHE A 38 -10.748 1.389 6.703 1.00 0.00 C ATOM 537 CG PHE A 38 -11.028 2.401 7.800 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.891 3.779 7.567 1.00 0.00 C ATOM 539 CD2 PHE A 38 -11.438 1.947 9.059 1.00 0.00 C ATOM 540 CE1 PHE A 38 -11.159 4.693 8.594 1.00 0.00 C ATOM 541 CE2 PHE A 38 -11.706 2.862 10.084 1.00 0.00 C ATOM 542 CZ PHE A 38 -11.568 4.235 9.851 1.00 0.00 C ATOM 0 H PHE A 38 -8.773 2.650 7.184 1.00 0.00 H new ATOM 0 HA PHE A 38 -9.584 1.279 4.852 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.688 0.977 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -10.173 0.557 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.579 4.134 6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.548 0.888 9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.050 5.752 8.415 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.019 2.508 11.055 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.777 4.941 10.641 1.00 0.00 H new ATOM 552 N GLU A 39 -12.114 3.144 5.120 1.00 0.00 N ATOM 553 CA GLU A 39 -13.071 3.989 4.339 1.00 0.00 C ATOM 554 C GLU A 39 -12.344 5.118 3.599 1.00 0.00 C ATOM 555 O GLU A 39 -12.730 5.507 2.515 1.00 0.00 O ATOM 556 CB GLU A 39 -14.027 4.563 5.384 1.00 0.00 C ATOM 557 CG GLU A 39 -14.841 5.698 4.763 1.00 0.00 C ATOM 558 CD GLU A 39 -16.331 5.384 4.894 1.00 0.00 C ATOM 559 OE1 GLU A 39 -16.865 5.581 5.974 1.00 0.00 O ATOM 560 OE2 GLU A 39 -16.913 4.950 3.914 1.00 0.00 O ATOM 0 H GLU A 39 -12.489 2.769 5.992 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.588 3.410 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -14.693 3.782 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.465 4.932 6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.611 6.640 5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.574 5.819 3.713 1.00 0.00 H new ATOM 567 N LYS A 40 -11.293 5.639 4.168 1.00 0.00 N ATOM 568 CA LYS A 40 -10.544 6.732 3.485 1.00 0.00 C ATOM 569 C LYS A 40 -9.457 6.127 2.594 1.00 0.00 C ATOM 570 O LYS A 40 -8.302 6.494 2.676 1.00 0.00 O ATOM 571 CB LYS A 40 -9.930 7.564 4.613 1.00 0.00 C ATOM 572 CG LYS A 40 -8.953 6.705 5.416 1.00 0.00 C ATOM 573 CD LYS A 40 -8.093 7.605 6.305 1.00 0.00 C ATOM 574 CE LYS A 40 -7.103 8.385 5.438 1.00 0.00 C ATOM 575 NZ LYS A 40 -6.559 9.442 6.334 1.00 0.00 N ATOM 0 H LYS A 40 -10.920 5.356 5.074 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.180 7.343 2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.412 8.429 4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.716 7.945 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.501 5.988 6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.319 6.130 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.726 8.295 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.555 7.003 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.310 7.737 5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.596 8.820 4.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.871 10.020 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.336 10.047 6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.089 8.998 7.149 1.00 0.00 H new ATOM 589 N ARG A 41 -9.846 5.191 1.759 1.00 0.00 N ATOM 590 CA ARG A 41 -8.892 4.494 0.828 1.00 0.00 C ATOM 591 C ARG A 41 -7.543 5.205 0.731 1.00 0.00 C ATOM 592 O ARG A 41 -7.282 5.943 -0.197 1.00 0.00 O ATOM 593 CB ARG A 41 -9.587 4.513 -0.531 1.00 0.00 C ATOM 594 CG ARG A 41 -9.705 5.958 -1.027 1.00 0.00 C ATOM 595 CD ARG A 41 -8.843 6.149 -2.282 1.00 0.00 C ATOM 596 NE ARG A 41 -9.682 6.972 -3.199 1.00 0.00 N ATOM 597 CZ ARG A 41 -9.150 7.521 -4.258 1.00 0.00 C ATOM 598 NH1 ARG A 41 -7.878 7.366 -4.512 1.00 0.00 N ATOM 599 NH2 ARG A 41 -9.892 8.229 -5.066 1.00 0.00 N ATOM 0 H ARG A 41 -10.811 4.871 1.681 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.671 3.488 1.186 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.023 3.917 -1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.577 