USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=14 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 : no HE2:sc= -22.6! C(o=-27!,f=-24!) USER MOD Set 1.2: A 58 TYR OH : rot 15:sc= -4.06 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4.4!) USER MOD Single : A 19 SER OG : rot 65:sc= 1.23 USER MOD Single : A 21 GLN : amide:sc= -1.73! C(o=-1.7!,f=-7.9!) USER MOD Single : A 26 HIS : no HE2:sc= -15.2! C(o=-15!,f=-13!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -115:sc= 0.479 USER MOD Single : A 44 SER OG : rot 180:sc=-0.00394 USER MOD Single : A 55 SER OG : rot -160:sc= -1.16 USER MOD Single : A 64 TYR OH : rot 171:sc= -1.33 USER MOD Single : A 65 HIS : no HE2:sc= 0.305 K(o=0.3,f=-1.1) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 150:sc= -0.605 USER MOD Single : A 84 GLN : amide:sc= 0.0106 X(o=0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 8 -4.353 9.969 -9.295 1.00 0.00 N ATOM 2 CA ALA A 8 -3.708 9.507 -10.553 1.00 0.00 C ATOM 3 C ALA A 8 -4.372 8.206 -11.004 1.00 0.00 C ATOM 4 O ALA A 8 -4.972 7.499 -10.218 1.00 0.00 O ATOM 5 CB ALA A 8 -2.212 9.288 -10.309 1.00 0.00 C ATOM 0 HA ALA A 8 -3.828 10.258 -11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.739 8.949 -11.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.755 10.224 -9.989 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.076 8.534 -9.533 1.00 0.00 H new ATOM 11 N THR A 9 -4.285 7.891 -12.266 1.00 0.00 N ATOM 12 CA THR A 9 -4.921 6.647 -12.770 1.00 0.00 C ATOM 13 C THR A 9 -4.153 5.444 -12.248 1.00 0.00 C ATOM 14 O THR A 9 -2.956 5.500 -12.026 1.00 0.00 O ATOM 15 CB THR A 9 -4.938 6.643 -14.298 1.00 0.00 C ATOM 16 OG1 THR A 9 -6.030 5.855 -14.754 1.00 0.00 O ATOM 17 CG2 THR A 9 -3.632 6.064 -14.841 1.00 0.00 C ATOM 0 H THR A 9 -3.799 8.445 -12.971 1.00 0.00 H new ATOM 0 HA THR A 9 -5.951 6.599 -12.416 1.00 0.00 H new ATOM 0 HB THR A 9 -5.045 7.667 -14.655 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.045 5.852 -15.734 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.658 6.067 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.794 6.670 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.511 5.041 -14.484 1.00 0.00 H new ATOM 25 N LEU A 10 -4.859 4.369 -12.039 1.00 0.00 N ATOM 26 CA LEU A 10 -4.250 3.124 -11.499 1.00 0.00 C ATOM 27 C LEU A 10 -3.658 2.292 -12.638 1.00 0.00 C ATOM 28 O LEU A 10 -4.376 1.627 -13.356 1.00 0.00 O ATOM 29 CB LEU A 10 -5.356 2.286 -10.836 1.00 0.00 C ATOM 30 CG LEU A 10 -5.943 3.000 -9.611 1.00 0.00 C ATOM 31 CD1 LEU A 10 -6.654 4.296 -10.019 1.00 0.00 C ATOM 32 CD2 LEU A 10 -6.954 2.076 -8.931 1.00 0.00 C ATOM 0 H LEU A 10 -5.860 4.301 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.469 3.389 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.148 2.090 -11.559 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.951 1.319 -10.536 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.128 3.246 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.061 4.782 -9.132 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.943 4.964 -10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.465 4.064 -10.710 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.376 2.577 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.753 1.833 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.455 1.159 -8.617 1.00 0.00 H new ATOM 44 N VAL A 11 -2.364 2.290 -12.802 1.00 0.00 N ATOM 45 CA VAL A 11 -1.776 1.459 -13.886 1.00 0.00 C ATOM 46 C VAL A 11 -0.877 0.395 -13.259 1.00 0.00 C ATOM 47 O VAL A 11 0.211 0.680 -12.814 1.00 0.00 O ATOM 48 CB VAL A 11 -0.962 2.329 -14.837 1.00 0.00 C ATOM 49 CG1 VAL A 11 -0.692 1.538 -16.119 1.00 0.00 C ATOM 50 CG2 VAL A 11 -1.757 3.592 -15.177 1.00 0.00 C ATOM 0 H VAL A 11 -1.698 2.820 -12.241 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.576 0.983 -14.453 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.019 2.611 -14.368 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.110 2.150 -16.808 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.134 0.633 -15.878 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.639 1.267 -16.586 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.176 4.215 -15.857 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.697 3.313 -15.653 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.965 4.148 -14.263 1.00 0.00 H new ATOM 60 N GLY A 12 -1.323 -0.830 -13.214 1.00 0.00 N ATOM 61 CA GLY A 12 -0.487 -1.907 -12.606 1.00 0.00 C ATOM 62 C GLY A 12 -0.154 -2.962 -13.667 1.00 0.00 C ATOM 63 O GLY A 12 -0.708 -4.043 -13.657 1.00 0.00 O ATOM 0 H GLY A 12 -2.229 -1.133 -13.571 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.431 -1.483 -12.200 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.020 -2.369 -11.775 1.00 0.00 H new ATOM 67 N PRO A 13 0.740 -2.609 -14.556 1.00 0.00 N ATOM 68 CA PRO A 13 1.174 -3.498 -15.654 1.00 0.00 C ATOM 69 C PRO A 13 2.076 -4.642 -15.162 1.00 0.00 C ATOM 70 O PRO A 13 2.791 -4.526 -14.176 1.00 0.00 O ATOM 71 CB PRO A 13 1.946 -2.562 -16.589 1.00 0.00 C ATOM 72 CG PRO A 13 2.390 -1.361 -15.726 1.00 0.00 C ATOM 73 CD PRO A 13 1.400 -1.288 -14.552 1.00 0.00 C ATOM 0 HA PRO A 13 0.330 -3.994 -16.133 1.00 0.00 H new ATOM 0 HB2 PRO A 13 2.808 -3.069 -17.023 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.318 -2.235 -17.418 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.410 -1.496 -15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.375 -0.438 -16.306 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.913 -1.101 -13.609 1.00 0.00 H new ATOM 0 HD3 PRO A 13 0.679 -0.482 -14.688 1.00 0.00 H new ATOM 81 N HIS A 14 2.038 -5.741 -15.878 1.00 0.00 N ATOM 82 CA HIS A 14 2.867 -6.939 -15.543 1.00 0.00 C ATOM 83 C HIS A 14 2.234 -8.170 -16.184 1.00 0.00 C ATOM 84 O HIS A 14 2.908 -9.051 -16.683 1.00 0.00 O ATOM 85 CB HIS A 14 2.932 -7.159 -14.029 1.00 0.00 C ATOM 86 CG HIS A 14 3.592 -8.480 -13.757 1.00 0.00 C ATOM 87 ND1 HIS A 14 2.885 -9.670 -13.738 1.00 0.00 N ATOM 88 CD2 HIS A 14 4.899 -8.815 -13.507 1.00 0.00 C ATOM 89 CE1 HIS A 14 3.762 -10.657 -13.487 1.00 0.00 C ATOM 90 NE2 HIS A 14 5.004 -10.191 -13.338 1.00 0.00 N ATOM 0 H HIS A 14 1.450 -5.858 -16.703 1.00 0.00 H new ATOM 0 HA HIS A 14 3.877 -6.776 -15.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.492 -6.353 -13.555 1.00 0.00 H new ATOM 0 HB3 HIS A 14 1.929 -7.144 -13.603 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.721 -8.116 -13.450 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.494 -11.701 -13.415 1.00 0.00 H new ATOM 0 HE2 HIS A 14 5.848 -10.729 -13.142 1.00 0.00 H new ATOM 98 N GLY A 15 0.939 -8.235 -16.153 1.00 0.00 N ATOM 99 CA GLY A 15 0.220 -9.404 -16.732 1.00 0.00 C ATOM 100 C GLY A 15 -0.469 -10.149 -15.591 1.00 0.00 C ATOM 101 O GLY A 15 -1.038 -9.533 -14.712 1.00 0.00 O ATOM 0 H GLY A 15 0.336 -7.520 -15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.513 -9.074 -17.468 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.918 -10.062 -17.250 1.00 0.00 H new ATOM 105 N PRO A 16 -0.385 -11.450 -15.621 1.00 0.00 N ATOM 106 CA PRO A 16 -0.979 -12.295 -14.579 1.00 0.00 C ATOM 107 C PRO A 16 -0.081 -12.287 -13.341 1.00 0.00 C ATOM 108 O PRO A 16 1.123 -12.165 -13.440 1.00 0.00 O ATOM 109 CB PRO A 16 -1.019 -13.682 -15.217 1.00 0.00 C ATOM 110 CG PRO A 16 0.049 -13.674 -16.338 1.00 0.00 C ATOM 111 CD PRO A 16 0.305 -12.195 -16.690 1.00 0.00 C ATOM 0 HA PRO A 16 -1.964 -11.961 -14.254 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.804 -14.456 -14.480 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.008 -13.895 -15.623 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.967 -14.157 -16.003 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.301 -14.225 -17.211 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.371 -11.968 -16.711 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.093 -11.944 -17.673 1.00 0.00 H new ATOM 119 N LEU A 17 -0.651 -12.409 -12.177 1.00 0.00 N ATOM 120 CA LEU A 17 0.182 -12.399 -10.943 1.00 0.00 C ATOM 121 C LEU A 17 0.148 -13.781 -10.295 1.00 0.00 C ATOM 122 O LEU A 17 -0.805 -14.149 -9.642 1.00 0.00 O ATOM 123 CB LEU A 17 -0.369 -11.364 -9.956 1.00 0.00 C ATOM 124 CG LEU A 17 0.349 -10.024 -10.150 1.00 0.00 C ATOM 125 CD1 LEU A 17 1.836 -10.181 -9.827 1.00 0.00 C ATOM 126 CD2 LEU A 17 0.192 -9.566 -11.600 1.00 0.00 C ATOM 0 H LEU A 17 -1.654 -12.515 -12.026 