USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 18 TYR OH : rot -102:sc= -5.79! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 90:sc= -0.794! USER MOD Single : B 1 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 6 GLN : amide:sc= -0.226 K(o=-0.23,f=-2!) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : B 18 TYR OH : rot -102:sc= -5.83! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 95:sc= -1.24! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 81.145 55.618 49.347 1.00 0.00 N ATOM 2 CA HIS A 1 81.104 57.056 49.743 1.00 0.00 C ATOM 3 C HIS A 1 81.745 57.243 51.121 1.00 0.00 C ATOM 4 O HIS A 1 81.099 57.652 52.066 1.00 0.00 O ATOM 5 CB HIS A 1 79.617 57.409 49.790 1.00 0.00 C ATOM 6 CG HIS A 1 79.415 58.797 49.250 1.00 0.00 C ATOM 7 ND1 HIS A 1 80.103 59.892 49.747 1.00 0.00 N ATOM 8 CD2 HIS A 1 78.603 59.285 48.256 1.00 0.00 C ATOM 9 CE1 HIS A 1 79.699 60.974 49.057 1.00 0.00 C ATOM 10 NE2 HIS A 1 78.785 60.660 48.136 1.00 0.00 N ATOM 0 H1 HIS A 1 80.707 55.503 48.411 1.00 0.00 H new ATOM 0 H2 HIS A 1 82.133 55.296 49.309 1.00 0.00 H new ATOM 0 H3 HIS A 1 80.623 55.051 50.045 1.00 0.00 H new ATOM 0 HA HIS A 1 81.653 57.693 49.049 1.00 0.00 H new ATOM 0 HB2 HIS A 1 79.043 56.692 49.203 1.00 0.00 H new ATOM 0 HB3 HIS A 1 79.250 57.349 50.815 1.00 0.00 H new ATOM 0 HD2 HIS A 1 77.926 58.692 47.658 1.00 0.00 H new ATOM 0 HE1 HIS A 1 80.069 61.974 49.227 1.00 0.00 H new ATOM 0 HE2 HIS A 1 78.320 61.292 47.484 1.00 0.00 H new ATOM 20 N MET A 2 83.010 56.948 51.244 1.00 0.00 N ATOM 21 CA MET A 2 83.689 57.110 52.561 1.00 0.00 C ATOM 22 C MET A 2 84.686 58.271 52.505 1.00 0.00 C ATOM 23 O MET A 2 85.749 58.161 51.927 1.00 0.00 O ATOM 24 CB MET A 2 84.419 55.787 52.796 1.00 0.00 C ATOM 25 CG MET A 2 83.673 54.974 53.854 1.00 0.00 C ATOM 26 SD MET A 2 84.778 53.716 54.541 1.00 0.00 S ATOM 27 CE MET A 2 84.231 52.340 53.501 1.00 0.00 C ATOM 0 H MET A 2 83.603 56.602 50.490 1.00 0.00 H new ATOM 0 HA MET A 2 82.985 57.336 53.362 1.00 0.00 H new ATOM 0 HB2 MET A 2 84.481 55.223 51.865 1.00 0.00 H new ATOM 0 HB3 MET A 2 85.442 55.977 53.122 1.00 0.00 H new ATOM 0 HG2 MET A 2 83.315 55.631 54.647 1.00 0.00 H new ATOM 0 HG3 MET A 2 82.796 54.501 53.412 1.00 0.00 H new ATOM 0 HE1 MET A 2 84.793 51.443 53.760 1.00 0.00 H new ATOM 0 HE2 MET A 2 83.168 52.162 53.663 1.00 0.00 H new ATOM 0 HE3 MET A 2 84.402 52.586 52.453 1.00 0.00 H new ATOM 37 N GLY A 3 84.351 59.382 53.101 1.00 0.00 N ATOM 38 CA GLY A 3 85.280 60.547 53.082 1.00 0.00 C ATOM 39 C GLY A 3 86.061 60.599 54.396 1.00 0.00 C ATOM 40 O GLY A 3 85.562 61.052 55.407 1.00 0.00 O ATOM 0 H GLY A 3 83.474 59.534 53.600 1.00 0.00 H new ATOM 0 HA2 GLY A 3 85.968 60.463 52.241 1.00 0.00 H new ATOM 0 HA3 GLY A 3 84.719 61.471 52.944 1.00 0.00 H new ATOM 44 N HIS A 4 87.282 60.140 54.390 1.00 0.00 N ATOM 45 CA HIS A 4 88.093 60.165 55.641 1.00 0.00 C ATOM 46 C HIS A 4 89.559 60.459 55.316 1.00 0.00 C ATOM 47 O HIS A 4 90.041 60.149 54.243 1.00 0.00 O ATOM 48 CB HIS A 4 87.945 58.765 56.238 1.00 0.00 C ATOM 49 CG HIS A 4 87.936 58.857 57.739 1.00 0.00 C ATOM 50 ND1 HIS A 4 86.759 58.958 58.466 1.00 0.00 N ATOM 51 CD2 HIS A 4 88.950 58.867 58.665 1.00 0.00 C ATOM 52 CE1 HIS A 4 87.092 59.024 59.767 1.00 0.00 C ATOM 53 NE2 HIS A 4 88.415 58.972 59.945 1.00 0.00 N ATOM 0 H HIS A 4 87.753 59.749 53.574 1.00 0.00 H new ATOM 0 HA HIS A 4 87.761 60.939 56.333 1.00 0.00 H new ATOM 0 HB2 HIS A 4 87.022 58.304 55.886 1.00 0.00 H new ATOM 0 HB3 HIS A 4 88.766 58.129 55.907 1.00 0.00 H new ATOM 0 HD2 HIS A 4 90.003 58.803 58.435 1.00 0.00 H new ATOM 