4.063 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.746 6.191 -1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.384 6.648 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.906 6.652 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.585 5.191 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.673 7.107 -2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.296 6.814 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.467 7.797 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.885 8.353 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.478 8.659 -5.894 1.00 0.00 H new ATOM 613 N GLU A 42 -6.678 4.981 1.675 1.00 0.00 N ATOM 614 CA GLU A 42 -5.342 5.641 1.618 1.00 0.00 C ATOM 615 C GLU A 42 -4.300 4.785 2.340 1.00 0.00 C ATOM 616 O GLU A 42 -4.353 4.614 3.541 1.00 0.00 O ATOM 617 CB GLU A 42 -5.528 6.978 2.338 1.00 0.00 C ATOM 618 CG GLU A 42 -5.977 8.044 1.337 1.00 0.00 C ATOM 619 CD GLU A 42 -5.639 9.432 1.885 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.162 9.504 3.006 1.00 0.00 O ATOM 621 OE2 GLU A 42 -5.861 10.398 1.175 1.00 0.00 O ATOM 0 H GLU A 42 -6.833 4.374 2.480 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.991 5.775 0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.269 6.875 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.594 7.280 2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.482 7.889 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.049 7.963 1.159 1.00 0.00 H new ATOM 628 N ALA A 43 -3.356 4.236 1.626 1.00 0.00 N ATOM 629 CA ALA A 43 -2.333 3.386 2.297 1.00 0.00 C ATOM 630 C ALA A 43 -0.959 4.060 2.279 1.00 0.00 C ATOM 631 O ALA A 43 -0.362 4.251 1.247 1.00 0.00 O ATOM 632 CB ALA A 43 -2.305 2.092 1.486 1.00 0.00 C ATOM 0 H ALA A 43 -3.249 4.338 0.617 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.575 3.213 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.573 1.408 1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.291 1.628 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.031 2.315 0.455 1.00 0.00 H new ATOM 638 N VAL A 44 -0.435 4.395 3.418 1.00 0.00 N ATOM 639 CA VAL A 44 0.908 5.034 3.452 1.00 0.00 C ATOM 640 C VAL A 44 1.905 4.021 3.991 1.00 0.00 C ATOM 641 O VAL A 44 1.793 3.569 5.110 1.00 0.00 O ATOM 642 CB VAL A 44 0.754 6.216 4.406 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.128 6.651 4.922 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.092 7.380 3.670 1.00 0.00 C ATOM 0 H VAL A 44 -0.875 4.256 4.327 1.00 0.00 H new ATOM 0 HA VAL A 44 1.263 5.363 2.475 1.00 0.00 H new ATOM 0 HB VAL A 44 0.133 5.918 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.011 7.495 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.598 5.821 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.755 6.947 4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.019 8.225 4.350 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.712 7.675 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.890 7.072 3.311 1.00 0.00 H new ATOM 654 N VAL A 45 2.859 3.623 3.200 1.00 0.00 N ATOM 655 CA VAL A 45 3.812 2.593 3.706 1.00 0.00 C ATOM 656 C VAL A 45 5.273 2.945 3.452 1.00 0.00 C ATOM 657 O VAL A 45 5.613 3.738 2.598 1.00 0.00 O ATOM 658 CB VAL A 45 3.479 1.316 2.932 1.00 0.00 C ATOM 659 CG1 VAL A 45 2.147 0.738 3.412 1.00 0.00 C ATOM 660 CG2 VAL A 45 3.397 1.629 1.437 1.00 0.00 C ATOM 0 H VAL A 45 3.021 3.954 2.249 1.00 0.00 H new ATOM 0 HA VAL A 45 3.703 2.500 4.787 1.00 0.00 H new ATOM 0 HB VAL A 45 4.265 0.581 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.922 -0.170 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.214 0.503 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.354 1.469 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.160 0.718 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.618 2.371 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.355 2.021 1.094 1.00 0.00 H new ATOM 670 N THR A 46 6.130 2.280 4.168 1.00 0.00 N