1.00 0.00 H new ATOM 0 HA LEU A 17 1.208 -12.141 -11.204 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.441 -11.238 -10.109 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.232 -11.715 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.090 -9.283 -9.482 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.342 -9.225 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.951 -10.505 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.276 -10.925 -10.491 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.703 -8.613 -11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.628 -10.311 -12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.866 -9.447 -11.831 1.00 0.00 H new ATOM 138 N ALA A 18 1.185 -14.549 -10.465 1.00 0.00 N ATOM 139 CA ALA A 18 1.207 -15.901 -9.847 1.00 0.00 C ATOM 140 C ALA A 18 1.785 -15.790 -8.438 1.00 0.00 C ATOM 141 O ALA A 18 2.379 -14.791 -8.082 1.00 0.00 O ATOM 142 CB ALA A 18 2.074 -16.839 -10.687 1.00 0.00 C ATOM 0 H ALA A 18 2.015 -14.301 -11.003 1.00 0.00 H new ATOM 0 HA ALA A 18 0.194 -16.302 -9.801 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.087 -17.829 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.663 -16.910 -11.694 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.090 -16.448 -10.736 1.00 0.00 H new ATOM 148 N SER A 19 1.614 -16.800 -7.632 1.00 0.00 N ATOM 149 CA SER A 19 2.154 -16.743 -6.247 1.00 0.00 C ATOM 150 C SER A 19 3.658 -16.473 -6.300 1.00 0.00 C ATOM 151 O SER A 19 4.411 -17.213 -6.903 1.00 0.00 O ATOM 152 CB SER A 19 1.904 -18.075 -5.543 1.00 0.00 C ATOM 153 OG SER A 19 2.810 -18.203 -4.457 1.00 0.00 O ATOM 0 H SER A 19 1.124 -17.662 -7.873 1.00 0.00 H new ATOM 0 HA SER A 19 1.656 -15.944 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.876 -18.123 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.036 -18.901 -6.242 1.00 0.00 H new ATOM 0 HG SER A 19 2.617 -17.514 -3.787 1.00 0.00 H new ATOM 159 N GLY A 20 4.099 -15.418 -5.679 1.00 0.00 N ATOM 160 CA GLY A 20 5.552 -15.096 -5.698 1.00 0.00 C ATOM 161 C GLY A 20 5.881 -14.347 -6.988 1.00 0.00 C ATOM 162 O GLY A 20 6.824 -14.669 -7.681 1.00 0.00 O ATOM 0 H GLY A 20 3.516 -14.763 -5.158 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.814 -14.487 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.141 -16.011 -5.634 1.00 0.00 H new ATOM 166 N GLN A 21 5.101 -13.354 -7.321 1.00 0.00 N ATOM 167 CA GLN A 21 5.363 -12.592 -8.578 1.00 0.00 C ATOM 168 C GLN A 21 5.616 -11.110 -8.269 1.00 0.00 C ATOM 169 O GLN A 21 5.104 -10.559 -7.308 1.00 0.00 O ATOM 170 CB GLN A 21 4.153 -12.716 -9.504 1.00 0.00 C ATOM 171 CG GLN A 21 4.567 -12.372 -10.935 1.00 0.00 C ATOM 172 CD GLN A 21 4.621 -13.647 -11.779 1.00 0.00 C ATOM 173 OE1 GLN A 21 4.082 -14.666 -11.399 1.00 0.00 O ATOM 174 NE2 GLN A 21 5.253 -13.630 -12.921 1.00 0.00 N ATOM 0 H GLN A 21 4.296 -13.038 -6.780 1.00 0.00 H new ATOM 0 HA GLN A 21 6.249 -13.005 -9.061 1.00 0.00 H new ATOM 0 HB2 GLN A 21 3.753 -13.729 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.359 -12.047 -9.173 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.858 -11.667 -11.369 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.542 -11.884 -10.934 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.706 -12.774 -13.240 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.294 -14.473 -13.494 1.00 0.00 H new ATOM 183 N LEU A 22 6.403 -10.464 -9.095 1.00 0.00 N ATOM 184 CA LEU A 22 6.709 -9.018 -8.891 1.00 0.00 C ATOM 185 C LEU A 22 5.967 -8.197 -9.948 1.00 0.00 C ATOM 186 O LEU A 22 6.436 -8.031 -11.056 1.00 0.00 O ATOM 187 CB LEU A 22 8.222 -8.796 -9.047 1.00 0.00 C ATOM 188 CG LEU A 22 8.639 -7.429 -8.476 1.00 0.00 C ATOM 189 CD1 LEU A 22 8.085 -6.291 -9.345 1.00 0.00 C ATOM 190 CD2 LEU A 22 8.107 -7.276 -7.050 1.00 0.00 C ATOM 0 H LEU A 22 6.850 -10.884 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 22 6.393 -8.709 -7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.765 -9.590 -8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.495 -8.853 -10.101 1.00 0.00 H new ATOM 0 HG LEU A 22 9.728 -7.377 -8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.390 -5.332 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.475 -6.385 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.997 -6.347 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.406 -6.306 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.019 -7.345 -7.058 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.516 -8.067 -6.422 1.00 0.00 H new ATOM 202 N ALA A 23 4.825 -7.668 -9.613 1.00 0.00 N ATOM 203 CA ALA A 23 4.076 -6.841 -10.600 1.00 0.00 C ATOM 204 C ALA A 23 4.711 -5.453 -10.629 1.00 0.00 C ATOM 205 O ALA A 23 5.336 -5.047 -9.678 1.00 0.00 O ATOM 206 CB ALA A 23 2.613 -6.725 -10.170 1.00 0.00 C ATOM 0 H ALA A 23 4.378 -7.771 -8.702 1.00 0.00 H new ATOM 0 HA ALA A 23 4.116 -7.300 -11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.068 -6.119 -10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.168 -7.719 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.558 -6.254 -9.189 1.00 0.00 H new ATOM 212 N ALA A 24 4.563 -4.710 -11.690 1.00 0.00 N ATOM 213 CA ALA A 24 5.178 -3.355 -11.705 1.00 0.00 C ATOM 214 C ALA A 24 4.069 -2.335 -11.917 1.00 0.00 C ATOM 215 O ALA A 24 3.376 -2.362 -12.905 1.00 0.00 O ATOM 216 CB ALA A 24 6.222 -3.279 -12.816 1.00 0.00 C ATOM 0 H ALA A 24 4.053 -4.976 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 24 5.682 -3.145 -10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.671 -2.286 -12.826 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.996 -4.026 -12.640 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.745 -3.471 -13.777 1.00 0.00 H new ATOM 222 N PHE A 25 3.863 -1.469 -10.965 1.00 0.00 N ATOM 223 CA PHE A 25 2.752 -0.485 -11.075 1.00 0.00 C ATOM 224 C PHE A 25 3.247 0.903 -11.485 1.00 0.00 C ATOM 225 O PHE A 25 4.427 1.166 -11.602 1.00 0.00 O ATOM 226 CB PHE A 25 2.082 -0.349 -9.712 1.00 0.00 C ATOM 227 CG PHE A 25 1.269 -1.573 -9.383 1.00 0.00 C ATOM 228 CD1 PHE A 25 1.864 -2.844 -9.342 1.00 0.00 C ATOM 229 CD2 PHE A 25 -0.096 -1.425 -9.105 1.00 0.00 C ATOM 230 CE1 PHE A 25 1.086 -3.964 -9.023 1.00 0.00 C ATOM 231 CE2 PHE A 25 -0.868 -2.547 -8.787 1.00 0.00 C ATOM 232 CZ PHE A 25 -0.278 -3.815 -8.746 1.00 0.00 C ATOM 0 H PHE A 25 4.419 -1.400 -10.112 1.00 0.00 H new ATOM 0 HA PHE A 25 2.064 -0.851 -11.838 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.840 -0.195 -8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.439 0.531 -9.706 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.917 -2.957 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.551 -0.446 -9.136 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.539 -4.944 -8.991 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.921 -2.435 -8.573 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.876 -4.680 -8.500 1.00 0.00 H new ATOM 242 N HIS A 26 2.309 1.794 -11.667 1.00 0.00 N ATOM 243 CA HIS A 26 2.614 3.198 -12.035 1.00 0.00 C ATOM 244 C HIS A 26 1.289 3.978 -12.021 1.00 0.00 C ATOM 245 O HIS A 26 0.245 3.454 -12.368 1.00 0.00 O ATOM 246 CB HIS A 26 3.304 3.254 -13.413 1.00 0.00 C ATOM 247 CG HIS A 26 2.353 3.663 -14.506 1.00 0.00 C ATOM 248 ND1 HIS A 26 2.145 2.881 -15.631 1.00 0.00 N ATOM 249 CD2 HIS A 26 1.599 4.790 -14.692 1.00 0.00 C ATOM 250 CE1 HIS A 26 1.298 3.548 -16.436 1.00 0.00 C ATOM 251 NE2 HIS A 26 0.936 4.720 -15.911 1.00 0.00 N ATOM 0 H HIS A 26 1.313 1.594 -11.571 1.00 0.00 H new ATOM 0 HA HIS A 26 3.307 3.648 -11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.135 3.958 -13.374 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.726 2.276 -13.647 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.558 1.967 -15.815 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.530 5.612 -13.995 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.953 3.180 -17.391 1.00 0.00 H new ATOM 259 N ILE A 27 1.311 5.211 -11.596 1.00 0.00 N ATOM 260 CA ILE A 27 0.049 6.004 -11.543 1.00 0.00 C ATOM 261 C ILE A 27 0.131 7.113 -12.595 1.00 0.00 C ATOM 262 O ILE A 27 1.206 7.521 -12.980 1.00 0.00 O ATOM 263 CB ILE A 27 -0.145 6.613 -10.143 1.00 0.00 C ATOM 264 CG1 ILE A 27 0.748 5.905 -9.114 1.00 0.00 C ATOM 265 CG2 ILE A 27 -1.603 6.438 -9.715 1.00 0.00 C ATOM 266 CD1 ILE A 27 -0.090 4.891 -8.330 1.00 0.00 C ATOM 0 H ILE A 27 2.147 5.704 -11.283 