0 HE1 HIS A 4 86.376 59.109 60.571 1.00 0.00 H new ATOM 0 HE2 HIS A 4 88.923 59.003 60.829 1.00 0.00 H new ATOM 61 N ILE A 5 90.274 61.053 56.232 1.00 0.00 N ATOM 62 CA ILE A 5 91.708 61.365 55.973 1.00 0.00 C ATOM 63 C ILE A 5 92.599 60.667 57.006 1.00 0.00 C ATOM 64 O ILE A 5 92.200 60.439 58.130 1.00 0.00 O ATOM 65 CB ILE A 5 91.814 62.885 56.106 1.00 0.00 C ATOM 66 CG1 ILE A 5 93.234 63.329 55.750 1.00 0.00 C ATOM 67 CG2 ILE A 5 91.496 63.305 57.544 1.00 0.00 C ATOM 68 CD1 ILE A 5 93.282 63.754 54.281 1.00 0.00 C ATOM 0 H ILE A 5 89.927 61.336 57.149 1.00 0.00 H new ATOM 0 HA ILE A 5 92.035 61.020 54.992 1.00 0.00 H new ATOM 0 HB ILE A 5 91.101 63.355 55.428 1.00 0.00 H new ATOM 0 HG12 ILE A 5 93.539 64.157 56.390 1.00 0.00 H new ATOM 0 HG13 ILE A 5 93.936 62.515 55.927 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.573 64.389 57.632 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.484 62.991 57.799 1.00 0.00 H new ATOM 0 HG23 ILE A 5 92.204 62.834 58.226 1.00 0.00 H new ATOM 0 HD11 ILE A 5 94.294 64.071 54.027 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.995 62.913 53.649 1.00 0.00 H new ATOM 0 HD13 ILE A 5 92.591 64.582 54.119 1.00 0.00 H new ATOM 80 N GLN A 6 93.802 60.324 56.632 1.00 0.00 N ATOM 81 CA GLN A 6 94.715 59.642 57.594 1.00 0.00 C ATOM 82 C GLN A 6 96.117 59.508 56.991 1.00 0.00 C ATOM 83 O GLN A 6 96.424 58.545 56.318 1.00 0.00 O ATOM 84 CB GLN A 6 94.093 58.263 57.819 1.00 0.00 C ATOM 85 CG GLN A 6 93.929 58.015 59.320 1.00 0.00 C ATOM 86 CD GLN A 6 94.011 56.513 59.601 1.00 0.00 C ATOM 87 OE1 GLN A 6 94.689 55.789 58.900 1.00 0.00 O ATOM 88 NE2 GLN A 6 93.346 56.013 60.605 1.00 0.00 N ATOM 0 H GLN A 6 94.192 60.486 55.703 1.00 0.00 H new ATOM 0 HA GLN A 6 94.823 60.198 58.525 1.00 0.00 H new ATOM 0 HB2 GLN A 6 93.125 58.204 57.322 1.00 0.00 H new ATOM 0 HB3 GLN A 6 94.725 57.491 57.379 1.00 0.00 H new ATOM 0 HG2 GLN A 6 94.706 58.542 59.874 1.00 0.00 H new ATOM 0 HG3 GLN A 6 92.972 58.408 59.662 1.00 0.00 H new ATOM 0 HE21 GLN A 6 92.777 56.621 61.193 1.00 0.00 H new ATOM 0 HE22 GLN A 6 93.395 55.013 60.802 1.00 0.00 H new ATOM 97 N ILE A 7 96.969 60.468 57.229 1.00 0.00 N ATOM 98 CA ILE A 7 98.351 60.397 56.673 1.00 0.00 C ATOM 99 C ILE A 7 99.271 59.670 57.672 1.00 0.00 C ATOM 100 O ILE A 7 99.571 60.197 58.726 1.00 0.00 O ATOM 101 CB ILE A 7 98.769 61.866 56.480 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.133 62.409 55.197 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.294 61.983 56.361 1.00 0.00 C ATOM 104 CD1 ILE A 7 96.612 62.463 55.355 1.00 0.00 C ATOM 0 H ILE A 7 96.768 61.299 57.785 1.00 0.00 H new ATOM 0 HA ILE A 7 98.412 59.843 55.736 1.00 0.00 H new ATOM 0 HB ILE A 7 98.433 62.439 57.344 1.00 0.00 H new ATOM 0 HG12 ILE A 7 98.521 63.404 54.981 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.398 61.774 54.352 1.00 0.00 H new ATOM 0 HG21 ILE A 7 100.569 63.029 56.225 1.00 0.00 H new ATOM 0 HG22 ILE A 7 100.760 61.600 57.269 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.638 61.403 55.504 1.00 0.00 H new ATOM 0 HD11 ILE A 7 96.165 62.850 54.439 1.00 0.00 H new ATOM 0 HD12 ILE A 7 96.231 61.461 55.550 1.00 0.00 H new ATOM 0 HD13 ILE A 7 96.356 63.117 56.189 1.00 0.00 H new ATOM 116 N PRO A 8 99.689 58.479 57.312 1.00 0.00 N ATOM 117 CA PRO A 8 100.579 57.686 58.199 1.00 0.00 C ATOM 118 C PRO A 8 101.987 58.292 58.241 1.00 0.00 C ATOM 119 O PRO A 8 102.381 59.003 57.337 1.00 0.00 O ATOM 120 CB PRO A 8 100.600 56.306 57.551 1.00 0.00 C ATOM 121 CG PRO A 8 100.275 56.552 56.116 1.00 0.00 C ATOM 122 CD PRO A 8 99.382 57.763 