ATOM 671 CA THR A 46 7.592 2.452 3.989 1.00 0.00 C ATOM 672 C THR A 46 8.123 1.090 3.580 1.00 0.00 C ATOM 673 O THR A 46 7.451 0.096 3.766 1.00 0.00 O ATOM 674 CB THR A 46 8.140 2.850 5.360 1.00 0.00 C ATOM 675 OG1 THR A 46 7.953 4.243 5.561 1.00 0.00 O ATOM 676 CG2 THR A 46 9.633 2.513 5.430 1.00 0.00 C ATOM 0 H THR A 46 5.870 1.607 4.889 1.00 0.00 H new ATOM 0 HA THR A 46 7.868 3.200 3.246 1.00 0.00 H new ATOM 0 HB THR A 46 7.609 2.301 6.138 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.304 4.497 6.440 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.025 2.796 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.772 1.442 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.166 3.060 4.653 1.00 0.00 H new ATOM 684 N PHE A 47 9.292 1.006 3.027 1.00 0.00 N ATOM 685 CA PHE A 47 9.779 -0.337 2.632 1.00 0.00 C ATOM 686 C PHE A 47 11.223 -0.301 2.179 1.00 0.00 C ATOM 687 O PHE A 47 11.880 0.718 2.208 1.00 0.00 O ATOM 688 CB PHE A 47 8.877 -0.750 1.471 1.00 0.00 C ATOM 689 CG PHE A 47 9.071 0.206 0.317 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.153 0.041 -0.563 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.165 1.257 0.122 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.324 0.925 -1.630 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.337 2.138 -0.951 1.00 0.00 C ATOM 694 CZ PHE A 47 9.416 1.972 -1.825 1.00 0.00 C ATOM 0 H PHE A 47 9.919 1.787 2.834 1.00 0.00 H new ATOM 0 HA PHE A 47 9.742 -1.034 3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.112 -1.767 1.158 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.834 -0.747 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.852 -0.769 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.334 1.387 0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.158 0.801 -2.305 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.637 2.946 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.549 2.653 -2.652 1.00 0.00 H new ATOM 704 N ASP A 48 11.700 -1.418 1.724 1.00 0.00 N ATOM 705 CA ASP A 48 13.088 -1.488 1.225 1.00 0.00 C ATOM 706 C ASP A 48 13.028 -1.573 -0.292 1.00 0.00 C ATOM 707 O ASP A 48 12.466 -2.493 -0.853 1.00 0.00 O ATOM 708 CB ASP A 48 13.677 -2.763 1.828 1.00 0.00 C ATOM 709 CG ASP A 48 14.373 -2.428 3.149 1.00 0.00 C ATOM 710 OD1 ASP A 48 14.135 -1.347 3.662 1.00 0.00 O ATOM 711 OD2 ASP A 48 15.132 -3.256 3.623 1.00 0.00 O ATOM 0 H ASP A 48 11.180 -2.294 1.677 1.00 0.00 H new ATOM 0 HA ASP A 48 13.696 -0.625 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.888 -3.497 1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.387 -3.212 1.134 1.00 0.00 H new ATOM 716 N ASP A 49 13.559 -0.594 -0.962 1.00 0.00 N ATOM 717 CA ASP A 49 13.481 -0.596 -2.449 1.00 0.00 C ATOM 718 C ASP A 49 14.329 -1.724 -3.052 1.00 0.00 C ATOM 719 O ASP A 49 14.364 -1.908 -4.253 1.00 0.00 O ATOM 720 CB ASP A 49 14.005 0.777 -2.878 1.00 0.00 C ATOM 721 CG ASP A 49 15.535 0.785 -2.836 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.094 -0.076 -2.178 1.00 0.00 O ATOM 723 OD2 ASP A 49 16.120 1.652 -3.464 1.00 0.00 O ATOM 0 H ASP A 49 14.042 0.204 -0.550 1.00 0.00 H new ATOM 0 HA ASP A 49 12.464 -0.771 -2.799 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.659 1.010 -3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.610 1.549 -2.218 1.00 0.00 H new ATOM 728 N THR A 50 15.014 -2.478 -2.236 1.00 0.00 N ATOM 729 CA THR A 50 15.854 -3.587 -2.780 1.00 0.00 C ATOM 730 C THR A 50 14.984 -4.801 -3.132 1.00 0.00 C ATOM 731 O THR A 50 15.344 -5.610 -3.964 1.00 0.00 O ATOM 732 CB THR A 50 16.835 -3.944 -1.659 1.00 0.00 C ATOM 733 OG1 THR A 50 16.215 -3.736 -0.397 1.00 0.00 O ATOM 734 CG2 THR A 50 18.082 -3.066 -1.769 1.00 0.00 C ATOM 0 H THR A 50 15.030 -2.376 -1.221 1.00 0.00 H new ATOM 0 HA THR A 50 16.369 -3.290 -3.693 1.00 0.00 H new ATOM 0 HB THR A 50 17.122 -4.992 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 50 16.844 -3.967 0.318 1.00 0.00 H new ATOM 0 HG21 THR A 