USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 551 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 56 HIS :FLIP no HE2:sc= -17.2! C(o=-22!,f=-17!) USER MOD Set 1.2: A 58 TYR OH : rot 118:sc= 0.188 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -2.2 X(o=-2.2,f=-1.7!) USER MOD Single : A 19 SER OG : rot 67:sc= 1.1 USER MOD Single : A 21 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.35) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -13.1! C(o=-16!,f=-13!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -115:sc= -0.0728 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 64 TYR OH : rot -15:sc= -0.285 USER MOD Single : A 65 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 130:sc= -0.727 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -5.261 10.173 -9.532 1.00 0.00 N ATOM 2 CA ALA A 8 -4.266 9.714 -10.537 1.00 0.00 C ATOM 3 C ALA A 8 -4.773 8.417 -11.156 1.00 0.00 C ATOM 4 O ALA A 8 -5.579 7.717 -10.578 1.00 0.00 O ATOM 5 CB ALA A 8 -2.919 9.478 -9.850 1.00 0.00 C ATOM 0 HA ALA A 8 -4.134 10.467 -11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -2.189 9.141 -10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.574 10.407 -9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.033 8.717 -9.078 1.00 0.00 H new ATOM 11 N THR A 9 -4.319 8.093 -12.330 1.00 0.00 N ATOM 12 CA THR A 9 -4.790 6.849 -12.979 1.00 0.00 C ATOM 13 C THR A 9 -4.009 5.674 -12.418 1.00 0.00 C ATOM 14 O THR A 9 -2.838 5.787 -12.087 1.00 0.00 O ATOM 15 CB THR A 9 -4.602 6.943 -14.491 1.00 0.00 C ATOM 16 OG1 THR A 9 -5.741 6.399 -15.141 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.354 6.171 -14.916 1.00 0.00 C ATOM 0 H THR A 9 -3.643 8.637 -12.866 1.00 0.00 H new ATOM 0 HA THR A 9 -5.851 6.707 -12.776 1.00 0.00 H new ATOM 0 HB THR A 9 -4.482 7.990 -14.771 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.624 6.460 -16.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.231 6.245 -15.996 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.479 6.593 -14.421 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.461 5.123 -14.634 1.00 0.00 H new ATOM 25 N LEU A 10 -4.674 4.563 -12.287 1.00 0.00 N ATOM 26 CA LEU A 10 -4.047 3.346 -11.714 1.00 0.00 C ATOM 27 C LEU A 10 -3.502 2.459 -12.829 1.00 0.00 C ATOM 28 O LEU A 10 -4.169 1.550 -13.281 1.00 0.00 O ATOM 29 CB LEU A 10 -5.121 2.561 -10.949 1.00 0.00 C ATOM 30 CG LEU A 10 -5.607 3.355 -9.730 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.391 4.599 -10.166 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.515 2.464 -8.880 1.00 0.00 C ATOM 0 H LEU A 10 -5.650 4.447 -12.560 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.230 3.637 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.962 2.347 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.717 1.601 -10.627 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.739 3.673 -9.153 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.725 5.146 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.749 5.241 -10.769 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.257 4.296 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.864 3.023 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.371 2.145 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.958 1.588 -8.548 1.00 0.00 H new ATOM 44 N VAL A 11 -2.297 2.687 -13.269 1.00 0.00 N ATOM 45 CA VAL A 11 -1.746 1.814 -14.338 1.00 0.00 C ATOM 46 C VAL A 11 -0.930 0.708 -13.682 1.00 0.00 C ATOM 47 O VAL A 11 0.178 0.924 -13.251 1.00 0.00 O ATOM 48 CB VAL A 11 -0.849 2.618 -15.268 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.421 1.724 -16.437 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.622 3.822 -15.809 1.00 0.00 C ATOM 0 H VAL A 11 -1.679 3.429 -12.940 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.564 1.392 -14.922 1.00 0.00 H new ATOM 0 HB VAL A 11 0.029 2.967 -14.724 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.223 2.289 -17.111 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.123 0.861 -16.054 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.304 1.385 -16.978 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.979 4.398 -16.475 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.497 3.475 -16.359 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.941 4.452 -14.979 1.00 0.00 H new ATOM 60 N GLY A 12 -1.470 -0.471 -13.589 1.00 0.00 N ATOM 61 CA GLY A 12 -0.713 -1.578 -12.945 1.00 0.00 C ATOM 62 C GLY A 12 -0.446 -2.690 -13.960 1.00 0.00 C ATOM 63 O GLY A 12 -1.094 -3.716 -13.933 1.00 0.00 O ATOM 0 H GLY A 12 -2.400 -0.717 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.230 -1.202 -12.549 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.278 -1.973 -12.101 1.00 0.00 H new ATOM 67 N PRO A 13 0.513 -2.458 -14.824 1.00 0.00 N ATOM 68 CA PRO A 13 0.900 -3.435 -15.856 1.00 0.00 C ATOM 69 C PRO A 13 1.634 -4.632 -15.245 1.00 0.00 C ATOM 70 O PRO A 13 2.356 -4.520 -14.264 1.00 0.00 O ATOM 71 CB PRO A 13 1.812 -2.641 -16.792 1.00 0.00 C ATOM 72 CG PRO A 13 2.333 -1.440 -15.969 1.00 0.00 C ATOM 73 CD PRO A 13 1.298 -1.206 -14.853 1.00 0.00 C ATOM 0 HA PRO A 13 0.039 -3.860 -16.372 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.638 -3.258 -17.147 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.266 -2.302 -17.673 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.317 -1.652 -15.550 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.438 -0.554 -16.596 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.781 -1.016 -13.895 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.667 -0.344 -15.069 1.00 0.00 H new ATOM 81 N HIS A 14 1.444 -5.781 -15.828 1.00 0.00 N ATOM 82 CA HIS A 14 2.102 -7.013 -15.314 1.00 0.00 C ATOM 83 C HIS A 14 1.591 -8.220 -16.105 1.00 0.00 C ATOM 84 O HIS A 14 0.578 -8.155 -16.771 1.00 0.00 O ATOM 85 CB HIS A 14 1.761 -7.205 -13.827 1.00 0.00 C ATOM 86 CG HIS A 14 0.281 -7.003 -13.593 1.00 0.00 C ATOM 87 ND1 HIS A 14 -0.236 -6.756 -12.330 1.00 0.00 N ATOM 88 CD2 HIS A 14 -0.804 -7.022 -14.439 1.00 0.00 C ATOM 89 CE1 HIS A 14 -1.571 -6.638 -12.451 1.00 0.00 C ATOM 90 NE2 HIS A 14 -1.969 -6.792 -13.716 1.00 0.00 N ATOM 0 H HIS A 14 0.854 -5.921 -16.648 1.00 0.00 H new ATOM 0 HA HIS A 14 3.182 -6.920 -15.428 1.00 0.00 H new ATOM 0 HB2 HIS A 14 2.053 -8.205 -13.507 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.330 -6.499 -13.223 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.758 -7.190 -15.505 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.239 -6.443 -11.625 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.923 -6.750 -14.075 1.00 0.00 H new ATOM 98 N GLY A 15 2.270 -9.328 -16.021 1.00 0.00 N ATOM 99 CA GLY A 15 1.797 -10.540 -16.744 1.00 0.00 C ATOM 100 C GLY A 15 0.857 -11.292 -15.806 1.00 0.00 C ATOM 101 O GLY A 15 -0.071 -10.712 -15.276 1.00 0.00 O ATOM 0 H GLY A 15 3.129 -9.447 -15.485 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.281 -10.262 -17.663 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.639 -11.170 -17.030 1.00 0.00 H new ATOM 105 N PRO A 16 1.139 -12.545 -15.590 1.00 0.00 N ATOM 106 CA PRO A 16 0.345 -13.369 -14.677 1.00 0.00 C ATOM 107 C PRO A 16 0.788 -13.065 -13.250 1.00 0.00 C ATOM 108 O PRO A 16 1.940 -12.770 -13.004 1.00 0.00 O ATOM 109 CB PRO A 16 0.705 -14.799 -15.065 1.00 0.00 C ATOM 110 CG PRO A 16 2.084 -14.722 -15.768 1.00 0.00 C ATOM 111 CD PRO A 16 2.263 -13.260 -16.229 1.00 0.00 C ATOM 0 HA PRO A 16 -0.729 -13.193 -14.735 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.752 -15.441 -14.185 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.048 -15.223 -15.730 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.883 -15.014 -15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.124 -15.404 -16.617 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.225 -12.856 -15.912 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.224 -13.176 -17.315 1.00 0.00 H new ATOM 119 N LEU A 17 -0.101 -13.124 -12.307 1.00 0.00 N ATOM 120 CA LEU A 17 0.302 -12.825 -10.913 1.00 0.00 C ATOM 121 C LEU A 17 0.171 -14.090 -10.072 1.00 0.00 C ATOM 122 O LEU A 17 -0.787 -14.278 -9.352 1.00 0.00 O ATOM 123 CB LEU A 17 -0.586 -11.714 -10.348 1.00 0.00 C ATOM 124 CG LEU A 17 0.287 -10.523 -9.938 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.389 -10.994 -8.986 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.928 -9.900 -11.184 1.00 0.00 C ATOM 0 H LEU A 17 -1.083 -13.365 -12.439 1.00 0.00 H new ATOM 0 HA LEU A 17 1.338 -12.488 -10.891 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.317 -11.403 -11.094 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.145 -12.082 -9.488 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.335 -9.781 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.008 -10.144 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.938 -11.434 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.007 -11.740 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.548 -9.053 -10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.545 -10.645 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.147 -9.559 -11.863 1.00 0.00 H new ATOM 138 N ALA A 18 1.137 -14.957 -10.160 1.00 0.00 N ATOM 139 CA ALA A 18 1.088 -16.209 -9.366 1.00 0.00 C ATOM 140 C ALA A 18 1.800 -15.964 -8.040 1.00 0.00 C ATOM 141 O ALA A 18 2.402 -14.928 -7.835 1.00 0.00 O ATOM 142 CB ALA A 18 1.795 -17.330 -10.130 1.00 0.00 C ATOM 0 H ALA A 18 1.962 -14.851 -10.751 1.00 0.00 H new ATOM 0 HA ALA A 18 0.053 -16.501 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.758 -18.249 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.297 -17.489 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.835 -17.052 -10.304 1.00 0.00 H new ATOM 148 N SER A 19 1.734 -16.896 -7.134 1.00 0.00 N ATOM 149 CA SER A 19 2.406 -16.697 -5.825 1.00 0.00 C ATOM 150 C SER A 19 3.902 -16.482 -6.052 1.00 0.00 C ATOM 151 O SER A 19 4.596 -17.342 -6.557 1.00 0.00 O ATOM 152 CB SER A 19 2.198 -17.926 -4.944 1.00 0.00 C ATOM 153 OG SER A 19 3.250 -17.996 -3.991 1.00 0.00 O ATOM 0 H SER A 19 1.245 -17.784 -7.243 1.00 0.00 H new ATOM 0 HA SER A 19 1.980 -15.824 -5.330 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.235 -17.867 -4.438 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.183 -18.829 -5.555 1.00 0.00 H new ATOM 0 HG SER A 19 3.182 -17.239 -3.372 1.00 0.00 H new ATOM 159 N GLY A 20 4.399 -15.338 -5.679 1.00 0.00 N ATOM 160 CA GLY A 20 5.851 -15.060 -5.866 1.00 0.00 C ATOM 161 C GLY A 20 6.062 -14.335 -7.195 1.00 0.00 C ATOM 162 O GLY A 20 6.928 -14.684 -7.973 1.00 0.00 O ATOM 0 H GLY A 20 3.864 -14.582 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.225 -14.450 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.416 -15.992 -5.854 1.00 0.00 H new ATOM 166 N GLN A 21 5.270 -13.332 -7.464 1.00 0.00 N ATOM 167 CA GLN A 21 5.422 -12.589 -8.752 1.00 0.00 C ATOM 168 C GLN A 21 5.679 -11.101 -8.488 1.00 0.00 C ATOM 169 O GLN A 21 5.270 -10.551 -7.479 1.00 0.00 O ATOM 170 CB GLN A 21 4.147 -12.743 -9.582 1.00 0.00 C ATOM 171 CG GLN A 21 4.491 -13.360 -10.940 1.00 0.00 C ATOM 172 CD GLN A 21 5.297 -14.644 -10.731 1.00 0.00 C ATOM 173 OE1 GLN A 21 6.349 -14.815 -11.314 1.00 0.00 O ATOM 174 NE2 GLN A 21 4.845 -15.560 -9.919 1.00 0.00 N ATOM 0 H GLN A 21 4.527 -12.995 -6.852 1.00 0.00 H new ATOM 0 HA GLN A 21 6.272 -13.002 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.432 -13.374 -9.055 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.672 -11.772 -9.722 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.578 -13.578 -11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.065 -12.652 -11.538 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.962 -15.417 -9.429 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.375 -16.419 -9.774 1.00 0.00 H new ATOM 183 N LEU A 22 6.361 -10.452 -9.398 1.00 0.00 N ATOM 184 CA LEU A 22 6.666 -9.002 -9.235 1.00 0.00 C ATOM 185 C LEU A 22 5.858 -8.189 -10.249 1.00 0.00 C ATOM 186 O LEU A 22 6.273 -7.994 -11.374 1.00 0.00 O ATOM 187 CB LEU A 22 8.162 -8.774 -9.488 1.00 0.00 C ATOM 188 CG LEU A 22 8.618 -7.436 -8.885 1.00 0.00 C ATOM 189 CD1 LEU A 22 8.081 -6.268 -9.720 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.098 -7.308 -7.452 1.00 0.00 C ATOM 0 H LEU A 22 6.722 -10.871 -10.255 1.00 0.00 H new ATOM 0 HA LEU A 22 6.405 -8.686 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.738 -9.590 -9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.360 -8.782 -10.560 1.00 0.00 H new ATOM 0 HG LEU A 22 9.708 -7.408 -8.885 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.411 -5.326 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.458 -6.346 -10.740 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.992 -6.300 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.425 -6.358 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.009 -7.348 -7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.490 -8.127 -6.848 1.00 0.00 H new ATOM 202 N ALA A 23 4.718 -7.695 -9.857 1.00 0.00 N ATOM 203 CA ALA A 23 3.908 -6.873 -10.797 1.00 0.00 C ATOM 204 C ALA A 23 4.565 -5.499 -10.895 1.00 0.00 C ATOM 205 O ALA A 23 5.301 -5.108 -10.018 1.00 0.00 O ATOM 206 CB ALA A 23 2.493 -6.714 -10.248 1.00 0.00 C ATOM 0 H ALA A 23 4.313 -7.824 -8.930 1.00 0.00 H new ATOM 0 HA ALA A 23 3.858 -7.350 -11.776 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.901 -6.112 -10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.033 -7.696 -10.137 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.533 -6.220 -9.277 1.00 0.00 H new ATOM 212 N ALA A 24 4.315 -4.749 -11.931 1.00 0.00 N ATOM 213 CA ALA A 24 4.957 -3.408 -12.006 1.00 0.00 C ATOM 214 C ALA A 24 3.868 -2.358 -12.183 1.00 0.00 C ATOM 215 O ALA A 24 3.123 -2.383 -13.131 1.00 0.00 O ATOM 216 CB ALA A 24 5.944 -3.382 -13.170 1.00 0.00 C ATOM 0 H ALA A 24 3.708 -4.998 -12.712 1.00 0.00 H new ATOM 0 HA ALA A 24 5.509 -3.193 -11.091 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.415 -2.401 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.709 -4.143 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.414 -3.584 -14.101 1.00 0.00 H new ATOM 222 N PHE A 25 3.741 -1.466 -11.244 1.00 0.00 N ATOM 223 CA PHE A 25 2.660 -0.446 -11.321 1.00 0.00 C ATOM 224 C PHE A 25 3.205 0.934 -11.704 1.00 0.00 C ATOM 225 O PHE A 25 4.394 1.176 -11.719 1.00 0.00 O ATOM 226 CB PHE A 25 2.015 -0.317 -9.944 1.00 0.00 C ATOM 227 CG PHE A 25 1.156 -1.515 -9.630 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.703 -2.810 -9.610 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.199 -1.320 -9.339 1.00 0.00 C ATOM 230 CE1 PHE A 25 0.882 -3.904 -9.304 1.00 0.00 C ATOM 231 CE2 PHE A 25 -1.015 -2.414 -9.036 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.475 -3.706 -9.018 1.00 0.00 C ATOM 0 H PHE A 25 4.342 -1.398 -10.422 1.00 0.00 H new ATOM 0 HA PHE A 25 1.949 -0.769 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.790 -0.213 -9.185 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.409 0.588 -9.907 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.750 -2.961 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.615 -0.323 -9.349 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.296 -4.901 -9.289 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.061 -2.263 -8.816 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.106 -4.551 -8.783 1.00 0.00 H new ATOM 242 N HIS A 26 2.309 1.847 -11.974 1.00 0.00 N ATOM 243 CA HIS A 26 2.696 3.239 -12.319 1.00 0.00 C ATOM 244 C HIS A 26 1.429 4.108 -12.246 1.00 0.00 C ATOM 245 O HIS A 26 0.351 3.693 -12.637 1.00 0.00 O ATOM 246 CB HIS A 26 3.362 3.281 -13.710 1.00 0.00 C ATOM 247 CG HIS A 26 2.449 3.837 -14.767 1.00 0.00 C ATOM 248 ND1 HIS A 26 1.788 5.031 -14.876 1.00 0.00 N flip ATOM 249 CD2 HIS A 26 2.186 3.154 -15.942 1.00 0.00 C flip ATOM 250 CE1 HIS A 26 1.130 5.099 -16.099 1.00 0.00 C flip ATOM 251 NE2 HIS A 26 1.401 3.941 -16.702 1.00 0.00 N flip ATOM 0 H HIS A 26 1.303 1.678 -11.969 1.00 0.00 H new ATOM 0 HA HIS A 26 3.433 3.629 -11.617 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.266 3.888 -13.659 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.670 2.274 -13.993 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.779 5.762 -14.165 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.545 2.169 -16.202 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.530 5.913 -16.478 1.00 0.00 H new ATOM 259 N ILE A 27 1.541 5.294 -11.710 1.00 0.00 N ATOM 260 CA ILE A 27 0.341 6.172 -11.574 1.00 0.00 C ATOM 261 C ILE A 27 0.402 7.283 -12.620 1.00 0.00 C ATOM 262 O ILE A 27 1.466 7.668 -13.056 1.00 0.00 O ATOM 263 CB ILE A 27 0.307 6.794 -10.174 1.00 0.00 C ATOM 264 CG1 ILE A 27 1.030 5.892 -9.168 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.145 6.963 -9.736 1.00 0.00 C ATOM 266 CD1 ILE A 27 0.017 4.978 -8.478 1.00 0.00 C ATOM 0 H ILE A 27 2.412 5.694 -11.360 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.558 5.575 -11.725 1.00 0.00 H new ATOM 0 HB ILE A 27 0.808 7.762 -10.207 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.786 5.295 -9.678 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.550 6.500 -8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.176 7.405 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.663 7.615 -10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.635 5.989 -9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.533 4.337 -7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.722 5.584 -7.954 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.483 4.360 -9.224 1.00 0.00 H new ATOM 278 N ALA A 28 -0.725 7.798 -13.039 1.00 0.00 N ATOM 279 CA ALA A 28 -0.684 8.879 -14.078 1.00 0.00 C ATOM 280 C ALA A 28 -1.621 10.041 -13.723 1.00 0.00 C ATOM 281 O ALA A 28 -2.823 9.885 -13.685 1.00 0.00 O ATOM 282 CB ALA A 28 -1.131 8.298 -15.414 1.00 0.00 C ATOM 0 H ALA A 28 -1.654 7.527 -12.718 1.00 0.00 H new ATOM 0 HA ALA A 28 0.337 9.257 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.105 9.077 -16.176 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.461 7.487 -15.