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.803 5.356 -11.749 1.00 0.00 H new ATOM 0 HB ILE A 27 0.122 7.669 -10.187 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.573 5.401 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.188 6.634 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.745 6.868 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.255 6.944 -10.427 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.850 5.377 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.541 4.386 -7.598 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.900 5.408 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.508 4.156 -9.017 1.00 0.00 H new ATOM 278 N ALA A 28 -0.982 7.585 -13.100 1.00 0.00 N ATOM 279 CA ALA A 28 -0.893 8.639 -14.165 1.00 0.00 C ATOM 280 C ALA A 28 -1.815 9.838 -13.894 1.00 0.00 C ATOM 281 O ALA A 28 -3.013 9.703 -13.788 1.00 0.00 O ATOM 282 CB ALA A 28 -1.288 8.021 -15.502 1.00 0.00 C ATOM 0 H ALA A 28 -1.924 7.299 -12.833 1.00 0.00 H new ATOM 0 HA ALA A 28 0.134 9.005 -14.175 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.227 8.777 -16.285 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.611 7.200 -15.738 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.309 7.643 -15.441 1.00 0.00 H new ATOM 288 N ALA A 29 -1.256 11.021 -13.837 1.00 0.00 N ATOM 289 CA ALA A 29 -2.086 12.250 -13.626 1.00 0.00 C ATOM 290 C ALA A 29 -1.165 13.465 -13.434 1.00 0.00 C ATOM 291 O ALA A 29 -1.105 14.328 -14.291 1.00 0.00 O ATOM 292 CB ALA A 29 -2.996 12.084 -12.409 1.00 0.00 C ATOM 0 H ALA A 29 -0.254 11.191 -13.928 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.714 12.406 -14.503 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.590 12.988 -12.273 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.659 11.233 -12.564 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.388 11.913 -11.521 1.00 0.00 H new ATOM 298 N PRO A 30 -0.458 13.502 -12.330 1.00 0.00 N ATOM 299 CA PRO A 30 0.467 14.608 -12.039 1.00 0.00 C ATOM 300 C PRO A 30 1.735 14.445 -12.874 1.00 0.00 C ATOM 301 O PRO A 30 2.746 13.990 -12.393 1.00 0.00 O ATOM 302 CB PRO A 30 0.758 14.456 -10.547 1.00 0.00 C ATOM 303 CG PRO A 30 0.449 12.985 -10.192 1.00 0.00 C ATOM 304 CD PRO A 30 -0.501 12.461 -11.280 1.00 0.00 C ATOM 0 HA PRO A 30 0.064 15.592 -12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.798 14.699 -10.327 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.141 15.136 -9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.364 12.394 -10.159 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.012 12.913 -9.207 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.173 11.495 -11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.512 12.325 -10.895 1.00 0.00 H new ATOM 312 N LEU A 31 1.666 14.802 -14.128 1.00 0.00 N ATOM 313 CA LEU A 31 2.846 14.667 -15.043 1.00 0.00 C ATOM 314 C LEU A 31 4.181 14.880 -14.303 1.00 0.00 C ATOM 315 O LEU A 31 5.049 14.031 -14.365 1.00 0.00 O ATOM 316 CB LEU A 31 2.719 15.686 -16.178 1.00 0.00 C ATOM 317 CG LEU A 31 2.293 14.969 -17.460 1.00 0.00 C ATOM 318 CD1 LEU A 31 0.828 15.291 -17.764 1.00 0.00 C ATOM 319 CD2 LEU A 31 3.171 15.440 -18.620 1.00 0.00 C ATOM 0 H LEU A 31 0.830 15.188 -14.568 1.00 0.00 H new ATOM 0 HA LEU A 31 2.850 13.652 -15.439 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.987 16.450 -15.915 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.670 16.195 -16.332 1.00 0.00 H new ATOM 0 HG LEU A 31 2.407 13.893 -17.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.525 14.780 -18.678 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.203 14.956 -16.936 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.711 16.367 -17.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.869 14.930 -19.535 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.056 16.516 -18.749 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.214 15.210 -18.404 1.00 0.00 H new ATOM 331 N PRO A 32 4.322 16.003 -13.638 1.00 0.00 N ATOM 332 CA PRO A 32 5.560 16.335 -12.900 1.00 0.00 C ATOM 333 C PRO A 32 5.632 15.619 -11.538 1.00 0.00 C ATOM 334 O PRO A 32 5.701 16.253 -10.505 1.00 0.00 O ATOM 335 CB PRO A 32 5.456 17.851 -12.703 1.00 0.00 C ATOM 336 CG PRO A 32 3.955 18.208 -12.814 1.00 0.00 C ATOM 337 CD PRO A 32 3.278 17.047 -13.563 1.00 0.00 C ATOM 0 HA PRO A 32 6.456 16.022 -13.436 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.853 18.144 -11.731 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.037 18.381 -13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.515 18.340 -11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.819 19.147 -13.351 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.396 16.690 -13.031 1.00 0.00 H new ATOM 0 HD3 PRO A 32 2.949 17.352 -14.556 1.00 0.00 H new ATOM 345 N VAL A 33 5.638 14.307 -11.518 1.00 0.00 N ATOM 346 CA VAL A 33 5.726 13.587 -10.207 1.00 0.00 C ATOM 347 C VAL A 33 7.195 13.437 -9.802 1.00 0.00 C ATOM 348 O VAL A 33 8.077 13.376 -10.634 1.00 0.00 O ATOM 349 CB VAL A 33 5.112 12.189 -10.317 1.00 0.00 C ATOM 350 CG1 VAL A 33 5.323 11.443 -8.999 1.00 0.00 C ATOM 351 CG2 VAL A 33 3.616 12.298 -10.585 1.00 0.00 C ATOM 0 H VAL A 33 5.586 13.709 -12.343 1.00 0.00 H new ATOM 0 HA VAL A 33 5.181 14.166 -9.462 1.00 0.00 H new ATOM 0 HB VAL A 33 5.590 11.652 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.888 10.446 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.391 11.359 -8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.841 11.991 -8.189 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.186 11.299 -10.662 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.138 12.836 -9.767 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.452 12.836 -11.518 1.00 0.00 H new ATOM 361 N THR A 34 7.456 13.364 -8.525 1.00 0.00 N ATOM 362 CA THR A 34 8.865 13.201 -8.055 1.00 0.00 C ATOM 363 C THR A 34 8.965 11.987 -7.130 1.00 0.00 C ATOM 364 O THR A 34 9.967 11.300 -7.096 1.00 0.00 O ATOM 365 CB THR A 34 9.316 14.463 -7.310 1.00 0.00 C ATOM 366 OG1 THR A 34 10.540 14.201 -6.637 1.00 0.00 O ATOM 367 CG2 THR A 34 8.252 14.878 -6.290 1.00 0.00 C ATOM 0 H THR A 34 6.755 13.410 -7.785 1.00 0.00 H new ATOM 0 HA THR A 34 9.513 13.047 -8.918 1.00 0.00 H new ATOM 0 HB THR A 34 9.456 15.271 -8.028 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.831 15.007 -6.161 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.581 15.775 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.314 15.083 -6.806 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.103 14.072 -5.571 1.00 0.00 H new ATOM 375 N ALA A 35 7.936 11.719 -6.386 1.00 0.00 N ATOM 376 CA ALA A 35 7.956 10.552 -5.463 1.00 0.00 C ATOM 377 C ALA A 35 6.521 10.132 -5.149 1.00 0.00 C ATOM 378 O ALA A 35 5.643 10.955 -4.966 1.00 0.00 O ATOM 379 CB ALA A 35 8.667 10.943 -4.168 1.00 0.00 C ATOM 0 H ALA A 35 7.072 12.262 -6.376 1.00 0.00 H new ATOM 0 HA ALA A 35 8.485 9.722 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.683 10.090 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.689 11.248 -4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.136 11.771 -3.697 1.00 0.00 H new ATOM 385 N THR A 36 6.283 8.854 -5.079 1.00 0.00 N ATOM 386 CA THR A 36 4.912 8.363 -4.770 1.00 0.00 C ATOM 387 C THR A 36 4.995 7.388 -3.602 1.00 0.00 C ATOM 388 O THR A 36 5.987 6.713 -3.417 1.00 0.00 O ATOM 389 CB THR A 36 4.334 7.631 -5.981 1.00 0.00 C ATOM 390 OG1 THR A 36 3.206 6.869 -5.572 1.00 0.00 O ATOM 391 CG2 THR A 36 5.391 6.696 -6.562 1.00 0.00 C ATOM 0 H THR A 36 6.981 8.125 -5.223 1.00 0.00 H new ATOM 0 HA THR A 36 4.272 9.209 -4.520 1.00 0.00 H new ATOM 0 HB THR A 36 4.034 8.356 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.396 5.915 -5.689 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.980 6.174 -7.426 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.261 7.277 -6.870 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.689 5.969 -5.806 1.00 0.00 H new ATOM 399 N ARG A 37 3.962 7.295 -2.820 1.00 0.00 N ATOM 400 CA ARG A 37 3.993 6.346 -1.680 1.00 0.00 C ATOM 401 C ARG A 37 2.910 5.293 -1.888 1.00 0.00 C ATOM 402 O ARG A 37 1.740 5.542 -1.687 1.00 0.00 O ATOM 403 CB ARG A 37 3.747 7.094 -0.368 1.00 0.00 C ATOM 404 CG ARG A 37 4.920 6.854 0.579 1.00 0.00 C ATOM 405 CD ARG A 37 5.981 7.930 0.355 1.00 0.00 C ATOM 406 NE ARG A 37 5.855 8.972 1.411 1.00 0.00 N ATOM 407 CZ ARG A 37 6.700 