50 18.779 -3.322 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 50 18.560 -3.232 -2.734 1.00 0.00 H new ATOM 0 HG23 THR A 50 17.798 -2.017 -1.681 1.00 0.00 H new ATOM 742 N LYS A 51 13.845 -4.938 -2.508 1.00 0.00 N ATOM 743 CA LYS A 51 12.967 -6.106 -2.817 1.00 0.00 C ATOM 744 C LYS A 51 11.562 -5.633 -3.200 1.00 0.00 C ATOM 745 O LYS A 51 10.705 -6.419 -3.551 1.00 0.00 O ATOM 746 CB LYS A 51 12.927 -6.928 -1.527 1.00 0.00 C ATOM 747 CG LYS A 51 14.234 -7.712 -1.378 1.00 0.00 C ATOM 748 CD LYS A 51 14.860 -7.415 -0.013 1.00 0.00 C ATOM 749 CE LYS A 51 14.078 -8.146 1.082 1.00 0.00 C ATOM 750 NZ LYS A 51 15.029 -8.257 2.224 1.00 0.00 N ATOM 0 H LYS A 51 13.485 -4.296 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 51 13.341 -6.689 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.785 -6.271 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.080 -7.614 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.042 -8.780 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.927 -7.438 -2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.903 -7.733 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.852 -6.342 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.183 -7.592 1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 13.750 -9.129 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.566 -8.748 3.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.868 -8.795 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.318 -7.306 2.529 1.00 0.00 H new ATOM 764 N ALA A 52 11.323 -4.353 -3.138 1.00 0.00 N ATOM 765 CA ALA A 52 9.976 -3.824 -3.501 1.00 0.00 C ATOM 766 C ALA A 52 10.088 -2.356 -3.915 1.00 0.00 C ATOM 767 O ALA A 52 11.169 -1.842 -4.120 1.00 0.00 O ATOM 768 CB ALA A 52 9.139 -3.962 -2.231 1.00 0.00 C ATOM 0 H ALA A 52 12.002 -3.648 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 52 9.530 -4.360 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.131 -3.592 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.093 -5.011 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.596 -3.381 -1.429 1.00 0.00 H new ATOM 774 N SER A 53 8.983 -1.676 -4.041 1.00 0.00 N ATOM 775 CA SER A 53 9.044 -0.244 -4.442 1.00 0.00 C ATOM 776 C SER A 53 7.639 0.343 -4.533 1.00 0.00 C ATOM 777 O SER A 53 6.660 -0.370 -4.572 1.00 0.00 O ATOM 778 CB SER A 53 9.713 -0.247 -5.816 1.00 0.00 C ATOM 779 OG SER A 53 9.263 -1.372 -6.558 1.00 0.00 O ATOM 0 H SER A 53 8.046 -2.047 -3.885 1.00 0.00 H new ATOM 0 HA SER A 53 9.592 0.362 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.476 0.673 -6.350 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.797 -0.281 -5.705 1.00 0.00 H new ATOM 0 HG SER A 53 9.690 -1.374 -7.440 1.00 0.00 H new ATOM 785 N VAL A 54 7.535 1.640 -4.571 1.00 0.00 N ATOM 786 CA VAL A 54 6.200 2.279 -4.670 1.00 0.00 C ATOM 787 C VAL A 54 5.352 1.525 -5.694 1.00 0.00 C ATOM 788 O VAL A 54 4.153 1.394 -5.550 1.00 0.00 O ATOM 789 CB VAL A 54 6.485 3.706 -5.140 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.611 4.321 -4.302 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.900 3.688 -6.613 1.00 0.00 C ATOM 0 H VAL A 54 8.323 2.287 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 54 5.651 2.270 -3.729 1.00 0.00 H new ATOM 0 HB VAL A 54 5.582 4.305 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.806 5.337 -4.645 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.314 4.342 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.515 3.721 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.103 4.706 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.798 3.082 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.095 3.263 -7.213 1.00 0.00 H new ATOM 801 N GLN A 55 5.975 1.010 -6.717 1.00 0.00 N ATOM 802 CA GLN A 55 5.219 0.241 -7.743 1.00 0.00 C ATOM 803 C GLN A 55 4.665 -1.033 -7.107 1.00 0.00 C ATOM 804 O GLN A 55 3.506 -1.368 -7.258 1.00 0.00 O ATOM 805 CB GLN A 55 6.256 -0.101 -8.815 1.00 0.00 C ATOM 806 CG GLN