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.147 7.914 -15.322 1.00 0.00 H new ATOM 288 N ALA A 29 -1.086 11.213 -13.507 1.00 0.00 N ATOM 289 CA ALA A 29 -1.954 12.393 -13.197 1.00 0.00 C ATOM 290 C ALA A 29 -1.084 13.619 -12.903 1.00 0.00 C ATOM 291 O ALA A 29 -1.156 14.602 -13.615 1.00 0.00 O ATOM 292 CB ALA A 29 -2.846 12.093 -11.993 1.00 0.00 C ATOM 0 H ALA A 29 -0.085 11.407 -13.531 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.585 12.599 -14.062 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.472 12.959 -11.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.479 11.234 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.224 11.871 -11.126 1.00 0.00 H new ATOM 298 N PRO A 30 -0.285 13.538 -11.866 1.00 0.00 N ATOM 299 CA PRO A 30 0.606 14.641 -11.471 1.00 0.00 C ATOM 300 C PRO A 30 1.857 14.634 -12.351 1.00 0.00 C ATOM 301 O PRO A 30 2.944 14.424 -11.869 1.00 0.00 O ATOM 302 CB PRO A 30 0.956 14.312 -10.019 1.00 0.00 C ATOM 303 CG PRO A 30 0.732 12.794 -9.843 1.00 0.00 C ATOM 304 CD PRO A 30 -0.192 12.349 -10.990 1.00 0.00 C ATOM 0 HA PRO A 30 0.156 15.628 -11.579 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.990 14.579 -9.800 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.328 14.878 -9.331 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.679 12.256 -9.878 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.279 12.579 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.220 11.493 -11.524 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.172 12.051 -10.618 1.00 0.00 H new ATOM 312 N LEU A 31 1.680 14.848 -13.636 1.00 0.00 N ATOM 313 CA LEU A 31 2.810 14.847 -14.629 1.00 0.00 C ATOM 314 C LEU A 31 4.201 14.894 -13.969 1.00 0.00 C ATOM 315 O LEU A 31 4.961 13.955 -14.102 1.00 0.00 O ATOM 316 CB LEU A 31 2.645 16.031 -15.583 1.00 0.00 C ATOM 317 CG LEU A 31 2.061 15.533 -16.907 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.533 15.602 -16.850 1.00 0.00 C ATOM 319 CD2 LEU A 31 2.568 16.413 -18.051 1.00 0.00 C ATOM 0 H LEU A 31 0.767 15.030 -14.052 1.00 0.00 H new ATOM 0 HA LEU A 31 2.758 13.904 -15.173 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.988 16.781 -15.141 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.608 16.512 -15.755 1.00 0.00 H new ATOM 0 HG LEU A 31 2.372 14.502 -17.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.117 15.247 -17.793 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.171 14.975 -16.035 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.221 16.633 -16.681 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.152 16.059 -18.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.257 17.444 -17.882 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.656 16.364 -18.093 1.00 0.00 H new ATOM 331 N PRO A 32 4.510 15.971 -13.285 1.00 0.00 N ATOM 332 CA PRO A 32 5.819 16.120 -12.623 1.00 0.00 C ATOM 333 C PRO A 32 5.878 15.314 -11.316 1.00 0.00 C ATOM 334 O PRO A 32 5.870 15.872 -10.237 1.00 0.00 O ATOM 335 CB PRO A 32 5.906 17.621 -12.339 1.00 0.00 C ATOM 336 CG PRO A 32 4.453 18.149 -12.324 1.00 0.00 C ATOM 337 CD PRO A 32 3.606 17.129 -13.107 1.00 0.00 C ATOM 0 HA PRO A 32 6.643 15.750 -13.233 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.397 17.807 -11.384 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.495 18.127 -13.104 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.089 18.252 -11.302 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.394 19.135 -12.784 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.707 16.852 -12.557 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.282 17.533 -14.066 1.00 0.00 H new ATOM 345 N VAL A 33 5.956 14.010 -11.400 1.00 0.00 N ATOM 346 CA VAL A 33 6.035 13.195 -10.152 1.00 0.00 C ATOM 347 C VAL A 33 7.489 12.823 -9.883 1.00 0.00 C ATOM 348 O VAL A 33 8.165 12.270 -10.726 1.00 0.00 O ATOM 349 CB VAL A 33 5.234 11.897 -10.286 1.00 0.00 C ATOM 350 CG1 VAL A 33 4.931 11.348 -8.891 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.922 12.158 -11.014 1.00 0.00 C ATOM 0 H VAL A 33 5.968 13.479 -12.271 1.00 0.00 H new ATOM 0 HA VAL A 33 5.623 13.790 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 33 5.820 11.176 -10.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.361 10.423 -8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.866 11.149 -8.367 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.350 12.080 -8.330 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.363 11.226 -11.102 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.333 12.883 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.130 12.552 -12.009 1.00 0.00 H new ATOM 361 N THR A 34 7.967 13.101 -8.706 1.00 0.00 N ATOM 362 CA THR A 34 9.368 12.739 -8.369 1.00 0.00 C ATOM 363 C THR A 34 9.362 11.621 -7.324 1.00 0.00 C ATOM 364 O THR A 34 10.362 10.970 -7.089 1.00 0.00 O ATOM 365 CB THR A 34 10.100 13.965 -7.819 1.00 0.00 C ATOM 366 OG1 THR A 34 9.263 14.640 -6.891 1.00 0.00 O ATOM 367 CG2 THR A 34 10.448 14.906 -8.974 1.00 0.00 C ATOM 0 H THR A 34 7.447 13.564 -7.961 1.00 0.00 H new ATOM 0 HA THR A 34 9.883 12.393 -9.265 1.00 0.00 H new ATOM 0 HB THR A 34 11.015 13.650 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.732 15.424 -6.537 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.970 15.781 -8.586 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.090 14.387 -9.686 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.533 15.222 -9.474 1.00 0.00 H new ATOM 375 N ALA A 35 8.240 11.388 -6.698 1.00 0.00 N ATOM 376 CA ALA A 35 8.162 10.314 -5.673 1.00 0.00 C ATOM 377 C ALA A 35 6.697 9.967 -5.395 1.00 0.00 C ATOM 378 O ALA A 35 5.817 10.806 -5.467 1.00 0.00 O ATOM 379 CB ALA A 35 8.817 10.809 -4.386 1.00 0.00 C ATOM 0 H ALA A 35 7.371 11.899 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 35 8.677 9.425 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.765 10.028 -3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.860 11.057 -4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.294 11.696 -4.030 1.00 0.00 H new ATOM 385 N THR A 36 6.437 8.731 -5.068 1.00 0.00 N ATOM 386 CA THR A 36 5.042 8.303 -4.767 1.00 0.00 C ATOM 387 C THR A 36 5.081 7.333 -3.585 1.00 0.00 C ATOM 388 O THR A 36 6.116 6.785 -3.258 1.00 0.00 O ATOM 389 CB THR A 36 4.444 7.585 -5.980 1.00 0.00 C ATOM 390 OG1 THR A 36 3.245 6.924 -5.599 1.00 0.00 O ATOM 391 CG2 THR A 36 5.443 6.560 -6.507 1.00 0.00 C ATOM 0 H THR A 36 7.138 7.993 -4.996 1.00 0.00 H new ATOM 0 HA THR A 36 4.432 9.175 -4.530 1.00 0.00 H new ATOM 0 HB THR A 36 4.224 8.314 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.364 5.955 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.018 6.048 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.362 7.066 -6.801 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.663 5.832 -5.726 1.00 0.00 H new ATOM 399 N ARG A 37 3.972 7.109 -2.946 1.00 0.00 N ATOM 400 CA ARG A 37 3.956 6.169 -1.798 1.00 0.00 C ATOM 401 C ARG A 37 2.862 5.131 -2.015 1.00 0.00 C ATOM 402 O ARG A 37 1.701 5.381 -1.785 1.00 0.00 O ATOM 403 CB ARG A 37 3.693 6.935 -0.502 1.00 0.00 C ATOM 404 CG ARG A 37 4.887 6.762 0.438 1.00 0.00 C ATOM 405 CD ARG A 37 5.129 8.065 1.202 1.00 0.00 C ATOM 406 NE ARG A 37 3.834 8.583 1.727 1.00 0.00 N ATOM 407 CZ ARG A 37 3.505 8.375 2.973 1.00 0.00 C ATOM 408 NH1 ARG A 37 2.936 7.253 3.320 1.00 0.00 N ATOM 409 NH2 ARG A 37 3.746 9.291 3.871 1.00 0.00 N ATOM 0 H ARG A 37 3.074 7.537 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 37 4.922 5.671 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.534 