9.965 1.457 1.00 0.00 C ATOM 408 NH1 ARG A 37 7.976 9.751 1.275 1.00 0.00 N ATOM 409 NH2 ARG A 37 6.269 11.176 1.684 1.00 0.00 N ATOM 0 H ARG A 37 3.101 7.832 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 37 4.970 5.866 -1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.633 8.161 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.819 6.752 0.090 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.577 6.876 1.613 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.346 5.866 0.405 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.976 7.487 0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.858 8.378 -0.631 1.00 0.00 H new ATOM 0 HE ARG A 37 5.106 8.909 2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.314 8.805 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.634 10.530 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.273 11.345 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.928 11.954 1.720 1.00 0.00 H new ATOM 423 N TRP A 38 3.290 4.115 -2.287 1.00 0.00 N ATOM 424 CA TRP A 38 2.277 3.047 -2.507 1.00 0.00 C ATOM 425 C TRP A 38 2.060 2.282 -1.210 1.00 0.00 C ATOM 426 O TRP A 38 2.684 2.541 -0.199 1.00 0.00 O ATOM 427 CB TRP A 38 2.765 2.040 -3.548 1.00 0.00 C ATOM 428 CG TRP A 38 3.026 2.690 -4.860 1.00 0.00 C ATOM 429 CD1 TRP A 38 4.002 3.589 -5.111 1.00 0.00 C ATOM 430 CD2 TRP A 38 2.330 2.475 -6.116 1.00 0.00 C ATOM 431 NE1 TRP A 38 3.954 3.931 -6.450 1.00 0.00 N ATOM 432 CE2 TRP A 38 2.939 3.273 -7.110 1.00 0.00 C ATOM 433 CE3 TRP A 38 1.241 1.670 -6.485 1.00 0.00 C ATOM 434 CZ2 TRP A 38 2.486 3.272 -8.425 1.00 0.00 C ATOM 435 CZ3 TRP A 38 0.778 1.668 -7.806 1.00 0.00 C ATOM 436 CH2 TRP A 38 1.401 2.467 -8.777 1.00 0.00 C ATOM 0 H TRP A 38 4.256 3.844 -2.470 1.00 0.00 H new ATOM 0 HA TRP A 38 1.358 3.523 -2.849 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.677 1.560 -3.191 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.019 1.255 -3.673 1.00 0.00 H new ATOM 0 HD1 TRP A 38 4.703 3.976 -4.387 1.00 0.00 H new ATOM 0 HE1 TRP A 38 4.592 4.590 -6.895 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.758 1.049 -5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 2.970 3.889 -9.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.063 1.048 -8.079 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.042 2.459 -9.795 1.00 0.00 H new ATOM 447 N ASP A 39 1.203 1.315 -1.258 1.00 0.00 N ATOM 448 CA ASP A 39 0.945 0.468 -0.076 1.00 0.00 C ATOM 449 C ASP A 39 0.541 -0.900 -0.603 1.00 0.00 C ATOM 450 O ASP A 39 -0.567 -1.093 -1.063 1.00 0.00 O ATOM 451 CB ASP A 39 -0.178 1.064 0.773 1.00 0.00 C ATOM 452 CG ASP A 39 0.402 1.570 2.093 1.00 0.00 C ATOM 453 OD1 ASP A 39 0.627 0.753 2.971 1.00 0.00 O ATOM 454 OD2 ASP A 39 0.617 2.766 2.203 1.00 0.00 O ATOM 0 H ASP A 39 0.658 1.071 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 39 1.829 0.400 0.558 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.660 1.882 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.944 0.312 0.963 1.00 0.00 H new ATOM 459 N PHE A 40 1.435 -1.844 -0.586 1.00 0.00 N ATOM 460 CA PHE A 40 1.080 -3.178 -1.139 1.00 0.00 C ATOM 461 C PHE A 40 0.272 -3.968 -0.116 1.00 0.00 C ATOM 462 O PHE A 40 -0.863 -4.327 -0.351 1.00 0.00 O ATOM 463 CB PHE A 40 2.335 -3.980 -1.497 1.00 0.00 C ATOM 464 CG PHE A 40 3.348 -3.144 -2.249 1.00 0.00 C ATOM 465 CD1 PHE A 40 2.965 -1.978 -2.925 1.00 0.00 C ATOM 466 CD2 PHE A 40 4.683 -3.566 -2.290 1.00 0.00 C ATOM 467 CE1 PHE A 40 3.917 -1.241 -3.639 1.00 0.00 C ATOM 468 CE2 PHE A 40 5.631 -2.825 -2.997 1.00 0.00 C ATOM 469 CZ PHE A 40 5.249 -1.664 -3.672 1.00 0.00 C ATOM 0 H PHE A 40 2.383 -1.754 -0.219 1.00 0.00 H new ATOM 0 HA PHE A 40 0.491 -3.016 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.790 -4.367 -0.585 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.054 -4.841 -2.103 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.937 -1.648 -2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.979 -4.467 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.622 -0.345 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.661 -3.150 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.983 -1.092 -4.220 1.00 0.00 H new ATOM 479 N GLY A 41 0.853 -4.261 1.011 1.00 0.00 N ATOM 480 CA GLY A 41 0.120 -5.049 2.038 1.00 0.00 C ATOM 481 C GLY A 41 0.449 -6.536 1.861 1.00 0.00 C ATOM 482 O GLY A 41 -0.230 -7.398 2.384 1.00 0.00 O ATOM 0 H GLY A 41 1.803 -3.990 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.402 -4.718 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.953 -4.887 1.940 1.00 0.00 H new ATOM 486 N ASP A 42 1.502 -6.838 1.147 1.00 0.00 N ATOM 487 CA ASP A 42 1.901 -8.257 0.954 1.00 0.00 C ATOM 488 C ASP A 42 3.123 -8.498 1.836 1.00 0.00 C ATOM 489 O ASP A 42 3.014 -8.596 3.042 1.00 0.00 O ATOM 490 CB ASP A 42 2.234 -8.515 -0.528 1.00 0.00 C ATOM 491 CG ASP A 42 2.879 -7.273 -1.171 1.00 0.00 C ATOM 492 OD1 ASP A 42 3.672 -6.618 -0.511 1.00 0.00 O ATOM 493 OD2 ASP A 42 2.579 -7.005 -2.321 1.00 0.00 O ATOM 0 H ASP A 42 2.105 -6.155 0.688 1.00 0.00 H new ATOM 0 HA ASP A 42 1.093 -8.936 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.911 -9.365 -0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.325 -8.779 -1.069 1.00 0.00 H new ATOM 498 N GLY A 43 4.286 -8.535 1.262 1.00 0.00 N ATOM 499 CA GLY A 43 5.503 -8.699 2.082 1.00 0.00 C ATOM 500 C GLY A 43 5.935 -7.311 2.565 1.00 0.00 C ATOM 501 O GLY A 43 6.687 -7.175 3.509 1.00 0.00 O ATOM 0 H GLY A 43 4.444 -8.458 0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.306 -9.354 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.297 -9.164 1.498 1.00 0.00 H new ATOM 505 N SER A 44 5.452 -6.275 1.919 1.00 0.00 N ATOM 506 CA SER A 44 5.814 -4.890 2.333 1.00 0.00 C ATOM 507 C SER A 44 4.549 -4.028 2.349 1.00 0.00 C ATOM 508 O SER A 44 3.820 -3.956 1.377 1.00 0.00 O ATOM 509 CB SER A 44 6.818 -4.307 1.337 1.00 0.00 C ATOM 510 OG SER A 44 7.811 -5.281 1.048 1.00 0.00 O ATOM 0 H SER A 44 4.820 -6.334 1.120 1.00 0.00 H new ATOM 0 HA SER A 44 6.261 -4.906 3.327 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.308 -4.008 0.421 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.280 -3.411 1.751 1.00 0.00 H new ATOM 0 HG SER A 44 8.455 -4.911 0.409 1.00 0.00 H new ATOM 516 N ALA A 45 4.274 -3.377 3.445 1.00 0.00 N ATOM 517 CA ALA A 45 3.051 -2.529 3.519 1.00 0.00 C ATOM 518 C ALA A 45 3.316 -1.183 2.845 1.00 0.00 C ATOM 519 O ALA A 45 3.028 -0.995 1.675 1.00 0.00 O ATOM 520 CB ALA A 45 2.670 -2.313 4.985 1.00 0.00 C ATOM 0 H ALA A 45 4.842 -3.395 4.292 1.00 0.00 H new ATOM 0 HA ALA A 45 2.230 -3.028 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.775 -1.693 5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.474 -3.276 5.456 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.489 -1.816 5.504 1.00 0.00 H new ATOM 526 N GLU A 46 3.859 -0.254 3.582 1.00 0.00 N ATOM 527 CA GLU A 46 4.157 1.097 3.019 1.00 0.00 C ATOM 528 C GLU A 46 5.089 0.959 1.816 1.00 0.00 C ATOM 529 O GLU A 46 5.838 0.009 1.705 1.00 0.00 O ATOM 530 CB GLU A 46 4.836 1.957 4.089 1.00 0.00 C ATOM 531 CG GLU A 46 6.123 1.271 4.557 1.00 0.00 C ATOM 532 CD GLU A 46 7.155 2.329 4.947 1.00 0.00 C ATOM 533 OE1 GLU A 46 7.359 3.247 4.168 1.00 0.00 O ATOM 534 OE2 GLU A 46 7.728 2.203 6.018 1.00 0.00 O ATOM 0 H GLU A 46 4.113 -0.373 4.563 1.00 0.00 H new ATOM 0 HA GLU A 46 3.226 1.569 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.063 2.944 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.162 2.104 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.913 0.622 5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.519 0.637 3.763 1.00 0.00 H new ATOM 541 N VAL A 47 5.032 1.889 0.900 1.00 0.00 N ATOM 542 CA VAL A 47 5.897 1.791 -0.307 1.00 0.00 C ATOM 543 C VAL A 47 6.470 3.156 -0.680 1.00 0.00 C ATOM 544 O VAL A 47 5.746 4.066 -1.018 1.00 0.00 O ATOM 545 CB VAL A 47 5.052 1.297 -1.473 1.00 0.00 C ATOM 546 CG1 VAL A 47 5.947 1.037 -2.679 1.00 0.00 C ATOM 547 CG2 VAL A 47 4.342 0.007 -1.079 1.00 0.00 C ATOM 0 H VAL A 47 4.426 2.708 0.937 1.00 0.00 H new ATOM 0 HA VAL A 47 6.717 1.106 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 47 4.311 2.055 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.340 0.683 -3.513 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.452 1.960 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.690 0.281 