56.066 1.00 0.00 C ATOM 0 HA PRO A 8 100.233 57.661 59.232 1.00 0.00 H new ATOM 0 HB2 PRO A 8 101.576 55.833 57.660 1.00 0.00 H new ATOM 0 HB3 PRO A 8 99.870 55.641 58.013 1.00 0.00 H new ATOM 0 HG2 PRO A 8 101.184 56.720 55.538 1.00 0.00 H new ATOM 0 HG3 PRO A 8 99.775 55.687 55.680 1.00 0.00 H new ATOM 0 HD2 PRO A 8 99.590 58.377 55.190 1.00 0.00 H new ATOM 0 HD3 PRO A 8 98.330 57.482 56.015 1.00 0.00 H new ATOM 130 N PRO A 9 102.706 57.989 59.296 1.00 0.00 N ATOM 131 CA PRO A 9 104.084 58.516 59.451 1.00 0.00 C ATOM 132 C PRO A 9 105.052 57.769 58.527 1.00 0.00 C ATOM 133 O PRO A 9 104.744 56.712 58.012 1.00 0.00 O ATOM 134 CB PRO A 9 104.413 58.238 60.915 1.00 0.00 C ATOM 135 CG PRO A 9 103.538 57.087 61.301 1.00 0.00 C ATOM 136 CD PRO A 9 102.310 57.141 60.430 1.00 0.00 C ATOM 0 HA PRO A 9 104.168 59.571 59.192 1.00 0.00 H new ATOM 0 HB2 PRO A 9 105.467 57.991 61.042 1.00 0.00 H new ATOM 0 HB3 PRO A 9 104.213 59.111 61.536 1.00 0.00 H new ATOM 0 HG2 PRO A 9 104.064 56.142 61.164 1.00 0.00 H new ATOM 0 HG3 PRO A 9 103.264 57.150 62.354 1.00 0.00 H new ATOM 0 HD2 PRO A 9 102.014 56.146 60.098 1.00 0.00 H new ATOM 0 HD3 PRO A 9 101.461 57.565 60.966 1.00 0.00 H new ATOM 144 N GLY A 10 106.220 58.311 58.316 1.00 0.00 N ATOM 145 CA GLY A 10 107.207 57.634 57.428 1.00 0.00 C ATOM 146 C GLY A 10 107.238 58.334 56.069 1.00 0.00 C ATOM 147 O GLY A 10 108.213 58.266 55.347 1.00 0.00 O ATOM 0 H GLY A 10 106.534 59.193 58.720 1.00 0.00 H new ATOM 0 HA2 GLY A 10 108.197 57.657 57.883 1.00 0.00 H new ATOM 0 HA3 GLY A 10 106.939 56.585 57.302 1.00 0.00 H new ATOM 151 N LEU A 11 106.178 59.007 55.714 1.00 0.00 N ATOM 152 CA LEU A 11 106.146 59.710 54.401 1.00 0.00 C ATOM 153 C LEU A 11 106.760 61.108 54.531 1.00 0.00 C ATOM 154 O LEU A 11 107.160 61.712 53.556 1.00 0.00 O ATOM 155 CB LEU A 11 104.663 59.807 54.041 1.00 0.00 C ATOM 156 CG LEU A 11 104.434 59.209 52.652 1.00 0.00 C ATOM 157 CD1 LEU A 11 103.000 58.683 52.551 1.00 0.00 C ATOM 158 CD2 LEU A 11 104.654 60.287 51.591 1.00 0.00 C ATOM 0 H LEU A 11 105.333 59.100 56.277 1.00 0.00 H new ATOM 0 HA LEU A 11 106.718 59.183 53.637 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.063 59.276 54.780 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.341 60.848 54.058 1.00 0.00 H new ATOM 0 HG LEU A 11 105.134 58.389 52.491 1.00 0.00 H new ATOM 0 HD11 LEU A 11 102.838 58.257 51.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 102.840 57.915 53.307 1.00 0.00 H new ATOM 0 HD13 LEU A 11 102.300 59.502 52.713 1.00 0.00 H new ATOM 0 HD21 LEU A 11 104.491 59.862 50.601 1.00 0.00 H new ATOM 0 HD22 LEU A 11 103.954 61.106 51.754 1.00 0.00 H new ATOM 0 HD23 LEU A 11 105.675 60.663 51.661 1.00 0.00 H new ATOM 170 N THR A 12 106.837 61.626 55.727 1.00 0.00 N ATOM 171 CA THR A 12 107.423 62.985 55.916 1.00 0.00 C ATOM 172 C THR A 12 108.950 62.921 55.831 1.00 0.00 C ATOM 173 O THR A 12 109.580 63.730 55.178 1.00 0.00 O ATOM 174 CB THR A 12 106.981 63.416 57.316 1.00 0.00 C ATOM 175 OG1 THR A 12 105.564 63.517 57.351 1.00 0.00 O ATOM 176 CG2 THR A 12 107.601 64.772 57.655 1.00 0.00 C ATOM 0 H THR A 12 106.520 61.168 56.581 1.00 0.00 H new ATOM 0 HA THR A 12 107.093 63.686 55.150 1.00 0.00 H new ATOM 0 HB THR A 12 107.312 62.677 58.046 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.278 63.791 58.247 1.00 0.00 H new ATOM 0 HG21 THR A 12 107.285 65.077 58.653 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.688 64.692 57.627 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.273 65.514 56.927 1.00 0.00 H new ATOM 184 N GLU A 13 109.548 61.968 