7.992 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.784 6.566 -0.026 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.697 5.948 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.776 6.492 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.824 7.893 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.589 8.804 0.545 1.00 0.00 H new ATOM 0 HE ARG A 37 3.205 9.100 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.748 6.538 2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.679 7.091 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.191 10.168 3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.490 9.130 4.845 1.00 0.00 H new ATOM 423 N TRP A 38 3.225 3.964 -2.455 1.00 0.00 N ATOM 424 CA TRP A 38 2.203 2.912 -2.691 1.00 0.00 C ATOM 425 C TRP A 38 1.972 2.134 -1.407 1.00 0.00 C ATOM 426 O TRP A 38 2.609 2.361 -0.397 1.00 0.00 O ATOM 427 CB TRP A 38 2.700 1.912 -3.732 1.00 0.00 C ATOM 428 CG TRP A 38 2.991 2.576 -5.031 1.00 0.00 C ATOM 429 CD1 TRP A 38 3.995 3.452 -5.261 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.298 2.403 -6.294 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.965 3.816 -6.595 1.00 0.00 N ATOM 432 CE2 TRP A 38 2.934 3.198 -7.270 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.186 1.638 -6.679 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.490 3.229 -8.589 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.731 1.670 -8.003 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.383 2.464 -8.957 1.00 0.00 C ATOM 0 H TRP A 38 4.186 3.692 -2.662 1.00 0.00 H new ATOM 0 HA TRP A 38 1.290 3.399 -3.033 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.600 1.420 -3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.949 1.135 -3.879 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.702 3.808 -4.526 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.625 4.463 -7.027 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.679 1.022 -5.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.998 3.840 -9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.127 1.080 -8.291 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.028 2.483 -9.977 1.00 0.00 H new ATOM 447 N ASP A 39 1.087 1.192 -1.458 1.00 0.00 N ATOM 448 CA ASP A 39 0.826 0.349 -0.273 1.00 0.00 C ATOM 449 C ASP A 39 0.467 -1.038 -0.783 1.00 0.00 C ATOM 450 O ASP A 39 -0.618 -1.264 -1.279 1.00 0.00 O ATOM 451 CB ASP A 39 -0.321 0.933 0.548 1.00 0.00 C ATOM 452 CG ASP A 39 0.250 1.568 1.813 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.589 2.742 1.760 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.345 0.872 2.809 1.00 0.00 O ATOM 0 H ASP A 39 0.526 0.967 -2.280 1.00 0.00 H new ATOM 0 HA ASP A 39 1.702 0.305 0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.862 1.677 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.035 0.151 0.808 1.00 0.00 H new ATOM 459 N PHE A 40 1.381 -1.964 -0.707 1.00 0.00 N ATOM 460 CA PHE A 40 1.079 -3.320 -1.244 1.00 0.00 C ATOM 461 C PHE A 40 0.271 -4.124 -0.229 1.00 0.00 C ATOM 462 O PHE A 40 -0.819 -4.578 -0.514 1.00 0.00 O ATOM 463 CB PHE A 40 2.366 -4.083 -1.576 1.00 0.00 C ATOM 464 CG PHE A 40 3.320 -3.231 -2.388 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.867 -2.084 -3.051 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.666 -3.612 -2.494 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.756 -1.321 -3.815 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.552 -2.843 -3.255 1.00 0.00 C ATOM 469 CZ PHE A 40 5.097 -1.700 -3.915 1.00 0.00 C ATOM 0 H PHE A 40 2.310 -1.845 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 40 0.499 -3.191 -2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.853 -4.398 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.121 -4.988 -2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.831 -1.788 -2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.018 -4.499 -1.988 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.405 -0.438 -4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.589 -3.134 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.782 -1.108 -4.504 1.00 0.00 H new ATOM 479 N GLY A 41 0.799 -4.329 0.944 1.00 0.00 N ATOM 480 CA GLY A 41 0.055 -5.131 1.957 1.00 0.00 C ATOM 481 C GLY A 41 0.415 -6.613 1.798 1.00 0.00 C ATOM 482 O GLY A 41 -0.169 -7.474 2.423 1.00 0.00 O ATOM 0 H GLY A 41 1.708 -3.979 1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.305 -4.790 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.019 -4.991 1.831 1.00 0.00 H new ATOM 486 N ASP A 42 1.389 -6.910 0.976 1.00 0.00 N ATOM 487 CA ASP A 42 1.814 -8.325 0.774 1.00 0.00 C ATOM 488 C ASP A 42 3.044 -8.580 1.643 1.00 0.00 C ATOM 489 O ASP A 42 3.975 -9.252 1.243 1.00 0.00 O ATOM 490 CB ASP A 42 2.207 -8.520 -0.695 1.00 0.00 C ATOM 491 CG ASP A 42 3.156 -7.391 -1.146 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.929 -6.910 -0.325 1.00 0.00 O ATOM 493 OD2 ASP A 42 3.097 -7.030 -2.308 1.00 0.00 O ATOM 0 H ASP A 42 1.912 -6.224 0.431 1.00 0.00 H new ATOM 0 HA ASP A 42 1.006 -9.007 1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.693 -9.487 -0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.314 -8.526 -1.320 1.00 0.00 H new ATOM 498 N GLY A 43 3.086 -7.985 2.796 1.00 0.00 N ATOM 499 CA GLY A 43 4.287 -8.107 3.657 1.00 0.00 C ATOM 500 C GLY A 43 4.961 -6.740 3.606 1.00 0.00 C ATOM 501 O GLY A 43 5.441 -6.224 4.596 1.00 0.00 O ATOM 0 H GLY A 43 2.334 -7.415 3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.013 -8.372 4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.954 -8.888 3.293 1.00 0.00 H new ATOM 505 N SER A 44 4.944 -6.131 2.441 1.00 0.00 N ATOM 506 CA SER A 44 5.516 -4.772 2.285 1.00 0.00 C ATOM 507 C SER A 44 4.344 -3.790 2.264 1.00 0.00 C ATOM 508 O SER A 44 3.718 -3.571 1.244 1.00 0.00 O ATOM 509 CB SER A 44 6.289 -4.687 0.966 1.00 0.00 C ATOM 510 OG SER A 44 7.408 -5.562 1.024 1.00 0.00 O ATOM 0 H SER A 44 4.552 -6.530 1.588 1.00 0.00 H new ATOM 0 HA SER A 44 6.201 -4.540 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.641 -4.960 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.621 -3.664 0.790 1.00 0.00 H new ATOM 0 HG SER A 44 7.906 -5.513 0.181 1.00 0.00 H new ATOM 516 N ALA A 45 4.017 -3.224 3.393 1.00 0.00 N ATOM 517 CA ALA A 45 2.863 -2.283 3.448 1.00 0.00 C ATOM 518 C ALA A 45 3.214 -0.978 2.737 1.00 0.00 C ATOM 519 O ALA A 45 3.001 -0.836 1.542 1.00 0.00 O ATOM 520 CB ALA A 45 2.511 -2.000 4.912 1.00 0.00 C ATOM 0 H ALA A 45 4.499 -3.372 4.280 1.00 0.00 H new ATOM 0 HA ALA A 45 2.006 -2.734 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.667 -1.312 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.245 -2.933 5.409 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.370 -1.554 5.413 1.00 0.00 H new ATOM 526 N GLU A 46 3.741 -0.032 3.469 1.00 0.00 N ATOM 527 CA GLU A 46 4.113 1.286 2.875 1.00 0.00 C ATOM 528 C GLU A 46 5.071 1.073 1.705 1.00 0.00 C ATOM 529 O GLU A 46 5.857 0.145 1.694 1.00 0.00 O ATOM 530 CB GLU A 46 4.794 2.151 3.940 1.00 0.00 C ATOM 531 CG GLU A 46 3.766 2.577 4.990 1.00 0.00 C ATOM 532 CD GLU A 46 2.571 3.234 4.300 1.00 0.00 C ATOM 533 OE1 GLU A 46 2.792 4.122 3.492 1.00 0.00 O ATOM 534 OE2 GLU A 46 1.455 2.838 4.590 1.00 0.00 O ATOM 0 H GLU A 46 3.932 -0.118 4.467 1.00 0.00 H new ATOM 0 HA GLU A 46 3.213 1.787 2.517 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.602 1.594 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.242 3.030 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.437 1.711 5.564 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.219 3.273 5.696 1.00 0.00 H new ATOM 541 N VAL A 47 4.992 1.908 0.706 1.00 0.00 N ATOM 542 CA VAL A 47 5.873 1.732 -0.480 1.00 0.00 C ATOM 543 C VAL A 47 6.482 3.066 -0.912 1.00 0.00 C ATOM 544 O VAL A 47 5.822 3.889 -1.502 1.00 0.00 O ATOM 545 CB VAL A 47 5.026 1.196 -1.627 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.894 1.005 -2.862 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.420 -0.145 -1.228 1.00 0.00 C ATOM 0 H VAL A 47 4.356 2.704 0.661 1.00 0.00 H new ATOM 0 HA VAL A 47 6.679 1.045 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 47 4.231 1.908 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.284 0.621 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.330 1.961 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.691 0.295 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.814 -0.529 -2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.218 -0.853 -1.004 