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.737 -0.345 -1.915 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.081 -0.751 -0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.699 0.194 -0.219 1.00 0.00 H new ATOM 557 N ASP A 48 7.766 3.292 -0.662 1.00 0.00 N ATOM 558 CA ASP A 48 8.388 4.588 -1.055 1.00 0.00 C ATOM 559 C ASP A 48 8.915 4.446 -2.485 1.00 0.00 C ATOM 560 O ASP A 48 9.949 3.853 -2.717 1.00 0.00 O ATOM 561 CB ASP A 48 9.545 4.913 -0.107 1.00 0.00 C ATOM 562 CG ASP A 48 8.996 5.237 1.284 1.00 0.00 C ATOM 563 OD1 ASP A 48 7.791 5.396 1.403 1.00 0.00 O ATOM 564 OD2 ASP A 48 9.789 5.320 2.209 1.00 0.00 O ATOM 0 H ASP A 48 8.423 2.560 -0.392 1.00 0.00 H new ATOM 0 HA ASP A 48 7.655 5.393 -1.000 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.230 4.067 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.115 5.760 -0.490 1.00 0.00 H new ATOM 569 N ALA A 49 8.198 4.961 -3.448 1.00 0.00 N ATOM 570 CA ALA A 49 8.645 4.822 -4.866 1.00 0.00 C ATOM 571 C ALA A 49 9.028 6.182 -5.459 1.00 0.00 C ATOM 572 O ALA A 49 8.758 7.223 -4.891 1.00 0.00 O ATOM 573 CB ALA A 49 7.507 4.228 -5.690 1.00 0.00 C ATOM 0 H ALA A 49 7.324 5.471 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 49 9.520 4.172 -4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.825 4.123 -6.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.241 3.249 -5.291 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.640 4.887 -5.641 1.00 0.00 H new ATOM 579 N ALA A 50 9.650 6.167 -6.611 1.00 0.00 N ATOM 580 CA ALA A 50 10.058 7.441 -7.266 1.00 0.00 C ATOM 581 C ALA A 50 9.070 7.783 -8.386 1.00 0.00 C ATOM 582 O ALA A 50 8.408 6.911 -8.945 1.00 0.00 O ATOM 583 CB ALA A 50 11.459 7.284 -7.860 1.00 0.00 C ATOM 0 H ALA A 50 9.893 5.321 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 50 10.061 8.241 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.758 8.216 -8.339 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.166 7.042 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.453 6.482 -8.598 1.00 0.00 H new ATOM 589 N GLY A 51 8.963 9.049 -8.717 1.00 0.00 N ATOM 590 CA GLY A 51 8.023 9.470 -9.791 1.00 0.00 C ATOM 591 C GLY A 51 6.684 8.776 -9.574 1.00 0.00 C ATOM 592 O GLY A 51 6.365 8.376 -8.475 1.00 0.00 O ATOM 0 H GLY A 51 9.491 9.807 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.894 10.552 -9.776 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.428 9.211 -10.769 1.00 0.00 H new ATOM 596 N PRO A 52 5.942 8.647 -10.629 1.00 0.00 N ATOM 597 CA PRO A 52 4.641 7.979 -10.590 1.00 0.00 C ATOM 598 C PRO A 52 4.806 6.471 -10.844 1.00 0.00 C ATOM 599 O PRO A 52 4.020 5.886 -11.559 1.00 0.00 O ATOM 600 CB PRO A 52 3.895 8.618 -11.765 1.00 0.00 C ATOM 601 CG PRO A 52 4.981 9.151 -12.737 1.00 0.00 C ATOM 602 CD PRO A 52 6.305 9.187 -11.950 1.00 0.00 C ATOM 0 HA PRO A 52 4.132 8.085 -9.632 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.254 7.889 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.250 9.427 -11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.068 8.505 -13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.720 10.145 -13.100 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.074 8.583 -12.432 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.698 10.201 -11.874 1.00 0.00 H new ATOM 610 N ALA A 53 5.816 5.819 -10.303 1.00 0.00 N ATOM 611 CA ALA A 53 5.943 4.357 -10.606 1.00 0.00 C ATOM 612 C ALA A 53 6.417 3.550 -9.394 1.00 0.00 C ATOM 613 O ALA A 53 7.048 4.059 -8.491 1.00 0.00 O ATOM 614 CB ALA A 53 6.925 4.162 -11.758 1.00 0.00 C ATOM 0 H ALA A 53 6.528 6.217 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 53 4.953 3.991 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.019 3.099 -11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.559 4.686 -12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.899 4.561 -11.477 1.00 0.00 H new ATOM 620 N ALA A 54 6.112 2.274 -9.398 1.00 0.00 N ATOM 621 CA ALA A 54 6.522 1.367 -8.284 1.00 0.00 C ATOM 622 C ALA A 54 6.297 -0.078 -8.735 1.00 0.00 C ATOM 623 O ALA A 54 6.052 -0.339 -9.893 1.00 0.00 O ATOM 624 CB ALA A 54 5.669 1.647 -7.044 1.00 0.00 C ATOM 0 H ALA A 54 5.586 1.816 -10.142 1.00 0.00 H new ATOM 0 HA ALA A 54 7.571 1.532 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.973 0.982 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.807 2.683 -6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.618 1.476 -7.279 1.00 0.00 H new ATOM 630 N SER A 55 6.371 -1.018 -7.836 1.00 0.00 N ATOM 631 CA SER A 55 6.147 -2.441 -8.230 1.00 0.00 C ATOM 632 C SER A 55 5.703 -3.248 -7.012 1.00 0.00 C ATOM 633 O SER A 55 6.157 -3.034 -5.910 1.00 0.00 O ATOM 634 CB SER A 55 7.425 -3.028 -8.811 1.00 0.00 C ATOM 635 OG SER A 55 8.271 -3.465 -7.758 1.00 0.00 O ATOM 0 H SER A 55 6.576 -0.866 -6.848 1.00 0.00 H new ATOM 0 HA SER A 55 5.366 -2.484 -8.989 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.187 -3.863 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.938 -2.281 -9.416 1.00 0.00 H new ATOM 0 HG SER A 55 9.191 -3.542 -8.088 1.00 0.00 H new ATOM 641 N HIS A 56 4.791 -4.160 -7.207 1.00 0.00 N ATOM 642 CA HIS A 56 4.274 -4.967 -6.068 1.00 0.00 C ATOM 643 C HIS A 56 4.946 -6.336 -5.998 1.00 0.00 C ATOM 644 O HIS A 56 5.223 -6.963 -6.999 1.00 0.00 O ATOM 645 CB HIS A 56 2.779 -5.174 -6.262 1.00 0.00 C ATOM 646 CG HIS A 56 2.036 -4.055 -5.605 1.00 0.00 C ATOM 647 ND1 HIS A 56 2.089 -2.753 -6.074 1.00 0.00 N ATOM 648 CD2 HIS A 56 1.213 -4.028 -4.516 1.00 0.00 C ATOM 649 CE1 HIS A 56 1.312 -2.005 -5.271 1.00 0.00 C ATOM 650 NE2 HIS A 56 0.752 -2.738 -4.308 1.00 0.00 N ATOM 0 H HIS A 56 4.379 -4.382 -8.114 1.00 0.00 H new ATOM 0 HA HIS A 56 4.487 -4.431 -5.143 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.540 -5.210 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.474 -6.129 -5.834 1.00 0.00 H new ATOM 0 HD1 HIS A 56 2.620 -2.422 -6.880 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.959 -4.884 -3.908 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.160 -0.942 -5.391 1.00 0.00 H new ATOM 658 N ARG A 57 5.173 -6.807 -4.804 1.00 0.00 N ATOM 659 CA ARG A 57 5.793 -8.149 -4.618 1.00 0.00 C ATOM 660 C ARG A 57 4.762 -9.060 -3.948 1.00 0.00 C ATOM 661 O ARG A 57 4.665 -9.122 -2.740 1.00 0.00 O ATOM 662 CB ARG A 57 7.039 -8.026 -3.729 1.00 0.00 C ATOM 663 CG ARG A 57 6.694 -7.270 -2.443 1.00 0.00 C ATOM 664 CD ARG A 57 7.630 -6.069 -2.283 1.00 0.00 C ATOM 665 NE ARG A 57 7.625 -5.258 -3.533 1.00 0.00 N ATOM 666 CZ ARG A 57 8.735 -4.729 -3.978 1.00 0.00 C ATOM 667 NH1 ARG A 57 9.663 -4.349 -3.140 1.00 0.00 N ATOM 668 NH2 ARG A 57 8.912 -4.575 -5.262 1.00 0.00 N ATOM 0 H ARG A 57 4.953 -6.314 -3.939 1.00 0.00 H new ATOM 0 HA ARG A 57 6.093 -8.565 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.421 -9.017 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.829 -7.503 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.658 -6.934 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.788 -7.934 -1.583 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.311 -5.457 -1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.642 -6.411 -2.064 1.00 0.00 H new ATOM 0 HE ARG A 57 6.753 -5.115 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.522 -4.465 -2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.528 -3.937 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.185 -4.867 -5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.777 -4.163 -5.612 1.00 0.00 H new ATOM 682 N TYR A 58 3.973 -9.754 -4.721 1.00 0.00 N ATOM 683 CA TYR A 58 2.933 -10.636 -4.116 1.00 0.00 C ATOM 684 C TYR A 58 3.481 -12.053 -3.967 1.00 0.00 C ATOM 685 O TYR A 58 4.147 -12.563 -4.842 1.00 0.00 O ATOM 686 CB TYR A 58 1.693 -10.615 -5.011 1.00 0.00 C ATOM 687 CG TYR A 58 1.008 -9.297 -4.820 1.00 0.00 C ATOM 688 CD1 TYR A 58 0.574 -8.938 -3.545 1.00 0.00 C ATOM 689 CD2 TYR A 58 0.805 -8.438 -5.902 1.00 0.00 C ATOM 690 CE1 TYR A 58 -0.065 -7.719 -3.344 1.00 0.00 C ATOM 691 CE2 TYR A 58 0.160 -7.216 -5.700 1.00 0.00 C ATOM 692 CZ TYR A 58 -0.275 -6.859 -4.416 1.00 0.00 C ATOM 693 OH TYR A 58 -0.924 -5.666 -4.206 1.00 0.00 O ATOM 0 H TYR A 58 4.002 -9.750 -5.741 1.00 0.00 H new ATOM 0 HA TYR A 58 2.660 -10.277 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.974 -10.751 -6.055 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.022 -11.434 -4.752 1.00 0.00 H new ATOM 0 HD1 TYR