A 55 5.594 -0.103 -10.194 1.00 0.00 C ATOM 807 CD GLN A 55 6.623 0.297 -11.253 1.00 0.00 C ATOM 808 OE1 GLN A 55 6.366 1.156 -12.073 1.00 0.00 O ATOM 809 NE2 GLN A 55 7.786 -0.294 -11.271 1.00 0.00 N ATOM 0 H GLN A 55 6.978 1.089 -6.887 1.00 0.00 H new ATOM 0 HA GLN A 55 4.376 0.795 -8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.069 0.625 -8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.695 -1.077 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.194 -1.092 -10.416 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.754 0.591 -10.207 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.002 -1.015 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.479 -0.035 -11.973 1.00 0.00 H new ATOM 818 N LYS A 56 5.496 -1.744 -6.395 1.00 0.00 N ATOM 819 CA LYS A 56 5.044 -3.002 -5.736 1.00 0.00 C ATOM 820 C LYS A 56 4.003 -2.703 -4.649 1.00 0.00 C ATOM 821 O LYS A 56 3.198 -3.548 -4.311 1.00 0.00 O ATOM 822 CB LYS A 56 6.311 -3.598 -5.120 1.00 0.00 C ATOM 823 CG LYS A 56 6.334 -5.111 -5.347 1.00 0.00 C ATOM 824 CD LYS A 56 7.552 -5.483 -6.197 1.00 0.00 C ATOM 825 CE LYS A 56 7.140 -6.502 -7.260 1.00 0.00 C ATOM 826 NZ LYS A 56 8.379 -6.766 -8.042 1.00 0.00 N ATOM 0 H LYS A 56 6.476 -1.505 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 56 4.567 -3.685 -6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.194 -3.140 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.345 -3.380 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.372 -5.632 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.419 -5.428 -5.846 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.963 -4.592 -6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.337 -5.898 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.759 -7.416 -6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.347 -6.109 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.176 -7.457 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.715 -5.880 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.113 -7.146 -7.411 1.00 0.00 H new ATOM 840 N LEU A 57 3.994 -1.511 -4.104 1.00 0.00 N ATOM 841 CA LEU A 57 2.979 -1.198 -3.058 1.00 0.00 C ATOM 842 C LEU A 57 1.613 -1.072 -3.734 1.00 0.00 C ATOM 843 O LEU A 57 0.670 -1.769 -3.405 1.00 0.00 O ATOM 844 CB LEU A 57 3.407 0.141 -2.454 1.00 0.00 C ATOM 845 CG LEU A 57 4.874 0.088 -2.012 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.310 1.489 -1.588 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.030 -0.867 -0.825 1.00 0.00 C ATOM 0 H LEU A 57 4.636 -0.753 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 57 2.910 -1.967 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.271 0.937 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.773 0.381 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 57 5.490 -0.267 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.353 1.465 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.202 2.174 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.687 1.829 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.075 -0.898 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.418 -0.517 0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.708 -1.866 -1.117 1.00 0.00 H new ATOM 859 N THR A 58 1.518 -0.208 -4.707 1.00 0.00 N ATOM 860 CA THR A 58 0.239 -0.052 -5.444 1.00 0.00 C ATOM 861 C THR A 58 -0.059 -1.361 -6.162 1.00 0.00 C ATOM 862 O THR A 58 -1.181 -1.644 -6.527 1.00 0.00 O ATOM 863 CB THR A 58 0.489 1.064 -6.455 1.00 0.00 C ATOM 864 OG1 THR A 58 1.392 2.010 -5.901 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.834 1.752 -6.798 1.00 0.00 C ATOM 0 H THR A 58 2.276 0.398 -5.022 1.00 0.00 H new ATOM 0 HA THR A 58 -0.605 0.186 -4.796 1.00 0.00 H new ATOM 0 HB THR A 58 0.920 0.642 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.187 2.076 -6.471 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.653 2.548 -7.520 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.523 1.024 