56.487 1.00 0.00 N ATOM 185 CA GLU A 13 111.034 61.851 56.446 1.00 0.00 C ATOM 186 C GLU A 13 111.516 61.768 54.995 1.00 0.00 C ATOM 187 O GLU A 13 112.312 62.569 54.549 1.00 0.00 O ATOM 188 CB GLU A 13 111.351 60.555 57.192 1.00 0.00 C ATOM 189 CG GLU A 13 111.576 60.858 58.674 1.00 0.00 C ATOM 190 CD GLU A 13 110.247 60.753 59.423 1.00 0.00 C ATOM 191 OE1 GLU A 13 109.687 59.669 59.447 1.00 0.00 O ATOM 192 OE2 GLU A 13 109.810 61.758 59.961 1.00 0.00 O ATOM 0 H GLU A 13 109.073 61.263 57.051 1.00 0.00 H new ATOM 0 HA GLU A 13 111.529 62.711 56.897 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.531 59.847 57.076 1.00 0.00 H new ATOM 0 HB3 GLU A 13 112.239 60.087 56.767 1.00 0.00 H new ATOM 0 HG2 GLU A 13 112.299 60.158 59.094 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.995 61.857 58.792 1.00 0.00 H new ATOM 199 N LEU A 14 111.039 60.804 54.257 1.00 0.00 N ATOM 200 CA LEU A 14 111.469 60.668 52.835 1.00 0.00 C ATOM 201 C LEU A 14 111.265 61.991 52.091 1.00 0.00 C ATOM 202 O LEU A 14 112.176 62.520 51.486 1.00 0.00 O ATOM 203 CB LEU A 14 110.567 59.579 52.253 1.00 0.00 C ATOM 204 CG LEU A 14 111.219 58.212 52.460 1.00 0.00 C ATOM 205 CD1 LEU A 14 110.179 57.112 52.236 1.00 0.00 C ATOM 206 CD2 LEU A 14 112.366 58.037 51.463 1.00 0.00 C ATOM 0 H LEU A 14 110.370 60.104 54.576 1.00 0.00 H new ATOM 0 HA LEU A 14 112.525 60.414 52.744 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.590 59.605 52.736 1.00 0.00 H new ATOM 0 HB3 LEU A 14 110.402 59.758 51.190 1.00 0.00 H new ATOM 0 HG LEU A 14 111.607 58.146 53.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 110.643 56.137 52.383 1.00 0.00 H new ATOM 0 HD12 LEU A 14 109.361 57.235 52.945 1.00 0.00 H new ATOM 0 HD13 LEU A 14 109.791 57.179 51.219 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.831 57.062 51.611 1.00 0.00 H new ATOM 0 HD22 LEU A 14 111.978 58.104 50.447 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.108 58.820 51.620 1.00 0.00 H new ATOM 218 N LEU A 15 110.076 62.527 52.131 1.00 0.00 N ATOM 219 CA LEU A 15 109.816 63.815 51.425 1.00 0.00 C ATOM 220 C LEU A 15 110.785 64.893 51.916 1.00 0.00 C ATOM 221 O LEU A 15 111.294 65.681 51.144 1.00 0.00 O ATOM 222 CB LEU A 15 108.374 64.179 51.781 1.00 0.00 C ATOM 223 CG LEU A 15 107.451 63.802 50.620 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.539 62.295 50.369 1.00 0.00 C ATOM 225 CD2 LEU A 15 106.010 64.178 50.972 1.00 0.00 C ATOM 0 H LEU A 15 109.274 62.130 52.621 1.00 0.00 H new ATOM 0 HA LEU A 15 109.958 63.732 50.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 108.069 63.656 52.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 108.298 65.246 51.988 1.00 0.00 H new ATOM 0 HG LEU A 15 107.757 64.339 49.722 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.882 62.025 49.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.566 62.027 50.119 1.00 0.00 H new ATOM 0 HD13 LEU A 15 107.232 61.758 51.267 1.00 0.00 H new ATOM 0 HD21 LEU A 15 105.352 63.910 50.146 1.00 0.00 H new ATOM 0 HD22 LEU A 15 105.703 63.641 51.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.948 65.251 51.152 1.00 0.00 H new ATOM 237 N GLN A 16 111.048 64.934 53.193 1.00 0.00 N ATOM 238 CA GLN A 16 111.988 65.962 53.725 1.00 0.00 C ATOM 239 C GLN A 16 113.335 65.854 53.006 1.00 0.00 C ATOM 240 O GLN A 16 113.952 66.847 52.674 1.00 0.00 O ATOM 241 CB GLN A 16 112.143 65.634 55.210 1.00 0.00 C ATOM 242 CG GLN A 16 111.830 66.878 56.043 1.00 0.00 C ATOM 243 CD GLN A 16 111.590 66.470 57.497 1.00 0.00 C ATOM 244 OE1 GLN A 16 112.184 65.528 57.982 1.00 0.00 O ATOM 245 