A 58 0.734 -9.607 -2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 58 1.145 -8.717 -6.889 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.398 -7.441 -2.355 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -0.003 -6.547 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.952 -5.474 -3.245 1.00 0.00 H new ATOM 703 N VAL A 59 3.229 -12.685 -2.849 1.00 0.00 N ATOM 704 CA VAL A 59 3.767 -14.060 -2.636 1.00 0.00 C ATOM 705 C VAL A 59 2.643 -15.058 -2.324 1.00 0.00 C ATOM 706 O VAL A 59 2.726 -16.215 -2.684 1.00 0.00 O ATOM 707 CB VAL A 59 4.768 -14.042 -1.477 1.00 0.00 C ATOM 708 CG1 VAL A 59 4.080 -13.562 -0.195 1.00 0.00 C ATOM 709 CG2 VAL A 59 5.317 -15.454 -1.262 1.00 0.00 C ATOM 0 H VAL A 59 2.676 -12.309 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 59 4.261 -14.378 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 59 5.584 -13.361 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.800 -13.553 0.623 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.690 -12.555 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.259 -14.236 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.030 -15.446 -0.438 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.496 -16.131 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.816 -15.792 -2.170 1.00 0.00 H new ATOM 719 N LEU A 60 1.599 -14.644 -1.656 1.00 0.00 N ATOM 720 CA LEU A 60 0.507 -15.607 -1.336 1.00 0.00 C ATOM 721 C LEU A 60 -0.587 -15.510 -2.401 1.00 0.00 C ATOM 722 O LEU A 60 -0.830 -14.452 -2.942 1.00 0.00 O ATOM 723 CB LEU A 60 -0.081 -15.272 0.037 1.00 0.00 C ATOM 724 CG LEU A 60 -0.157 -16.536 0.891 1.00 0.00 C ATOM 725 CD1 LEU A 60 0.713 -16.367 2.138 1.00 0.00 C ATOM 726 CD2 LEU A 60 -1.609 -16.775 1.312 1.00 0.00 C ATOM 0 H LEU A 60 1.456 -13.691 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 60 0.907 -16.621 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.536 -14.523 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.075 -14.840 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 60 0.203 -17.387 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.657 -17.270 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.747 -16.194 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.356 -15.516 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.667 -17.677 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.965 -15.922 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.230 -16.897 0.424 1.00 0.00 H new ATOM 738 N PRO A 61 -1.218 -16.623 -2.668 1.00 0.00 N ATOM 739 CA PRO A 61 -2.298 -16.701 -3.663 1.00 0.00 C ATOM 740 C PRO A 61 -3.599 -16.159 -3.066 1.00 0.00 C ATOM 741 O PRO A 61 -4.130 -16.698 -2.116 1.00 0.00 O ATOM 742 CB PRO A 61 -2.410 -18.200 -3.952 1.00 0.00 C ATOM 743 CG PRO A 61 -1.808 -18.927 -2.726 1.00 0.00 C ATOM 744 CD PRO A 61 -0.909 -17.905 -2.005 1.00 0.00 C ATOM 0 HA PRO A 61 -2.105 -16.115 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.450 -18.490 -4.103 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.870 -18.461 -4.862 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.596 -19.286 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.232 -19.798 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.128 -17.865 -0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.146 -18.161 -2.105 1.00 0.00 H new ATOM 752 N GLY A 62 -4.115 -15.093 -3.613 1.00 0.00 N ATOM 753 CA GLY A 62 -5.377 -14.516 -3.073 1.00 0.00 C ATOM 754 C GLY A 62 -5.588 -13.117 -3.654 1.00 0.00 C ATOM 755 O GLY A 62 -5.094 -12.797 -4.715 1.00 0.00 O ATOM 0 H GLY A 62 -3.717 -14.597 -4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.221 -15.158 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.330 -14.466 -1.985 1.00 0.00 H new ATOM 759 N ARG A 63 -6.317 -12.281 -2.967 1.00 0.00 N ATOM 760 CA ARG A 63 -6.558 -10.905 -3.484 1.00 0.00 C ATOM 761 C ARG A 63 -5.911 -9.881 -2.548 1.00 0.00 C ATOM 762 O ARG A 63 -6.199 -9.833 -1.369 1.00 0.00 O ATOM 763 CB ARG A 63 -8.062 -10.644 -3.569 1.00 0.00 C ATOM 764 CG ARG A 63 -8.717 -11.733 -4.420 1.00 0.00 C ATOM 765 CD ARG A 63 -10.073 -11.239 -4.934 1.00 0.00 C ATOM 766 NE ARG A 63 -10.954 -10.913 -3.777 1.00 0.00 N ATOM 767 CZ ARG A 63 -11.009 -11.717 -2.750 1.00 0.00 C ATOM 768 NH1 ARG A 63 -11.172 -13.000 -2.933 1.00 0.00 N ATOM 769 NH2 ARG A 63 -10.900 -11.239 -1.540 1.00 0.00 N ATOM 0 H ARG A 63 -6.756 -12.491 -2.071 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.119 -10.812 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.498 -10.635 -2.570 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.248 -9.663 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.071 -11.991 -5.259 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.849 -12.640 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.937 -10.358 -5.561 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.539 -12.004 -5.555 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.515 -10.061 -3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.256 -13.374 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.215 -13.628 -2.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.772 -10.237 -1.397 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.943 -11.867 -0.738 1.00 0.00 H new ATOM 783 N TYR A 64 -5.040 -9.061 -3.070 1.00 0.00 N ATOM 784 CA TYR A 64 -4.372 -8.033 -2.221 1.00 0.00 C ATOM 785 C TYR A 64 -4.950 -6.657 -2.543 1.00 0.00 C ATOM 786 O TYR A 64 -5.472 -6.433 -3.616 1.00 0.00 O ATOM 787 CB TYR A 64 -2.879 -7.997 -2.534 1.00 0.00 C ATOM 788 CG TYR A 64 -2.191 -9.245 -2.039 1.00 0.00 C ATOM 789 CD1 TYR A 64 -2.286 -10.434 -2.770 1.00 0.00 C ATOM 790 CD2 TYR A 64 -1.422 -9.202 -0.869 1.00 0.00 C ATOM 791 CE1 TYR A 64 -1.612 -11.579 -2.332 1.00 0.00 C ATOM 792 CE2 TYR A 64 -0.755 -10.350 -0.427 1.00 0.00 C ATOM 793 CZ TYR A 64 -0.848 -11.537 -1.160 1.00 0.00 C ATOM 794 OH TYR A 64 -0.175 -12.663 -0.735 1.00 0.00 O ATOM 0 H TYR A 64 -4.761 -9.059 -4.051 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.534 -8.284 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.732 -7.899 -3.610 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -2.428 -7.120 -2.069 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.879 -10.468 -3.672 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.344 -8.283 -0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -1.681 -12.496 -2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.169 -10.319 0.480 1.00 0.00 H new ATOM 0 HH TYR A 64 0.419 -12.428 0.008 1.00 0.00 H new ATOM 804 N HIS A 65 -4.834 -5.727 -1.632 1.00 0.00 N ATOM 805 CA HIS A 65 -5.352 -4.357 -1.898 1.00 0.00 C ATOM 806 C HIS A 65 -4.167 -3.401 -2.058 1.00 0.00 C ATOM 807 O HIS A 65 -3.270 -3.365 -1.240 1.00 0.00 O ATOM 808 CB HIS A 65 -6.229 -3.894 -0.733 1.00 0.00 C ATOM 809 CG HIS A 65 -6.593 -2.448 -0.933 1.00 0.00 C ATOM 810 ND1 HIS A 65 -7.324 -2.015 -2.029 1.00 0.00 N ATOM 811 CD2 HIS A 65 -6.326 -1.324 -0.193 1.00 0.00 C ATOM 812 CE1 HIS A 65 -7.469 -0.683 -1.919 1.00 0.00 C ATOM 813 NE2 HIS A 65 -6.880 -0.209 -0.817 1.00 0.00 N ATOM 0 H HIS A 65 -4.403 -5.859 -0.717 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.950 -4.364 -2.809 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.131 -4.504 -0.676 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.698 -4.021 0.210 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.686 -2.601 -2.782 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.770 -1.307 0.733 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.997 -0.070 -2.634 1.00 0.00 H new ATOM 821 N VAL A 66 -4.155 -2.635 -3.113 1.00 0.00 N ATOM 822 CA VAL A 66 -3.031 -1.687 -3.347 1.00 0.00 C ATOM 823 C VAL A 66 -3.515 -0.250 -3.168 1.00 0.00 C ATOM 824 O VAL A 66 -4.665 0.058 -3.397 1.00 0.00 O ATOM 825 CB VAL A 66 -2.524 -1.858 -4.778 1.00 0.00 C ATOM 826 CG1 VAL A 66 -1.384 -0.872 -5.039 1.00 0.00 C ATOM 827 CG2 VAL A 66 -2.019 -3.284 -4.970 1.00 0.00 C ATOM 0 H VAL A 66 -4.882 -2.625 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.234 -1.894 -2.633 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.337 -1.663 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.023 -0.995 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.746 0.147 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.569 -1.064 -4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.657 -3.407 