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.270 2.175 -5.893 1.00 0.00 H new ATOM 873 N LYS A 59 0.950 -2.169 -6.354 1.00 0.00 N ATOM 874 CA LYS A 59 0.740 -3.472 -7.027 1.00 0.00 C ATOM 875 C LYS A 59 0.196 -4.467 -6.007 1.00 0.00 C ATOM 876 O LYS A 59 -0.510 -5.396 -6.344 1.00 0.00 O ATOM 877 CB LYS A 59 2.121 -3.903 -7.522 1.00 0.00 C ATOM 878 CG LYS A 59 1.985 -5.187 -8.340 1.00 0.00 C ATOM 879 CD LYS A 59 2.970 -5.156 -9.510 1.00 0.00 C ATOM 880 CE LYS A 59 2.473 -4.170 -10.570 1.00 0.00 C ATOM 881 NZ LYS A 59 2.671 -4.869 -11.869 1.00 0.00 N ATOM 0 H LYS A 59 1.911 -1.977 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 59 0.030 -3.416 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.564 -3.115 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.789 -4.066 -6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.181 -6.054 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.965 -5.287 -8.712 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.959 -4.861 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.069 -6.152 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.424 -3.918 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.034 -3.236 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.353 -4.255 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.679 -5.091 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.119 -5.751 -11.876 1.00 0.00 H new ATOM 895 N ALA A 60 0.512 -4.271 -4.752 1.00 0.00 N ATOM 896 CA ALA A 60 -0.003 -5.200 -3.709 1.00 0.00 C ATOM 897 C ALA A 60 -1.507 -4.999 -3.554 1.00 0.00 C ATOM 898 O ALA A 60 -2.264 -5.946 -3.488 1.00 0.00 O ATOM 899 CB ALA A 60 0.737 -4.825 -2.425 1.00 0.00 C ATOM 0 H ALA A 60 1.101 -3.512 -4.409 1.00 0.00 H new ATOM 0 HA ALA A 60 0.160 -6.248 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.406 -5.471 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.810 -4.950 -2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.524 -3.786 -2.172 1.00 0.00 H new ATOM 905 N THR A 61 -1.955 -3.774 -3.535 1.00 0.00 N ATOM 906 CA THR A 61 -3.421 -3.540 -3.432 1.00 0.00 C ATOM 907 C THR A 61 -4.022 -3.839 -4.794 1.00 0.00 C ATOM 908 O THR A 61 -5.089 -4.414 -4.917 1.00 0.00 O ATOM 909 CB THR A 61 -3.573 -2.066 -3.081 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.931 -1.794 -2.764 1.00 0.00 O ATOM 911 CG2 THR A 61 -3.138 -1.206 -4.268 1.00 0.00 C ATOM 0 H THR A 61 -1.377 -2.935 -3.586 1.00 0.00 H new ATOM 0 HA THR A 61 -3.917 -4.162 -2.687 1.00 0.00 H new ATOM 0 HB THR A 61 -2.946 -1.831 -2.221 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.282 -1.119 -3.382 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.248 -0.152 -4.013 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.095 -1.415 -4.506 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.760 -1.437 -5.132 1.00 0.00 H new ATOM 919 N ALA A 62 -3.309 -3.484 -5.825 1.00 0.00 N ATOM 920 CA ALA A 62 -3.796 -3.777 -7.191 1.00 0.00 C ATOM 921 C ALA A 62 -3.946 -5.287 -7.317 1.00 0.00 C ATOM 922 O ALA A 62 -4.750 -5.786 -8.079 1.00 0.00 O ATOM 923 CB ALA A 62 -2.709 -3.259 -8.132 1.00 0.00 C ATOM 0 H ALA A 62 -2.410 -3.004 -5.776 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.756 -3.314 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.004 -3.443 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.575 -2.188 -7.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.772 -3.775 -7.925 1.00 0.00 H new ATOM 929 N ASP A 63 -3.182 -6.019 -6.547 1.00 0.00 N ATOM 930 CA ASP A 63 -3.289 -7.497 -6.593 1.00 0.00 C ATOM 931 C ASP A 63 -4.341 -7.947 -5.583 1.00 0.00 C ATOM 932 O ASP A 63 -4.916 -9.011 -5.699 1.00 0.00 O ATOM 933 CB ASP A 63 -1.903 -8.020 -6.213 1.00 0.00 C ATOM 934 CG ASP A 63 -2.005 -9.491 -5.802 1.00 0.00 C ATOM 935 OD1 ASP A 63 -2.898 -10.162 -6.294 1.00 0.00 O ATOM 936 OD2 ASP A 63 -1.190 -9.921 -5.004 1.00 0.00 O ATOM 0 H ASP A 63 -2.492 -5.652 -5.892 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.590 -7.871 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.219 -7.914 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.493 -7.430 -5.393 1.00 0.00 H new ATOM 941 N ALA A 64 -4.623 -7.125 -4.605 1.00 0.00 N ATOM 942 CA ALA A 64 -5.663 -7.494 -3.614 1.00 0.00 C ATOM 943 C ALA A 64 -7.024 -7.378 -4.285 1.00 0.00 C ATOM 944 O ALA A 64 -8.019 -7.884 -3.803 1.00 0.00 O ATOM 945 CB ALA A 64 -5.526 -6.473 -2.484 1.00 0.00 C ATOM 0 H ALA A 64 -4.178 -6.220 -4.455 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.557 -8.511 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.266 -6.684 -1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.526 -6.537 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.689 -5.470 -2.878 1.00 0.00 H new ATOM 951 N GLY A 65 -7.070 -6.707 -5.403 1.00 0.00 N ATOM 952 CA GLY A 65 -8.358 -6.546 -6.117 1.00 0.00 C ATOM 953 C GLY A 65 -8.821 -5.107 -5.976 1.00 0.00 C ATOM 954 O GLY A 65 -10.001 -4.824 -5.948 1.00 0.00 O ATOM 0 H GLY A 65 -6.267 -6.264 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.240 -6.803 -7.170 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.105 -7.225 -5.705 1.00 0.00 H new ATOM 958 N TYR A 66 -7.896 -4.193 -5.881 1.00 0.00 N ATOM 959 CA TYR A 66 -8.285 -2.770 -5.726 1.00 0.00 C ATOM 960 C TYR A 66 -7.397 -1.871 -6.592 1.00 0.00 C ATOM 961 O TYR A 66 -6.271 -1.592 -6.232 1.00 0.00 O ATOM 962 CB TYR A 66 -8.058 -2.472 -4.246 1.00 0.00 C ATOM 963 CG TYR A 66 -8.849 -3.448 -3.400 1.00 0.00 C ATOM 964 CD1 TYR A 66 -10.199 -3.689 -3.690 1.00 0.00 C ATOM 965 CD2 TYR A 66 -8.230 -4.120 -2.332 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.929 -4.600 -2.916 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.964 -5.026 -1.559 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.313 -5.267 -1.850 1.00 0.00 C ATOM 969 OH TYR A 66 -11.035 -6.165 -1.089 1.00 0.00 O ATOM 0 H TYR A 66 -6.892 -4.372 -5.904 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.313 -2.586 -6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.997 -2.548 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.363 -1.450 -4.020 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.676 -3.173 -4.510 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.189 -3.937 -2.108 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.968 -4.788 -3.142 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.490 -5.541 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.435 -6.860 -0.746 1.00 0.00 H new ATOM 979 N PRO A 67 -7.932 -1.431 -7.705 1.00 0.00 N ATOM 980 CA PRO A 67 -7.168 -0.543 -8.607 1.00 0.00 C ATOM 981 C PRO A 67 -6.767 0.724 -7.852 1.00 0.00 C ATOM 982 O PRO A 67 -7.556 1.631 -7.680 1.00 0.00 O ATOM 983 CB PRO A 67 -8.180 -0.234 -9.715 1.00 0.00 C ATOM 984 CG PRO A 67 -9.492 -0.980 -9.408 1.00 0.00 C ATOM 985 CD PRO A 67 -9.310 -1.788 -8.116 1.00 0.00 C ATOM 0 HA PRO A 67 -6.245 -0.977 -8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.360 0.839 -9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.787 -0.544 -10.683 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.312 -0.271 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.752 -1.642 -10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.044 -1.512 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -9.417 -2.859 -8.289 1.00 0.00 H new ATOM 993 N SER A 68 -5.556 0.782 -7.374 1.00 0.00 N ATOM 994 CA SER A 68 -5.125 1.984 -6.599 1.00 0.00 C ATOM 995 C SER A 68 -4.140 2.847 -7.397 1.00 0.00 C ATOM 996 O SER A 68 -3.976 2.692 -8.591 1.00 0.00 O ATOM 997 CB SER A 68 -4.441 1.416 -5.356 1.00 0.00 C ATOM 998 OG SER A 68 -3.097 1.079 -5.674 1.00 0.00 O ATOM 0 H SER A 68 -4.848 0.056 -7.484 1.00 0.00 H new ATOM 0 HA SER A 68 -5.970 2.631 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.464 2.147 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.976 0.534 -5.003 1.00 0.00 H new ATOM 0 HG SER A 68 -3.088 0.330 -6.306 1.00 0.00 H new ATOM 