NE2 GLN A 16 110.737 67.144 58.219 1.00 0.00 N ATOM 0 H GLN A 16 110.654 64.302 53.890 1.00 0.00 H new ATOM 0 HA GLN A 16 111.622 66.978 53.574 1.00 0.00 H new ATOM 0 HB2 GLN A 16 111.472 64.821 55.486 1.00 0.00 H new ATOM 0 HB3 GLN A 16 113.158 65.293 55.414 1.00 0.00 H new ATOM 0 HG2 GLN A 16 112.657 67.586 55.984 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.950 67.383 55.646 1.00 0.00 H new ATOM 0 HE21 GLN A 16 110.238 67.935 57.812 1.00 0.00 H new ATOM 0 HE22 GLN A 16 110.570 66.880 59.190 1.00 0.00 H new ATOM 254 N GLY A 17 113.791 64.656 52.751 1.00 0.00 N ATOM 255 CA GLY A 17 115.092 64.492 52.041 1.00 0.00 C ATOM 256 C GLY A 17 115.032 65.257 50.719 1.00 0.00 C ATOM 257 O GLY A 17 115.869 66.089 50.433 1.00 0.00 O ATOM 0 H GLY A 17 113.320 63.787 53.003 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.908 64.868 52.658 1.00 0.00 H new ATOM 0 HA3 GLY A 17 115.291 63.436 51.857 1.00 0.00 H new ATOM 261 N TYR A 18 114.036 64.990 49.918 1.00 0.00 N ATOM 262 CA TYR A 18 113.898 65.705 48.618 1.00 0.00 C ATOM 263 C TYR A 18 114.050 67.216 48.826 1.00 0.00 C ATOM 264 O TYR A 18 114.788 67.881 48.126 1.00 0.00 O ATOM 265 CB TYR A 18 112.480 65.375 48.151 1.00 0.00 C ATOM 266 CG TYR A 18 112.444 65.326 46.647 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.415 64.582 45.946 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.440 66.023 45.940 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.385 64.532 44.535 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.407 65.974 44.529 1.00 0.00 C ATOM 271 CZ TYR A 18 112.380 65.229 43.826 1.00 0.00 C ATOM 272 OH TYR A 18 112.349 65.181 42.448 1.00 0.00 O ATOM 0 H TYR A 18 113.308 64.302 50.110 1.00 0.00 H new ATOM 0 HA TYR A 18 114.656 65.406 47.894 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.164 64.417 48.564 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.781 66.127 48.518 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.182 64.050 46.489 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.697 66.593 46.478 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.129 63.962 43.998 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.638 66.506 43.988 1.00 0.00 H new ATOM 0 HH TYR A 18 112.718 66.012 42.083 1.00 0.00 H new ATOM 282 N THR A 19 113.353 67.756 49.785 1.00 0.00 N ATOM 283 CA THR A 19 113.446 69.219 50.052 1.00 0.00 C ATOM 284 C THR A 19 114.908 69.626 50.270 1.00 0.00 C ATOM 285 O THR A 19 115.313 70.723 49.933 1.00 0.00 O ATOM 286 CB THR A 19 112.627 69.426 51.329 1.00 0.00 C ATOM 287 OG1 THR A 19 111.261 69.139 51.061 1.00 0.00 O ATOM 288 CG2 THR A 19 112.761 70.870 51.806 1.00 0.00 C ATOM 0 H THR A 19 112.719 67.245 50.399 1.00 0.00 H new ATOM 0 HA THR A 19 113.076 69.823 49.224 1.00 0.00 H new ATOM 0 HB THR A 19 112.998 68.759 52.107 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.733 69.269 51.877 1.00 0.00 H new ATOM 0 HG21 THR A 19 112.175 71.009 52.715 1.00 0.00 H new ATOM 0 HG22 THR A 19 113.809 71.089 52.012 1.00 0.00 H new ATOM 0 HG23 THR A 19 112.395 71.544 51.032 1.00 0.00 H new ATOM 296 N VAL A 20 115.702 68.754 50.830 1.00 0.00 N ATOM 297 CA VAL A 20 117.134 69.093 51.071 1.00 0.00 C ATOM 298 C VAL A 20 117.955 68.900 49.792 1.00 0.00 C ATOM 299 O VAL A 20 118.993 69.506 49.612 1.00 0.00 O ATOM 300 CB VAL A 20 117.596 68.115 52.152 1.00 0.00 C ATOM 301 CG1 VAL A 20 119.078 68.349 52.452 1.00 0.00 C ATOM 302 CG2 VAL A 20 116.779 68.339 53.426 1.00 0.00 C ATOM 0 H VAL A 20 115.421 67.821 51.131 1.00 0.00 H new ATOM 0 HA VAL A 20 117.262 70.132 51.374 1.00 0.00 H new ATOM 0 HB