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.206 -3.479 -4.271 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.832 -3.986 -4.786 1.00 0.00 H new ATOM 837 N THR A 67 -2.638 0.634 -2.774 1.00 0.00 N ATOM 838 CA THR A 67 -3.026 2.062 -2.594 1.00 0.00 C ATOM 839 C THR A 67 -1.798 2.934 -2.865 1.00 0.00 C ATOM 840 O THR A 67 -0.679 2.474 -2.767 1.00 0.00 O ATOM 841 CB THR A 67 -3.519 2.295 -1.161 1.00 0.00 C ATOM 842 OG1 THR A 67 -2.755 3.332 -0.562 1.00 0.00 O ATOM 843 CG2 THR A 67 -3.365 1.011 -0.344 1.00 0.00 C ATOM 0 H THR A 67 -1.661 0.425 -2.568 1.00 0.00 H new ATOM 0 HA THR A 67 -3.830 2.318 -3.284 1.00 0.00 H new ATOM 0 HB THR A 67 -4.570 2.581 -1.184 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.070 3.483 0.354 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.717 1.183 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.953 0.216 -0.802 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.315 0.719 -0.320 1.00 0.00 H new ATOM 851 N ALA A 68 -1.983 4.181 -3.210 1.00 0.00 N ATOM 852 CA ALA A 68 -0.792 5.043 -3.481 1.00 0.00 C ATOM 853 C ALA A 68 -1.089 6.506 -3.152 1.00 0.00 C ATOM 854 O ALA A 68 -2.218 6.946 -3.158 1.00 0.00 O ATOM 855 CB ALA A 68 -0.398 4.942 -4.959 1.00 0.00 C ATOM 0 H ALA A 68 -2.890 4.635 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 68 0.025 4.693 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.470 5.573 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.154 3.907 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.230 5.274 -5.581 1.00 0.00 H new ATOM 861 N VAL A 69 -0.062 7.260 -2.886 1.00 0.00 N ATOM 862 CA VAL A 69 -0.229 8.704 -2.580 1.00 0.00 C ATOM 863 C VAL A 69 1.006 9.437 -3.109 1.00 0.00 C ATOM 864 O VAL A 69 2.089 9.310 -2.576 1.00 0.00 O ATOM 865 CB VAL A 69 -0.361 8.904 -1.068 1.00 0.00 C ATOM 866 CG1 VAL A 69 0.863 8.332 -0.353 1.00 0.00 C ATOM 867 CG2 VAL A 69 -0.479 10.399 -0.761 1.00 0.00 C ATOM 0 H VAL A 69 0.903 6.930 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.130 9.096 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.253 8.385 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.759 8.480 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.944 7.266 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.760 8.842 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.573 10.543 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.411 10.915 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.359 10.804 -1.260 1.00 0.00 H new ATOM 877 N LEU A 70 0.866 10.178 -4.170 1.00 0.00 N ATOM 878 CA LEU A 70 2.058 10.876 -4.731 1.00 0.00 C ATOM 879 C LEU A 70 2.207 12.257 -4.109 1.00 0.00 C ATOM 880 O LEU A 70 1.245 12.877 -3.705 1.00 0.00 O ATOM 881 CB LEU A 70 1.938 11.057 -6.250 1.00 0.00 C ATOM 882 CG LEU A 70 0.811 10.217 -6.849 1.00 0.00 C ATOM 883 CD1 LEU A 70 0.788 10.471 -8.349 1.00 0.00 C ATOM 884 CD2 LEU A 70 1.054 8.728 -6.604 1.00 0.00 C ATOM 0 H LEU A 70 -0.010 10.331 -4.670 1.00 0.00 H new ATOM 0 HA LEU A 70 2.925 10.256 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.763 12.109 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.882 10.783 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.135 10.493 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.009 9.883 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.610 11.530 -8.536 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.746 10.182 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.239 8.150 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.996 8.432 -7.066 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.101 8.539 -5.532 1.00 0.00 H new ATOM 896 N ALA A 71 3.411 12.757 -4.062 1.00 0.00 N ATOM 897 CA ALA A 71 3.630 14.115 -3.504 1.00 0.00 C ATOM 898 C ALA A 71 4.493 14.908 -4.476 1.00 0.00 C ATOM 899 O ALA A 71 5.623 14.563 -4.756 1.00 0.00 O ATOM 900 CB ALA A 71 4.337 14.042 -2.157 1.00 0.00 C ATOM 0 H ALA A 71 4.252 12.281 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 71 2.663 14.599 -3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.486 15.050 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.728 13.470 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.304 13.554 -2.280 1.00 0.00 H new ATOM 906 N LEU A 72 3.958 15.968 -4.989 1.00 0.00 N ATOM 907 CA LEU A 72 4.717 16.811 -5.950 1.00 0.00 C ATOM 908 C LEU A 72 5.153 18.099 -5.256 1.00 0.00 C ATOM 909 O LEU A 72 5.956 18.854 -5.766 1.00 0.00 O ATOM 910 CB LEU A 72 3.802 17.170 -7.115 1.00 0.00 C ATOM 911 CG LEU A 72 3.513 15.926 -7.960 1.00 0.00 C ATOM 912 CD1 LEU A 72 2.349 15.141 -7.349 1.00 0.00 C ATOM 913 CD2 LEU A 72 3.138 16.360 -9.378 1.00 0.00 C ATOM 0 H LEU A 72 3.014 16.295 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 72 5.592 16.268 -6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.868 17.588 -6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.270 17.937 -7.732 1.00 0.00 H new ATOM 0 HG LEU A 72 4.400 15.293 -7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.148 14.257 -7.955 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.609 14.835 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.460 15.771 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.931 15.479 -9.985 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.251 16.993 -9.342 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.964 16.918 -9.818 1.00 0.00 H new ATOM 925 N GLY A 73 4.603 18.363 -4.109 1.00 0.00 N ATOM 926 CA GLY A 73 4.948 19.612 -3.378 1.00 0.00 C ATOM 927 C GLY A 73 3.756 20.561 -3.480 1.00 0.00 C ATOM 928 O GLY A 73 3.326 21.148 -2.507 1.00 0.00 O ATOM 0 H GLY A 73 3.923 17.763 -3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.173 19.393 -2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.839 20.071 -3.807 1.00 0.00 H new ATOM 932 N ALA A 74 3.209 20.697 -4.658 1.00 0.00 N ATOM 933 CA ALA A 74 2.030 21.586 -4.844 1.00 0.00 C ATOM 934 C ALA A 74 0.810 20.749 -5.251 1.00 0.00 C ATOM 935 O ALA A 74 -0.294 21.252 -5.340 1.00 0.00 O ATOM 936 CB ALA A 74 2.332 22.604 -5.944 1.00 0.00 C ATOM 0 H ALA A 74 3.532 20.227 -5.504 1.00 0.00 H new ATOM 0 HA ALA A 74 1.818 22.105 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.470 23.257 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.198 23.202 -5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.544 22.080 -6.876 1.00 0.00 H new ATOM 942 N GLY A 75 0.995 19.479 -5.501 1.00 0.00 N ATOM 943 CA GLY A 75 -0.157 18.619 -5.904 1.00 0.00 C ATOM 944 C GLY A 75 0.083 17.182 -5.431 1.00 0.00 C ATOM 945 O GLY A 75 1.180 16.815 -5.062 1.00 0.00 O ATOM 0 H GLY A 75 1.894 19.000 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.080 19.005 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.278 18.640 -6.987 1.00 0.00 H new ATOM 949 N SER A 76 -0.938 16.368 -5.434 1.00 0.00 N ATOM 950 CA SER A 76 -0.774 14.956 -4.982 1.00 0.00 C ATOM 951 C SER A 76 -1.791 14.068 -5.701 1.00 0.00 C ATOM 952 O SER A 76 -2.703 14.548 -6.344 1.00 0.00 O ATOM 953 CB SER A 76 -1.004 14.885 -3.472 1.00 0.00 C ATOM 954 OG SER A 76 -2.235 14.220 -3.214 1.00 0.00 O ATOM 0 H SER A 76 -1.881 16.620 -5.731 1.00 0.00 H new ATOM 0 HA SER A 76 0.232 14.608 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.183 14.353 -2.992 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.024 15.889 -3.048 1.00 0.00 H new ATOM 0 HG SER A 76 -2.384 14.172 -2.247 1.00 0.00 H new ATOM 960 N ALA A 77 -1.644 12.774 -5.597 1.00 0.00 N ATOM 961 CA ALA A 77 -2.605 11.859 -6.275 1.00 0.00 C ATOM 962 C ALA A 77 -2.816 10.611 -5.414 1.00 0.00 C ATOM 963 O ALA A 77 -1.893 10.098 -4.816 1.00 0.00 O ATOM 964 CB ALA A 77 -2.036 11.455 -7.634 1.00 0.00 C ATOM 0 H ALA A 77 -0.901 12.313 -5.072 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.560 12.365 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.734 10.785 -8.136 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.885 12.345 -8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.083 10.946 -7.492 1.00 0.00 H new ATOM 970 N LEU A 78 -4.025 10.120 -5.338 1.00 0.00 N ATOM 971 CA LEU A 78 -4.289 8.912 -4.503 1.00 0.00 C ATOM 972 C LEU A 78 -4.533 7.696 -5.393 1.00 0.00 C ATOM 973 O LEU A 78 -5.006 7.811 -6.506 1.00 0.00 O ATOM 974 CB LEU A 78 -5.522 9.157 -3.632 1.00 0.00 C ATOM 975 CG LEU A 78 -5.089 9.452 -2.194 1.00 0.00 C ATOM 976 CD1 LEU A 78 -4.551 8.176 -1.544 1.00 0.00 C ATOM 977 CD2 LEU A 78 -3.992 10.520 -2.199 1.00 