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.794 -0.013 -0.345 1.00 0.00 H new ATOM 557 N ASP A 48 7.743 3.273 -0.660 1.00 0.00 N ATOM 558 CA ASP A 48 8.385 4.543 -1.101 1.00 0.00 C ATOM 559 C ASP A 48 8.897 4.349 -2.530 1.00 0.00 C ATOM 560 O ASP A 48 9.980 3.844 -2.748 1.00 0.00 O ATOM 561 CB ASP A 48 9.552 4.879 -0.170 1.00 0.00 C ATOM 562 CG ASP A 48 9.103 5.926 0.850 1.00 0.00 C ATOM 563 OD1 ASP A 48 8.693 6.996 0.430 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.173 5.639 2.033 1.00 0.00 O ATOM 0 H ASP A 48 8.356 2.621 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 48 7.667 5.362 -1.069 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.894 3.979 0.342 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.396 5.257 -0.748 1.00 0.00 H new ATOM 569 N ALA A 49 8.113 4.720 -3.507 1.00 0.00 N ATOM 570 CA ALA A 49 8.544 4.527 -4.923 1.00 0.00 C ATOM 571 C ALA A 49 9.044 5.841 -5.522 1.00 0.00 C ATOM 572 O ALA A 49 8.839 6.911 -4.978 1.00 0.00 O ATOM 573 CB ALA A 49 7.359 4.025 -5.742 1.00 0.00 C ATOM 0 H ALA A 49 7.195 5.147 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 49 9.356 3.801 -4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.667 3.882 -6.778 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.010 3.077 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.552 4.757 -5.701 1.00 0.00 H new ATOM 579 N ALA A 50 9.697 5.758 -6.653 1.00 0.00 N ATOM 580 CA ALA A 50 10.223 6.981 -7.318 1.00 0.00 C ATOM 581 C ALA A 50 9.247 7.433 -8.408 1.00 0.00 C ATOM 582 O ALA A 50 8.549 6.626 -9.007 1.00 0.00 O ATOM 583 CB ALA A 50 11.581 6.675 -7.953 1.00 0.00 C ATOM 0 H ALA A 50 9.888 4.886 -7.146 1.00 0.00 H new ATOM 0 HA ALA A 50 10.335 7.773 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.965 7.571 -8.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.280 6.354 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.467 5.882 -8.692 1.00 0.00 H new ATOM 589 N GLY A 51 9.201 8.718 -8.663 1.00 0.00 N ATOM 590 CA GLY A 51 8.279 9.257 -9.706 1.00 0.00 C ATOM 591 C GLY A 51 6.913 8.598 -9.567 1.00 0.00 C ATOM 592 O GLY A 51 6.541 8.167 -8.495 1.00 0.00 O ATOM 0 H GLY A 51 9.768 9.420 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.185 10.338 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.686 9.068 -10.699 1.00 0.00 H new ATOM 596 N PRO A 52 6.204 8.533 -10.656 1.00 0.00 N ATOM 597 CA PRO A 52 4.881 7.911 -10.693 1.00 0.00 C ATOM 598 C PRO A 52 5.007 6.409 -10.986 1.00 0.00 C ATOM 599 O PRO A 52 4.233 5.870 -11.749 1.00 0.00 O ATOM 600 CB PRO A 52 4.204 8.607 -11.874 1.00 0.00 C ATOM 601 CG PRO A 52 5.342 9.126 -12.788 1.00 0.00 C ATOM 602 CD PRO A 52 6.635 9.107 -11.946 1.00 0.00 C ATOM 0 HA PRO A 52 4.336 8.009 -9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.558 7.915 -12.414 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.575 9.429 -11.532 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.447 8.495 -13.671 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.125 10.134 -13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.410 8.501 -12.415 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.046 10.109 -11.821 1.00 0.00 H new ATOM 610 N ALA A 53 5.974 5.715 -10.427 1.00 0.00 N ATOM 611 CA ALA A 53 6.074 4.263 -10.760 1.00 0.00 C ATOM 612 C ALA A 53 6.511 3.427 -9.555 1.00 0.00 C ATOM 613 O ALA A 53 7.171 3.896 -8.652 1.00 0.00 O ATOM 614 CB ALA A 53 7.077 4.073 -11.896 1.00 0.00 C ATOM 0 H ALA A 53 6.673 6.078 -9.778 1.00 0.00 H new ATOM 0 HA ALA A 53 5.084 3.922 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.152 3.014 -12.141 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.742 4.626 -12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 53 8.054 4.444 -11.585 1.00 0.00 H new ATOM 620 N ALA A 54 6.141 2.173 -9.567 1.00 0.00 N ATOM 621 CA ALA A 54 6.508 1.238 -8.465 1.00 0.00 C ATOM 622 C ALA A 54 6.239 -0.185 -8.947 1.00 0.00 C ATOM 623 O ALA A 54 5.983 -0.413 -10.111 1.00 0.00 O ATOM 624 CB ALA A 54 5.649 1.525 -7.230 1.00 0.00 C ATOM 0 H ALA A 54 5.587 1.750 -10.312 1.00 0.00 H new ATOM 0 HA ALA A 54 7.558 1.364 -8.200 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.923 0.838 -6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.816 2.551 -6.901 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.597 1.391 -7.480 1.00 0.00 H new ATOM 630 N SER A 55 6.281 -1.141 -8.069 1.00 0.00 N ATOM 631 CA SER A 55 6.009 -2.545 -8.485 1.00 0.00 C ATOM 632 C SER A 55 5.567 -3.350 -7.268 1.00 0.00 C ATOM 633 O SER A 55 5.990 -3.099 -6.162 1.00 0.00 O ATOM 634 CB SER A 55 7.257 -3.165 -9.095 1.00 0.00 C ATOM 635 OG SER A 55 8.361 -2.292 -8.913 1.00 0.00 O ATOM 0 H SER A 55 6.492 -1.014 -7.079 1.00 0.00 H new ATOM 0 HA SER A 55 5.218 -2.553 -9.235 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.462 -4.128 -8.628 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.100 -3.352 -10.157 1.00 0.00 H new ATOM 0 HG SER A 55 9.164 -2.694 -9.305 1.00 0.00 H new ATOM 641 N HIS A 56 4.699 -4.298 -7.461 1.00 0.00 N ATOM 642 CA HIS A 56 4.204 -5.097 -6.309 1.00 0.00 C ATOM 643 C HIS A 56 4.923 -6.441 -6.229 1.00 0.00 C ATOM 644 O HIS A 56 5.056 -7.148 -7.203 1.00 0.00 O ATOM 645 CB HIS A 56 2.709 -5.338 -6.485 1.00 0.00 C ATOM 646 CG HIS A 56 1.951 -4.249 -5.788 1.00 0.00 C ATOM 647 ND1 HIS A 56 1.133 -4.269 -4.692 1.00 0.00 N flip ATOM 648 CD2 HIS A 56 1.986 -2.929 -6.211 1.00 0.00 C flip ATOM 649 CE1 HIS A 56 0.661 -2.991 -4.434 1.00 0.00 C flip ATOM 650 NE2 HIS A 56 1.208 -2.220 -5.374 1.00 0.00 N flip ATOM 0 H HIS A 56 4.310 -4.555 -8.368 1.00 0.00 H new ATOM 0 HA HIS A 56 4.398 -4.546 -5.389 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.453 -5.355 -7.544 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.434 -6.310 -6.075 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.904 -5.100 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 56 2.536 -2.542 -7.056 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.006 -2.686 -3.642 1.00 0.00 H new ATOM 658 N ARG A 57 5.356 -6.806 -5.057 1.00 0.00 N ATOM 659 CA ARG A 57 6.037 -8.118 -4.883 1.00 0.00 C ATOM 660 C ARG A 57 5.081 -9.045 -4.138 1.00 0.00 C ATOM 661 O ARG A 57 5.079 -9.111 -2.924 1.00 0.00 O ATOM 662 CB ARG A 57 7.338 -7.946 -4.081 1.00 0.00 C ATOM 663 CG ARG A 57 7.096 -7.068 -2.848 1.00 0.00 C ATOM 664 CD ARG A 57 8.007 -5.840 -2.907 1.00 0.00 C ATOM 665 NE ARG A 57 7.702 -5.050 -4.135 1.00 0.00 N ATOM 666 CZ ARG A 57 8.673 -4.551 -4.851 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.713 -5.284 -5.148 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.602 -3.321 -5.277 1.00 0.00 N ATOM 0 H ARG A 57 5.267 -6.249 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 57 6.296 -8.538 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.713 -8.922 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.104 -7.495 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.052 -6.757 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.293 -7.637 -1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.861 -5.223 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.052 -6.150 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 57 6.733 -4.899 -4.416 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.768 -6.248 -4.820 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.470 -4.892 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.788 -2.749 -5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.360 -2.930 -5.836 1.00 0.00 H new ATOM 682 N TYR A 58 4.251 -9.748 -4.858 1.00 0.00 N ATOM 683 CA TYR A 58 3.277 -10.653 -4.192 1.00 0.00 C ATOM 684 C TYR A 58 3.917 -12.025 -3.994 1.00 0.00 C ATOM 685 O TYR A 58 4.569 -12.545 -4.874 1.00 0.00 O ATOM 686 CB TYR A 58 2.022 -10.763 -5.063 1.00 0.00 C ATOM 687 CG TYR A 58 1.226 -9.483 -4.936 1.00 0.00 C ATOM 688 CD1 TYR A 58 1.033 -8.915 -3.673 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.687 -8.859 -6.069 1.00 0.00 C ATOM 690 CE1 TYR A 58 0.300 -7.730 -3.541 1.00 0.00 C ATOM 691 CE2 TYR A 58 -0.043 -7.676 -5.934 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.238 -7.113 -4.671 1.00 0.00 C ATOM 693 OH TYR A 58 -0.974 -5.953 -4.538 1.00 0.00 O ATOM 0 H TYR A 58 4.206 -9.734 -5.877 1.00 0.00 H new ATOM 0 HA TYR A 58 2.997 -10.255 -3.217 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.299 -10.934 -6.103 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.419 -11.615 -4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.450 -9.391 -2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.836 -9.293 -7.047 