VAL A 20 117.452 67.093 51.802 1.00 0.00 H new ATOM 0 HG11 VAL A 20 119.408 67.652 53.223 1.00 0.00 H new ATOM 0 HG12 VAL A 20 119.662 68.191 51.545 1.00 0.00 H new ATOM 0 HG13 VAL A 20 119.221 69.371 52.802 1.00 0.00 H new ATOM 0 HG21 VAL A 20 117.108 67.642 54.197 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.923 69.361 53.776 1.00 0.00 H new ATOM 0 HG23 VAL A 20 115.723 68.174 53.215 1.00 0.00 H new ATOM 312 N GLU A 21 117.499 68.062 48.902 1.00 0.00 N ATOM 313 CA GLU A 21 118.262 67.834 47.633 1.00 0.00 C ATOM 314 C GLU A 21 117.811 68.847 46.587 1.00 0.00 C ATOM 315 O GLU A 21 118.593 69.618 46.067 1.00 0.00 O ATOM 316 CB GLU A 21 117.919 66.414 47.140 1.00 0.00 C ATOM 317 CG GLU A 21 117.584 65.481 48.307 1.00 0.00 C ATOM 318 CD GLU A 21 118.126 64.083 48.016 1.00 0.00 C ATOM 319 OE1 GLU A 21 119.308 63.869 48.233 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.351 63.247 47.581 1.00 0.00 O ATOM 0 H GLU A 21 116.636 67.526 48.994 1.00 0.00 H new ATOM 0 HA GLU A 21 119.334 67.943 47.799 1.00 0.00 H new ATOM 0 HB2 GLU A 21 117.072 66.460 46.455 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.761 66.009 46.579 1.00 0.00 H new ATOM 0 HG2 GLU A 21 118.018 65.866 49.230 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.505 65.440 48.455 1.00 0.00 H new ATOM 327 N VAL A 22 116.547 68.842 46.278 1.00 0.00 N ATOM 328 CA VAL A 22 116.013 69.792 45.266 1.00 0.00 C ATOM 329 C VAL A 22 116.458 71.222 45.590 1.00 0.00 C ATOM 330 O VAL A 22 116.821 71.982 44.714 1.00 0.00 O ATOM 331 CB VAL A 22 114.496 69.657 45.379 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.830 70.548 44.339 1.00 0.00 C ATOM 333 CG2 VAL A 22 114.091 68.204 45.125 1.00 0.00 C ATOM 0 H VAL A 22 115.854 68.215 46.687 1.00 0.00 H new ATOM 0 HA VAL A 22 116.371 69.577 44.259 1.00 0.00 H new ATOM 0 HB VAL A 22 114.181 69.956 46.379 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.747 70.453 44.418 1.00 0.00 H new ATOM 0 HG12 VAL A 22 114.117 71.585 44.511 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.149 70.244 43.342 1.00 0.00 H new ATOM 0 HG21 VAL A 22 113.008 68.109 45.206 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.408 67.907 44.125 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.568 67.559 45.863 1.00 0.00 H new ATOM 343 N LEU A 23 116.437 71.595 46.842 1.00 0.00 N ATOM 344 CA LEU A 23 116.863 72.974 47.213 1.00 0.00 C ATOM 345 C LEU A 23 118.390 73.085 47.170 1.00 0.00 C ATOM 346 O LEU A 23 118.937 74.112 46.819 1.00 0.00 O ATOM 347 CB LEU A 23 116.351 73.179 48.640 1.00 0.00 C ATOM 348 CG LEU A 23 116.514 74.649 49.033 1.00 0.00 C ATOM 349 CD1 LEU A 23 115.316 75.451 48.522 1.00 0.00 C ATOM 350 CD2 LEU A 23 116.588 74.763 50.558 1.00 0.00 C ATOM 0 H LEU A 23 116.144 71.006 47.621 1.00 0.00 H new ATOM 0 HA LEU A 23 116.470 73.725 46.528 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.303 72.887 48.707 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.904 72.543 49.331 1.00 0.00 H new ATOM 0 HG LEU A 23 117.430 75.043 48.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 115.433 76.498 48.802 1.00 0.00 H new ATOM 0 HD12 LEU A 23 115.260 75.370 47.436 1.00 0.00 H new ATOM 0 HD13 LEU A 23 114.400 75.057 48.