1004 N SER A 69 -3.492 3.762 -6.727 1.00 0.00 N ATOM 1005 CA SER A 69 -2.513 4.664 -7.398 1.00 0.00 C ATOM 1006 C SER A 69 -1.653 5.316 -6.316 1.00 0.00 C ATOM 1007 O SER A 69 -2.162 5.881 -5.373 1.00 0.00 O ATOM 1008 CB SER A 69 -3.358 5.706 -8.128 1.00 0.00 C ATOM 1009 OG SER A 69 -2.501 6.610 -8.812 1.00 0.00 O ATOM 0 H SER A 69 -3.602 3.925 -5.726 1.00 0.00 H new ATOM 0 HA SER A 69 -1.851 4.149 -8.094 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.028 5.217 -8.835 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.983 6.247 -7.417 1.00 0.00 H new ATOM 0 HG SER A 69 -3.040 7.279 -9.283 1.00 0.00 H new ATOM 1015 N VAL A 70 -0.362 5.226 -6.421 1.00 0.00 N ATOM 1016 CA VAL A 70 0.500 5.811 -5.366 1.00 0.00 C ATOM 1017 C VAL A 70 0.878 7.241 -5.705 1.00 0.00 C ATOM 1018 O VAL A 70 0.775 7.671 -6.836 1.00 0.00 O ATOM 1019 CB VAL A 70 1.727 4.905 -5.343 1.00 0.00 C ATOM 1020 CG1 VAL A 70 2.342 4.839 -6.743 1.00 0.00 C ATOM 1021 CG2 VAL A 70 2.762 5.457 -4.360 1.00 0.00 C ATOM 0 H VAL A 70 0.133 4.774 -7.190 1.00 0.00 H new ATOM 0 HA VAL A 70 0.003 5.860 -4.397 1.00 0.00 H new ATOM 0 HB VAL A 70 1.427 3.906 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.219 4.191 -6.725 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.609 4.439 -7.444 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.637 5.840 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.636 4.806 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.060 6.459 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.328 5.500 -3.361 1.00 0.00 H new ATOM 1031 N LYS A 71 1.313 7.988 -4.732 1.00 0.00 N ATOM 1032 CA LYS A 71 1.690 9.392 -5.027 1.00 0.00 C ATOM 1033 C LYS A 71 2.864 9.827 -4.153 1.00 0.00 C ATOM 1034 O LYS A 71 2.895 10.925 -3.634 1.00 0.00 O ATOM 1035 CB LYS A 71 0.446 10.218 -4.707 1.00 0.00 C ATOM 1036 CG LYS A 71 0.091 10.045 -3.230 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.395 10.339 -3.024 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.556 11.516 -2.058 1.00 0.00 C ATOM 1039 NZ LYS A 71 -3.012 11.561 -1.745 1.00 0.00 N ATOM 0 H LYS A 71 1.422 7.693 -3.762 1.00 0.00 H new ATOM 0 HA LYS A 71 2.006 9.519 -6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.627 11.270 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.387 9.899 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.320 9.029 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.694 10.717 -2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.866 10.572 -3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.899 9.458 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.963 11.370 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.221 12.448 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.202 12.344 -1.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.551 11.708 -2.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.301 10.663 -1.307 1.00 0.00 H new ATOM 1053 N GLN A 72 3.825 8.970 -3.997 1.00 0.00 N ATOM 1054 CA GLN A 72 5.015 9.313 -3.162 1.00 0.00 C ATOM 1055 C GLN A 72 4.587 10.091 -1.913 1.00 0.00 C ATOM 1056 O GLN A 72 4.250 9.455 -0.928 1.00 0.00 O ATOM 1057 CB GLN A 72 5.892 10.185 -4.061 1.00 0.00 C ATOM 1058 CG GLN A 72 6.653 9.299 -5.048 1.00 0.00 C ATOM 1059 CD GLN A 72 5.884 9.222 -6.369 1.00 0.00 C ATOM 1060 OE1 GLN A 72 5.603 10.233 -6.982 1.00 0.00 O ATOM 1061 NE2 GLN A 72 5.530 8.057 -6.836 1.00 0.00 N ATOM 1062 OXT GLN A 72 4.603 11.310 -1.965 1.00 0.00 O ATOM 0 H GLN A 72 3.843 8.039 -4.412 1.00 0.00 H new ATOM 0 HA GLN A 72 5.541 8.424 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.276 10.903 -4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.594 10.759 -3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.651 9.703 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.781 8.300 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.766 7.208 -6.322 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.017 7.994 -7.716 1.00 0.00 H new