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.151 -7.293 -2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.457 -7.196 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.527 -5.225 -5.018 1.00 0.00 H new ATOM 703 N VAL A 59 3.761 -12.605 -2.833 1.00 0.00 N ATOM 704 CA VAL A 59 4.391 -13.934 -2.577 1.00 0.00 C ATOM 705 C VAL A 59 3.361 -14.949 -2.047 1.00 0.00 C ATOM 706 O VAL A 59 3.627 -16.133 -2.001 1.00 0.00 O ATOM 707 CB VAL A 59 5.511 -13.762 -1.547 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.916 -13.322 -0.208 1.00 0.00 C ATOM 709 CG2 VAL A 59 6.251 -15.089 -1.362 1.00 0.00 C ATOM 0 H VAL A 59 3.227 -12.218 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 59 4.790 -14.316 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 59 6.209 -13.004 -1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.715 -13.200 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.394 -12.374 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.214 -14.078 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.047 -14.962 -0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.553 -15.849 -1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.681 -15.402 -2.314 1.00 0.00 H new ATOM 719 N LEU A 60 2.195 -14.514 -1.645 1.00 0.00 N ATOM 720 CA LEU A 60 1.185 -15.482 -1.123 1.00 0.00 C ATOM 721 C LEU A 60 0.028 -15.601 -2.116 1.00 0.00 C ATOM 722 O LEU A 60 -0.348 -14.632 -2.744 1.00 0.00 O ATOM 723 CB LEU A 60 0.651 -14.981 0.223 1.00 0.00 C ATOM 724 CG LEU A 60 0.610 -16.137 1.225 1.00 0.00 C ATOM 725 CD1 LEU A 60 1.363 -15.739 2.494 1.00 0.00 C ATOM 726 CD2 LEU A 60 -0.846 -16.453 1.579 1.00 0.00 C ATOM 0 H LEU A 60 1.900 -13.538 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 60 1.651 -16.458 -0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.287 -14.181 0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.347 -14.562 0.096 1.00 0.00 H new ATOM 0 HG LEU A 60 1.079 -17.016 0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.334 -16.562 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.399 -15.511 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.893 -14.860 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.876 -17.276 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.312 -15.572 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.387 -16.736 0.676 1.00 0.00 H new ATOM 738 N PRO A 61 -0.508 -16.789 -2.223 1.00 0.00 N ATOM 739 CA PRO A 61 -1.634 -17.068 -3.130 1.00 0.00 C ATOM 740 C PRO A 61 -2.938 -16.559 -2.512 1.00 0.00 C ATOM 741 O PRO A 61 -3.374 -17.034 -1.482 1.00 0.00 O ATOM 742 CB PRO A 61 -1.635 -18.594 -3.242 1.00 0.00 C ATOM 743 CG PRO A 61 -0.903 -19.124 -1.987 1.00 0.00 C ATOM 744 CD PRO A 61 -0.044 -17.962 -1.455 1.00 0.00 C ATOM 0 HA PRO A 61 -1.544 -16.581 -4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.654 -18.979 -3.289 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.129 -18.917 -4.152 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.617 -19.455 -1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -0.281 -19.984 -2.236 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.187 -17.819 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.018 -18.147 -1.613 1.00 0.00 H new ATOM 752 N GLY A 62 -3.560 -15.594 -3.130 1.00 0.00 N ATOM 753 CA GLY A 62 -4.831 -15.054 -2.574 1.00 0.00 C ATOM 754 C GLY A 62 -5.139 -13.710 -3.229 1.00 0.00 C ATOM 755 O GLY A 62 -4.899 -13.512 -4.402 1.00 0.00 O ATOM 0 H GLY A 62 -3.243 -15.157 -3.995 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.646 -15.754 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.747 -14.934 -1.494 1.00 0.00 H new ATOM 759 N ARG A 63 -5.668 -12.784 -2.483 1.00 0.00 N ATOM 760 CA ARG A 63 -5.988 -11.454 -3.070 1.00 0.00 C ATOM 761 C ARG A 63 -5.160 -10.380 -2.364 1.00 0.00 C ATOM 762 O ARG A 63 -4.669 -10.579 -1.270 1.00 0.00 O ATOM 763 CB ARG A 63 -7.480 -11.153 -2.891 1.00 0.00 C ATOM 764 CG ARG A 63 -8.267 -12.460 -2.759 1.00 0.00 C ATOM 765 CD ARG A 63 -8.526 -12.755 -1.279 1.00 0.00 C ATOM 766 NE ARG A 63 -9.823 -12.144 -0.874 1.00 0.00 N ATOM 767 CZ ARG A 63 -10.906 -12.874 -0.814 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.049 -13.908 -1.600 1.00 0.00 N ATOM 769 NH2 ARG A 63 -11.851 -12.567 0.032 1.00 0.00 N ATOM 0 H ARG A 63 -5.893 -12.889 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.751 -11.460 -4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.631 -10.537 -2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.849 -10.582 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.212 -12.383 -3.296 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.709 -13.280 -3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.550 -13.832 -1.110 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.716 -12.354 -0.669 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.866 -11.152 -0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.314 -14.149 -2.265 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.896 -14.474 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.744 -11.759 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.697 -13.135 0.080 1.00 0.00 H new ATOM 783 N TYR A 64 -4.996 -9.247 -2.986 1.00 0.00 N ATOM 784 CA TYR A 64 -4.196 -8.159 -2.359 1.00 0.00 C ATOM 785 C TYR A 64 -4.867 -6.812 -2.639 1.00 0.00 C ATOM 786 O TYR A 64 -5.662 -6.681 -3.551 1.00 0.00 O ATOM 787 CB TYR A 64 -2.793 -8.149 -2.969 1.00 0.00 C ATOM 788 CG TYR A 64 -1.965 -9.296 -2.431 1.00 0.00 C ATOM 789 CD1 TYR A 64 -1.391 -9.230 -1.149 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.746 -10.422 -3.235 1.00 0.00 C ATOM 791 CE1 TYR A 64 -0.609 -10.293 -0.678 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.961 -11.479 -2.765 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.392 -11.416 -1.488 1.00 0.00 C ATOM 794 OH TYR A 64 0.388 -12.454 -1.027 1.00 0.00 O ATOM 0 H TYR A 64 -5.382 -9.027 -3.904 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.133 -8.326 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.863 -8.223 -4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.301 -7.203 -2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.553 -8.361 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.185 -10.474 -4.221 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.173 -10.247 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.793 -12.345 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 64 0.899 -12.157 -0.245 1.00 0.00 H new ATOM 804 N HIS A 65 -4.542 -5.809 -1.871 1.00 0.00 N ATOM 805 CA HIS A 65 -5.144 -4.463 -2.094 1.00 0.00 C ATOM 806 C HIS A 65 -4.014 -3.460 -2.338 1.00 0.00 C ATOM 807 O HIS A 65 -2.963 -3.547 -1.738 1.00 0.00 O ATOM 808 CB HIS A 65 -5.946 -4.051 -0.857 1.00 0.00 C ATOM 809 CG HIS A 65 -6.558 -2.695 -1.076 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.840 -2.533 -1.578 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.078 -1.427 -0.860 1.00 0.00 C ATOM 812 CE1 HIS A 65 -8.086 -1.212 -1.646 1.00 0.00 C ATOM 813 NE2 HIS A 65 -7.044 -0.493 -1.220 1.00 0.00 N ATOM 0 H HIS A 65 -3.882 -5.863 -1.095 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.811 -4.487 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.727 -4.785 -0.657 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.297 -4.030 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.099 -1.191 -0.470 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -9.012 -0.785 -2.001 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -6.972 0.523 -1.169 1.00 0.00 H new ATOM 821 N VAL A 66 -4.203 -2.521 -3.225 1.00 0.00 N ATOM 822 CA VAL A 66 -3.114 -1.543 -3.502 1.00 0.00 C ATOM 823 C VAL A 66 -3.609 -0.109 -3.327 1.00 0.00 C ATOM 824 O VAL A 66 -4.754 0.202 -3.569 1.00 0.00 O ATOM 825 CB VAL A 66 -2.633 -1.704 -4.942 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.390 -0.838 -5.158 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.286 -3.168 -5.214 1.00 0.00 C ATOM 0 H VAL A 66 -5.058 -2.390 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.304 -1.737 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.424 -1.391 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.043 -0.950 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.637 0.207 -4.970 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.603 -1.153 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.944 -3.276 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.497 -3.487 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.170 -3.786 -5.059 1.00 0.00 H new ATOM 837 N THR A 67 -2.724 