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 116.704 75.810 50.839 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.672 74.369 50.997 1.00 0.00 H new ATOM 0 HD23 LEU A 23 117.441 74.192 50.925 1.00 0.00 H new ATOM 362 N ARG A 24 119.082 72.037 47.525 1.00 0.00 N ATOM 363 CA ARG A 24 120.573 72.088 47.505 1.00 0.00 C ATOM 364 C ARG A 24 121.091 71.953 46.069 1.00 0.00 C ATOM 365 O ARG A 24 121.913 72.728 45.622 1.00 0.00 O ATOM 366 CB ARG A 24 121.024 70.896 48.352 1.00 0.00 C ATOM 367 CG ARG A 24 122.552 70.875 48.431 1.00 0.00 C ATOM 368 CD ARG A 24 122.998 71.288 49.836 1.00 0.00 C ATOM 369 NE ARG A 24 123.801 72.527 49.636 1.00 0.00 N ATOM 370 CZ ARG A 24 123.959 73.368 50.620 1.00 0.00 C ATOM 371 NH1 ARG A 24 122.982 74.163 50.962 1.00 0.00 N ATOM 372 NH2 ARG A 24 125.093 73.415 51.264 1.00 0.00 N ATOM 0 H ARG A 24 118.681 71.149 47.828 1.00 0.00 H new ATOM 0 HA ARG A 24 120.957 73.032 47.893 1.00 0.00 H new ATOM 0 HB2 ARG A 24 120.598 70.966 49.353 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.659 69.967 47.915 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.925 69.877 48.198 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.974 71.554 47.690 1.00 0.00 H new ATOM 0 HD2 ARG A 24 122.141 71.473 50.484 1.00 0.00 H new ATOM 0 HD3 ARG A 24 123.591 70.505 50.308 1.00 0.00 H new ATOM 0 HE ARG A 24 124.227 72.717 48.729 1.00 0.00 H new ATOM 0 HH11 ARG A 24 122.095 74.126 50.460 1.00 0.00 H new ATOM 0 HH12 ARG A 24 123.105 74.821 51.732 1.00 0.00 H new ATOM 0 HH21 ARG A 24 125.857 72.794 50.998 1.00 0.00 H new ATOM 0 HH22 ARG A 24 125.216 74.073 52.034 1.00 0.00 H new ATOM 386 N GLN A 25 120.620 70.975 45.345 1.00 0.00 N ATOM 387 CA GLN A 25 121.090 70.793 43.940 1.00 0.00 C ATOM 388 C GLN A 25 120.438 71.830 43.022 1.00 0.00 C ATOM 389 O GLN A 25 121.053 72.336 42.104 1.00 0.00 O ATOM 390 CB GLN A 25 120.649 69.381 43.554 1.00 0.00 C ATOM 391 CG GLN A 25 121.461 68.357 44.351 1.00 0.00 C ATOM 392 CD GLN A 25 122.829 68.170 43.693 1.00 0.00 C ATOM 393 OE1 GLN A 25 123.806 68.754 44.117 1.00 0.00 O ATOM 394 NE2 GLN A 25 122.940 67.373 42.665 1.00 0.00 N ATOM 0 H GLN A 25 119.931 70.294 45.664 1.00 0.00 H new ATOM 0 HA GLN A 25 122.168 70.923 43.847 1.00 0.00 H new ATOM 0 HB2 GLN A 25 119.585 69.253 43.755 1.00 0.00 H new ATOM 0 HB3 GLN A 25 120.793 69.223 42.485 1.00 0.00 H new ATOM 0 HG2 GLN A 25 121.583 68.695 45.380 1.00 0.00 H new ATOM 0 HG3 GLN A 25 120.930 67.406 44.389 1.00 0.00 H new ATOM 0 HE21 GLN A 25 122.120 66.883 42.309 1.00 0.00 H new ATOM 0 HE22 GLN A 25 123.847 67.241 42.218 1.00 0.00 H new ATOM 403 N GLN A 26 119.197 72.151 43.263 1.00 0.00 N ATOM 404 CA GLN A 26 118.505 73.156 42.406 1.00 0.00 C ATOM 405 C GLN A 26 118.620 72.763 40.926 1.00 0.00 C ATOM 406 O GLN A 26 119.060 73.549 40.111 1.00 0.00 O ATOM 407 CB GLN A 26 119.237 74.473 42.673 1.00 0.00 C ATOM 408 CG GLN A 26 118.310 75.431 43.425 1.00 0.00 C ATOM 409 CD GLN A 26 118.925 76.833 43.436 1.00 0.00 C ATOM 410 OE1 GLN A 26 119.488 77.253 44.427 1.00 0.00 O ATOM 411 NE2 GLN A 26 118.842 77.577 42.368 1.00 0.00 N ATOM 0 H GLN A 26 118.631 71.761 44.017 1.00 0.00 H new ATOM 0 HA GLN A 26 117.441 73.228 42.630 1.00 0.00 H new ATOM 0 HB2 GLN A 26 120.138 74.288 43.258 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.555 74.922 41.732 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.330 75.456 42.948 1.00 0.00 H new ATOM 0 HG3 GLN A 26 118.158 75.081 44.446 1.00 0.00 H new ATOM 0 HE21 GLN A 26 118.369 77.224 41.536 1.00 0.00 H new ATOM 0 HE22 GLN A 26 119.250 78.512 42.365 1.00 0.00 H new ATOM 420 N PRO A 27 118.215 71.553 40.624 1.00 0.00 N ATOM 421 CA PRO A 27 118.276 71.063 39.224 1.00 0.00 C ATOM 422 C PRO A 27 117.237 71.785 38.357 1.00 0.00 C ATOM 423 O PRO A 27 116.259 72.298 38.865 1.00 0.00 O ATOM 424 CB PRO A 27 117.943 69.578 39.348 1.00 0.00 C ATOM 425 CG PRO A 27 117.156 69.467 40.613 1.00 0.00 C ATOM 426 CD PRO A 27 117.671 70.539 41.536 