0.00 C ATOM 0 H LEU A 78 -4.840 10.503 -5.817 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.421 8.721 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.098 9.994 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.174 8.283 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.948 9.812 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.244 8.391 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.331 7.415 -1.537 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.694 7.812 -2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.684 10.730 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.136 10.159 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.374 11.432 -2.657 1.00 0.00 H new ATOM 989 N LEU A 79 -4.206 6.527 -4.908 1.00 0.00 N ATOM 990 CA LEU A 79 -4.408 5.296 -5.716 1.00 0.00 C ATOM 991 C LEU A 79 -5.037 4.208 -4.853 1.00 0.00 C ATOM 992 O LEU A 79 -4.947 4.231 -3.640 1.00 0.00 O ATOM 993 CB LEU A 79 -3.053 4.810 -6.227 1.00 0.00 C ATOM 994 CG LEU A 79 -3.116 4.481 -7.715 1.00 0.00 C ATOM 995 CD1 LEU A 79 -3.268 2.971 -7.896 1.00 0.00 C ATOM 996 CD2 LEU A 79 -4.289 5.215 -8.366 1.00 0.00 C ATOM 0 H LEU A 79 -3.806 6.375 -3.982 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.068 5.516 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.298 5.577 -6.052 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.745 3.926 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.194 4.807 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.313 2.735 -8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.414 2.463 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.185 2.637 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.325 4.973 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.220 4.905 -7.892 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.159 6.290 -8.243 1.00 0.00 H new ATOM 1008 N GLY A 80 -5.663 3.250 -5.480 1.00 0.00 N ATOM 1009 CA GLY A 80 -6.306 2.142 -4.720 1.00 0.00 C ATOM 1010 C GLY A 80 -6.696 1.010 -5.682 1.00 0.00 C ATOM 1011 O GLY A 80 -7.777 1.006 -6.237 1.00 0.00 O ATOM 0 H GLY A 80 -5.757 3.187 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.622 1.766 -3.959 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.190 2.511 -4.200 1.00 0.00 H new ATOM 1015 N THR A 81 -5.828 0.050 -5.885 1.00 0.00 N ATOM 1016 CA THR A 81 -6.159 -1.072 -6.819 1.00 0.00 C ATOM 1017 C THR A 81 -6.265 -2.393 -6.043 1.00 0.00 C ATOM 1018 O THR A 81 -6.232 -2.419 -4.833 1.00 0.00 O ATOM 1019 CB THR A 81 -5.063 -1.200 -7.893 1.00 0.00 C ATOM 1020 OG1 THR A 81 -4.242 -2.323 -7.607 1.00 0.00 O ATOM 1021 CG2 THR A 81 -4.193 0.059 -7.923 1.00 0.00 C ATOM 0 H THR A 81 -4.909 -0.006 -5.447 1.00 0.00 H new ATOM 0 HA THR A 81 -7.115 -0.858 -7.297 1.00 0.00 H new ATOM 0 HB THR A 81 -5.543 -1.327 -8.863 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.894 -2.695 -8.444 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.424 -0.049 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.814 0.925 -8.152 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.721 0.198 -6.950 1.00 0.00 H new ATOM 1029 N ASP A 82 -6.382 -3.492 -6.747 1.00 0.00 N ATOM 1030 CA ASP A 82 -6.474 -4.827 -6.090 1.00 0.00 C ATOM 1031 C ASP A 82 -5.865 -5.854 -7.044 1.00 0.00 C ATOM 1032 O ASP A 82 -5.937 -5.699 -8.246 1.00 0.00 O ATOM 1033 CB ASP A 82 -7.940 -5.184 -5.830 1.00 0.00 C ATOM 1034 CG ASP A 82 -8.325 -4.778 -4.406 1.00 0.00 C ATOM 1035 OD1 ASP A 82 -8.169 -5.596 -3.514 1.00 0.00 O ATOM 1036 OD2 ASP A 82 -8.771 -3.656 -4.232 1.00 0.00 O ATOM 0 H ASP A 82 -6.418 -3.518 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.945 -4.817 -5.137 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.581 -4.675 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.094 -6.254 -5.967 1.00 0.00 H new ATOM 1041 N VAL A 83 -5.255 -6.894 -6.543 1.00 0.00 N ATOM 1042 CA VAL A 83 -4.647 -7.887 -7.465 1.00 0.00 C ATOM 1043 C VAL A 83 -5.097 -9.297 -7.086 1.00 0.00 C ATOM 1044 O VAL A 83 -5.195 -9.639 -5.927 1.00 0.00 O ATOM 1045 CB VAL A 83 -3.115 -7.805 -7.396 1.00 0.00 C ATOM 1046 CG1 VAL A 83 -2.664 -6.914 -6.235 1.00 0.00 C ATOM 1047 CG2 VAL A 83 -2.549 -9.202 -7.174 1.00 0.00 C ATOM 0 H VAL A 83 -5.153 -7.095 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.973 -7.664 -8.481 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.753 -7.381 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.575 -6.873 -6.209 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.061 -5.908 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.034 -7.325 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.461 -9.150 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.936 -9.607 -6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.844 -9.850 -8.000 1.00 0.00 H new ATOM 1057 N GLN A 84 -5.360 -10.119 -8.066 1.00 0.00 N ATOM 1058 CA GLN A 84 -5.791 -11.515 -7.780 1.00 0.00 C ATOM 1059 C GLN A 84 -4.618 -12.463 -8.040 1.00 0.00 C ATOM 1060 O GLN A 84 -4.479 -13.016 -9.112 1.00 0.00 O ATOM 1061 CB GLN A 84 -6.960 -11.881 -8.699 1.00 0.00 C ATOM 1062 CG GLN A 84 -8.205 -12.152 -7.856 1.00 0.00 C ATOM 1063 CD GLN A 84 -9.232 -12.915 -8.693 1.00 0.00 C ATOM 1064 OE1 GLN A 84 -10.245 -12.367 -9.081 1.00 0.00 O ATOM 1065 NE2 GLN A 84 -9.013 -14.167 -8.990 1.00 0.00 N ATOM 0 H GLN A 84 -5.294 -9.881 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 84 -6.107 -11.601 -6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.153 -11.070 -9.401 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.710 -12.762 -9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.939 -12.731 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.632 -11.212 -7.506 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.163 -14.627 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.692 -14.685 -9.548 1.00 0.00 H new ATOM 1074 N VAL A 85 -3.765 -12.647 -7.070 1.00 0.00 N ATOM 1075 CA VAL A 85 -2.598 -13.552 -7.265 1.00 0.00 C ATOM 1076 C VAL A 85 -3.052 -15.008 -7.152 1.00 0.00 C ATOM 1077 O VAL A 85 -3.825 -15.361 -6.286 1.00 0.00 O ATOM 1078 CB VAL A 85 -1.542 -13.255 -6.201 1.00 0.00 C ATOM 1079 CG1 VAL A 85 -0.378 -14.237 -6.342 1.00 0.00 C ATOM 1080 CG2 VAL A 85 -1.026 -11.828 -6.390 1.00 0.00 C ATOM 0 H VAL A 85 -3.826 -12.209 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.171 -13.387 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.985 -13.360 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.373 -14.022 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.744 -15.256 -6.213 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.067 -14.134 -7.331 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.272 -11.611 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.584 -11.729 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.854 -11.126 -6.290 1.00 0.00 H new ATOM 1090 N GLU A 86 -2.578 -15.857 -8.026 1.00 0.00 N ATOM 1091 CA GLU A 86 -2.982 -17.293 -7.975 1.00 0.00 C ATOM 1092 C GLU A 86 -1.735 -18.173 -7.873 1.00 0.00 C ATOM 1093 O GLU A 86 -0.722 -17.896 -8.477 1.00 0.00 O ATOM 1094 CB GLU A 86 -3.746 -17.653 -9.250 1.00 0.00 C ATOM 1095 CG GLU A 86 -4.925 -16.695 -9.438 1.00 0.00 C ATOM 1096 CD GLU A 86 -5.849 -16.773 -8.221 1.00 0.00 C ATOM 1097 OE1 GLU A 86 -6.097 -17.876 -7.760 1.00 0.00 O ATOM 1098 OE2 GLU A 86 -6.293 -15.727 -7.773 1.00 0.00 O ATOM 0 H GLU A 86 -1.927 -15.617 -8.774 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.618 -17.457 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.080 -17.598 -10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.106 -18.680 -9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.561 -15.676 -9.566 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.476 -16.953 -10.343 1.00 0.00 H new ATOM 1105 N ALA A 87 -1.803 -19.237 -7.120 1.00 0.00 N ATOM 1106 CA ALA A 87 -0.620 -20.133 -6.987 1.00 0.00 C ATOM 1107 C ALA A 87 -0.469 -20.978 -8.255 1.00 0.00 C ATOM 1108 O ALA A 87 -1.430 -21.506 -8.777 1.00 0.00 O ATOM 1109 CB ALA A 87 -0.806 -21.057 -5.781 1.00 0.00 C ATOM 0 H ALA A 87 -2.627 -19.524 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 87 0.274 -19.526 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.061 -21.711 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.909 -20.458 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.703 -21.661 -5.920 1.00 0.00 H new TER 1115 ALA A 87