0.766 -2.936 1.00 0.00 N ATOM 838 CA THR A 67 -3.078 2.204 -2.770 1.00 0.00 C ATOM 839 C THR A 67 -1.818 3.021 -3.049 1.00 0.00 C ATOM 840 O THR A 67 -0.722 2.498 -3.003 1.00 0.00 O ATOM 841 CB THR A 67 -3.557 2.485 -1.341 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.514 3.111 -0.609 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.952 1.179 -0.650 1.00 0.00 C ATOM 0 H THR A 67 -1.753 0.541 -2.721 1.00 0.00 H new ATOM 0 HA THR A 67 -3.883 2.469 -3.455 1.00 0.00 H new ATOM 0 HB THR A 67 -4.426 3.142 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.819 3.293 0.304 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.290 1.392 0.364 1.00 0.00 H new ATOM 0 HG22 THR A 67 -4.757 0.701 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.091 0.512 -0.613 1.00 0.00 H new ATOM 851 N ALA A 68 -1.944 4.289 -3.343 1.00 0.00 N ATOM 852 CA ALA A 68 -0.714 5.090 -3.618 1.00 0.00 C ATOM 853 C ALA A 68 -0.919 6.561 -3.262 1.00 0.00 C ATOM 854 O ALA A 68 -2.014 7.084 -3.291 1.00 0.00 O ATOM 855 CB ALA A 68 -0.343 4.993 -5.102 1.00 0.00 C ATOM 0 H ALA A 68 -2.827 4.797 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 68 0.087 4.683 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.555 5.581 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.157 3.951 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.163 5.378 -5.708 1.00 0.00 H new ATOM 861 N VAL A 69 0.154 7.229 -2.949 1.00 0.00 N ATOM 862 CA VAL A 69 0.097 8.675 -2.613 1.00 0.00 C ATOM 863 C VAL A 69 1.091 9.387 -3.525 1.00 0.00 C ATOM 864 O VAL A 69 2.257 9.065 -3.545 1.00 0.00 O ATOM 865 CB VAL A 69 0.497 8.889 -1.151 1.00 0.00 C ATOM 866 CG1 VAL A 69 -0.255 10.095 -0.586 1.00 0.00 C ATOM 867 CG2 VAL A 69 0.146 7.644 -0.333 1.00 0.00 C ATOM 0 H VAL A 69 1.089 6.823 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.912 9.064 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 69 1.571 9.069 -1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.030 10.247 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.004 10.984 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.328 9.915 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.432 7.800 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.927 7.461 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.683 6.783 -0.732 1.00 0.00 H new ATOM 877 N LEU A 70 0.654 10.328 -4.299 1.00 0.00 N ATOM 878 CA LEU A 70 1.609 11.007 -5.221 1.00 0.00 C ATOM 879 C LEU A 70 2.249 12.181 -4.498 1.00 0.00 C ATOM 880 O LEU A 70 1.601 12.886 -3.760 1.00 0.00 O ATOM 881 CB LEU A 70 0.876 11.560 -6.448 1.00 0.00 C ATOM 882 CG LEU A 70 0.352 10.441 -7.359 1.00 0.00 C ATOM 883 CD1 LEU A 70 1.480 9.944 -8.241 1.00 0.00 C ATOM 884 CD2 LEU A 70 -0.204 9.282 -6.535 1.00 0.00 C ATOM 0 H LEU A 70 -0.310 10.659 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 70 2.358 10.280 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.042 12.182 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.551 12.202 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.454 10.841 -7.975 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.112 9.149 -8.889 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.854 10.766 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.287 9.559 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.569 8.502 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.584 8.876 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.024 9.639 -5.912 1.00 0.00 H new ATOM 896 N ALA A 71 3.509 12.421 -4.713 1.00 0.00 N ATOM 897 CA ALA A 71 4.137 13.582 -4.039 1.00 0.00 C ATOM 898 C ALA A 71 4.902 14.410 -5.054 1.00 0.00 C ATOM 899 O ALA A 71 5.941 14.027 -5.550 1.00 0.00 O ATOM 900 CB ALA A 71 5.088 13.140 -2.945 1.00 0.00 C ATOM 0 H ALA A 71 4.122 11.873 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 71 3.342 14.176 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.531 14.016 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.542 12.562 -2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.877 12.523 -3.376 1.00 0.00 H new ATOM 906 N LEU A 72 4.384 15.554 -5.342 1.00 0.00 N ATOM 907 CA LEU A 72 5.043 16.470 -6.306 1.00 0.00 C ATOM 908 C LEU A 72 5.720 17.596 -5.529 1.00 0.00 C ATOM 909 O LEU A 72 6.469 18.383 -6.072 1.00 0.00 O ATOM 910 CB LEU A 72 3.981 17.082 -7.209 1.00 0.00 C ATOM 911 CG LEU A 72 3.410 16.015 -8.147 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.241 15.303 -7.463 1.00 0.00 C ATOM 913 CD2 LEU A 72 2.915 16.690 -9.428 1.00 0.00 C ATOM 0 H LEU A 72 3.513 15.907 -4.945 1.00 0.00 H new ATOM 0 HA LEU A 72 5.775 15.922 -6.899 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.182 17.511 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.413 17.896 -7.791 1.00 0.00 H new ATOM 0 HG LEU A 72 4.184 15.286 -8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.836 14.544 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.590 14.829 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.463 16.028 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.507 15.937 -10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.139 17.415 -9.181 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.746 17.200 -9.915 1.00 0.00 H new ATOM 925 N GLY A 73 5.429 17.689 -4.265 1.00 0.00 N ATOM 926 CA GLY A 73 6.011 18.774 -3.431 1.00 0.00 C ATOM 927 C GLY A 73 4.877 19.720 -3.041 1.00 0.00 C ATOM 928 O GLY A 73 4.697 20.055 -1.888 1.00 0.00 O ATOM 0 H GLY A 73 4.806 17.053 -3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.486 18.360 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.782 19.310 -3.984 1.00 0.00 H new ATOM 932 N ALA A 74 4.099 20.134 -4.005 1.00 0.00 N ATOM 933 CA ALA A 74 2.953 21.042 -3.715 1.00 0.00 C ATOM 934 C ALA A 74 1.634 20.359 -4.105 1.00 0.00 C ATOM 935 O ALA A 74 0.564 20.884 -3.867 1.00 0.00 O ATOM 936 CB ALA A 74 3.113 22.330 -4.520 1.00 0.00 C ATOM 0 H ALA A 74 4.209 19.880 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 74 2.937 21.272 -2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.276 22.996 -4.310 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.046 22.820 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.131 22.094 -5.584 1.00 0.00 H new ATOM 942 N GLY A 75 1.698 19.200 -4.707 1.00 0.00 N ATOM 943 CA GLY A 75 0.446 18.495 -5.112 1.00 0.00 C ATOM 944 C GLY A 75 0.585 16.995 -4.834 1.00 0.00 C ATOM 945 O GLY A 75 1.669 16.492 -4.618 1.00 0.00 O ATOM 0 H GLY A 75 2.564 18.711 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.404 18.899 -4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.250 18.662 -6.171 1.00 0.00 H new ATOM 949 N SER A 76 -0.509 16.281 -4.827 1.00 0.00 N ATOM 950 CA SER A 76 -0.454 14.816 -4.554 1.00 0.00 C ATOM 951 C SER A 76 -1.614 14.114 -5.268 1.00 0.00 C ATOM 952 O SER A 76 -2.389 14.730 -5.974 1.00 0.00 O ATOM 953 CB SER A 76 -0.577 14.592 -3.048 1.00 0.00 C ATOM 954 OG SER A 76 -1.953 14.550 -2.691 1.00 0.00 O ATOM 0 H SER A 76 -1.443 16.652 -5.000 1.00 0.00 H new ATOM 0 HA SER A 76 0.489 14.409 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.087 13.660 -2.766 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.073 15.393 -2.507 1.00 0.00 H new ATOM 0 HG SER A 76 -2.036 14.405 -1.725 1.00 0.00 H new ATOM 960 N ALA A 77 -1.737 12.829 -5.081 1.00 0.00 N ATOM 961 CA ALA A 77 -2.841 12.071 -5.731 1.00 0.00 C ATOM 962 C ALA A 77 -3.163 10.841 -4.877 1.00 0.00 C ATOM 963 O ALA A 77 -2.328 10.355 -4.139 1.00 0.00 O ATOM 964 CB ALA A 77 -2.406 11.632 -7.131 1.00 0.00 C ATOM 0 H ALA A 77 -1.114 12.268 -4.500 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.726 12.701 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.215 11.077 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.168 12.511 -7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.525 10.995 -7.055 1.00 0.00 H new ATOM 970 N LEU A 78 -4.367 10.335 -4.963 1.00 0.00 N ATOM 971 CA LEU A 78 -4.733 9.141 -4.144 1.00 0.00 C ATOM 972 C LEU A 78 -4.972 7.939 -5.054 1.00 0.00 C ATOM 973 O LEU A 78 -5.770 7.986 -5.967 1.00 0.00 O ATOM 974 CB LEU A 78 -6.006 9.439 -3.351 1.00 0.00 C ATOM 975 CG LEU A 78 -5.664 9.553 -1.865 1.00 0.00 C ATOM 976 CD1 LEU A 78 -5.405 11.018 -1.508 1.00 0.00 C ATOM 977 CD2 LEU A 78 -6.832 9.024 -1.032 1.00 0.00 C ATOM 0 H LEU A 78 -5.109 10.696 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.917 8.914 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.458 10.366 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.739 8.647 -3.507 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.770 8.966 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.161 11.097 -0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.572 11.395 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.297 11.607 -1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.589 9.105 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.726 9.610 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.015 7.979 -1.284 1.00 0.00 H new ATOM 989 N LEU A 79 -4.279 6.860 -4.811 1.00 0.00 N ATOM 990 CA LEU A 79 -4.455 5.655 -5.662 1.00 0.00 C ATOM 991 C LEU A 79 -5.051 4.519 -4.841 1.00 0.00 C ATOM 992 O LEU A 79 -4.906 4.464 -3.635 1.00 0.00 O ATOM 993 CB LEU A 79 -3.088 5.219 -6.186 1.00 0.00 C ATOM 994 CG LEU A 79 -3.035 5.255 -7.717 1.00 0.00 C ATOM 995 CD1 LEU A 79 -2.792 3.841 -8.241 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.344 5.797 -8.294 1.00 0.00 C ATOM 0 H LEU A 79 -3.598 6.763 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.124 5.892 -6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.316 5.872 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.868 4.210 -5.837 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.224 5.915 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.753 3.858 -9.330 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.846 3.466 -7.850 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.603 3.189 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.283 5.813 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.170 5.156 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.513 6.809 -7.925 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.712 3.606 -5.500 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.324 2.455 -4.789 1.00 0.00 C ATOM 1010 C GLY A 80 -6.690 1.369 -5.806 1.00 0.00 C ATOM 1011 O GLY A 80 -7.768 1.370 -6.366 1.00 0.00 O ATOM 0 H GLY A 80 -5.854 3.612 -6.510 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.628 2.058 -4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.214 2.778 -4.248 1.00 0.00 H new ATOM 1015 N THR A 81 -5.799 0.443 -6.055 1.00 0.00 N ATOM 1016 CA THR A 81 -6.099 -0.638 -7.044 1.00 0.00 C ATOM 1017 C THR A 81 -6.352 -1.958 -6.312 1.00 0.00 C ATOM 1018 O THR A 81 -6.217 -2.049 -5.108 1.00 0.00 O ATOM 1019 CB THR A 81 -4.916 -0.816 -8.009 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.222 -2.014 -7.689 1.00 0.00 O ATOM 1021 CG2 THR A 81 -3.956 0.371 -7.899 1.00 0.00 C ATOM 0 H THR A 81 -4.879 0.388 -5.618 1.00 0.00 H new ATOM 0 HA THR A 81 -6.988 -0.356 -7.609 1.00 0.00 H new ATOM 0 HB THR A 81 -5.297 -0.869 -9.029 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.098 -2.547 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.123 0.231 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.484 1.291 -8.151 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.576 0.438 -6.880 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.711 -2.985 -7.036 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.968 -4.310 -6.402 1.00 0.00 C ATOM 1031 C ASP A 82 -6.043 -5.353 -7.035 1.00 0.00 C ATOM 1032 O ASP A 82 -5.514 -5.149 -8.110 1.00 0.00 O ATOM 1033 CB ASP A 82 -8.428 -4.712 -6.626 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.698 -4.853 -8.125 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.981 -3.846 -8.754 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.618 -5.966 -8.619 1.00 0.00 O ATOM 0 H ASP A 82 -6.838 -2.962 -8.048 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.775 -4.250 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.638 -5.653 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.092 -3.962 -6.196 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.826 -6.462 -6.377 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.914 -7.496 -6.947 1.00 0.00 C ATOM 1043 C VAL A 83 -5.424 -8.904 -6.612 1.00 0.00 C ATOM 1044 O VAL A 83 -6.006 -9.135 -5.574 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.519 -7.293 -6.349 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.643 -8.530 -6.587 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.875 -6.071 -7.002 1.00 0.00 C ATOM 0 H VAL A 83 -6.239 -6.695 -5.474 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.878 -7.395 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.609 -7.139 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.656 -8.366 -6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.105 -9.399 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.545 -8.706 -7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.880 -5.917 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.795 -6.233 -8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.489 -5.191 -6.812 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.194 -9.846 -7.492 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.642 -11.247 -7.243 1.00 0.00 C ATOM 1059 C GLN A 84 -4.521 -12.205 -7.660 1.00 0.00 C ATOM 1060 O GLN A 84 -4.349 -12.503 -8.825 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.894 -11.536 -8.073 1.00 0.00 C ATOM 1062 CG GLN A 84 -8.138 -11.118 -7.285 1.00 0.00 C ATOM 1063 CD GLN A 84 -8.984 -10.170 -8.134 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -9.185 -9.027 -7.772 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.493 -10.596 -9.257 1.00 0.00 N ATOM 0 H GLN A 84 -4.711 -9.701 -8.379 1.00 0.00 H new ATOM 0 HA GLN A 84 -5.872 -11.382 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.850 -10.994 -9.018 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.945 -12.597 -8.317 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -8.721 -11.997 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.846 -10.629 -6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.325 -11.555 -9.562 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.059 -9.970 -9.830 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.744 -12.677 -6.720 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.622 -13.596 -7.067 1.00 0.00 C ATOM 1076 C VAL A 85 -3.039 -15.056 -6.870 1.00 0.00 C ATOM 1077 O VAL A 85 -3.717 -15.401 -5.924 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.424 -13.265 -6.179 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.394 -14.398 -6.224 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -0.794 -11.976 -6.695 1.00 0.00 C ATOM 0 H VAL A 85 -3.839 -12.465 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.355 -13.462 -8.115 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.752 -13.144 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.453 -14.145 -5.586 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.853 -15.321 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.048 -14.535 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.065 -11.718 -6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.470 -12.117 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.527 -11.170 -6.652 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.635 -15.913 -7.769 1.00 0.00 N ATOM 1091 CA GLU A 86 -3.002 -17.355 -7.659 1.00 0.00 C ATOM 1092 C GLU A 86 -1.755 -18.179 -7.327 1.00 0.00 C ATOM 1093 O GLU A 86 -0.773 -17.661 -6.837 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.584 -17.826 -8.995 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.497 -16.739 -9.570 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.615 -16.430 -8.572 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.125 -17.364 -7.975 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -5.940 -15.262 -8.420 1.00 0.00 O ATOM 0 H GLU A 86 -2.063 -15.675 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.740 -17.486 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.779 -18.047 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.146 -18.749 -8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.921 -15.837 -9.777 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.922 -17.070 -10.517 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.783 -19.458 -7.591 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.596 -20.310 -7.293 1.00 0.00 C ATOM 1107 C ALA A 87 -0.535 -21.462 -8.302 1.00 0.00 C ATOM 1108 O ALA A 87 -0.471 -22.619 -7.938 1.00 0.00 O ATOM 1109 CB ALA A 87 -0.712 -20.873 -5.873 1.00 0.00 C ATOM 0 H ALA A 87 -2.577 -19.950 -8.000 1.00 0.00 H new ATOM 0 HA ALA A 87 0.312 -19.712 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.156 -21.496 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.757 -20.051 -5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.618 -21.473 -5.793 1.00 0.00 H new