1.00 0.00 C ATOM 0 HA PRO A 27 119.242 71.240 38.751 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.366 69.229 38.491 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.848 68.972 39.391 1.00 0.00 H new ATOM 0 HG2 PRO A 27 116.092 69.601 40.420 1.00 0.00 H new ATOM 0 HG3 PRO A 27 117.278 68.480 41.060 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.875 70.947 42.159 1.00 0.00 H new ATOM 0 HD3 PRO A 27 118.437 70.154 42.209 1.00 0.00 H new ATOM 434 N PRO A 28 117.481 71.804 37.069 1.00 0.00 N ATOM 435 CA PRO A 28 116.547 72.474 36.132 1.00 0.00 C ATOM 436 C PRO A 28 115.259 71.658 35.987 1.00 0.00 C ATOM 437 O PRO A 28 114.187 72.198 35.798 1.00 0.00 O ATOM 438 CB PRO A 28 117.319 72.504 34.815 1.00 0.00 C ATOM 439 CG PRO A 28 118.290 71.372 34.912 1.00 0.00 C ATOM 440 CD PRO A 28 118.631 71.215 36.370 1.00 0.00 C ATOM 0 HA PRO A 28 116.244 73.466 36.467 1.00 0.00 H new ATOM 0 HB2 PRO A 28 116.651 72.379 33.963 1.00 0.00 H new ATOM 0 HB3 PRO A 28 117.834 73.455 34.680 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.855 70.454 34.516 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.185 71.579 34.326 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.767 70.167 36.638 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.558 71.731 36.621 1.00 0.00 H new ATOM 448 N ASP A 29 115.357 70.359 36.071 1.00 0.00 N ATOM 449 CA ASP A 29 114.141 69.508 35.935 1.00 0.00 C ATOM 450 C ASP A 29 113.928 68.679 37.206 1.00 0.00 C ATOM 451 O ASP A 29 114.787 67.925 37.618 1.00 0.00 O ATOM 452 CB ASP A 29 114.430 68.596 34.741 1.00 0.00 C ATOM 453 CG ASP A 29 114.478 69.427 33.455 1.00 0.00 C ATOM 454 OD1 ASP A 29 114.497 70.643 33.556 1.00 0.00 O ATOM 455 OD2 ASP A 29 114.496 68.831 32.391 1.00 0.00 O ATOM 0 H ASP A 29 116.227 69.850 36.228 1.00 0.00 H new ATOM 0 HA ASP A 29 113.237 70.099 35.788 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.379 68.080 34.887 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.659 67.830 34.662 1.00 0.00 H new ATOM 460 N LEU A 30 112.788 68.812 37.830 1.00 0.00 N ATOM 461 CA LEU A 30 112.519 68.032 39.072 1.00 0.00 C ATOM 462 C LEU A 30 111.967 66.649 38.716 1.00 0.00 C ATOM 463 O LEU A 30 112.273 65.663 39.356 1.00 0.00 O ATOM 464 CB LEU A 30 111.474 68.848 39.833 1.00 0.00 C ATOM 465 CG LEU A 30 111.195 68.190 41.185 1.00 0.00 C ATOM 466 CD1 LEU A 30 112.265 68.616 42.193 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.818 68.628 41.689 1.00 0.00 C ATOM 0 H LEU A 30 112.031 69.428 37.533 1.00 0.00 H new ATOM 0 HA LEU A 30 113.420 67.872 39.664 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.830 69.868 39.980 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.554 68.912 39.252 1.00 0.00 H new ATOM 0 HG LEU A 30 111.215 67.106 41.072 1.00 0.00 H new ATOM 0 HD11 LEU A 30 112.065 68.146 43.156 1.00 0.00 H new ATOM 0 HD12 LEU A 30 113.247 68.306 41.835 1.00 0.00 H new ATOM 0 HD13 LEU A 30 112.247 69.700 42.307 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.617 68.160 42.653 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.800 69.712 41.801 1.00 0.00 H new ATOM 0 HD23 LEU A 30 109.055 68.324 40.972 1.00 0.00 H new ATOM 479 N VAL A 31 111.159 66.568 37.693 1.00 0.00 N ATOM 480 CA VAL A 31 110.589 65.248 37.289 1.00 0.00 C ATOM 481 C VAL A 31 111.712 64.220 37.138 1.00 0.00 C ATOM 482 O VAL A 31 111.720 63.189 37.781 1.00 0.00 O ATOM 483 CB VAL A 31 109.928 65.501 35.936 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.228 64.227 35.462 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.898 66.625 36.076 1.00 0.00 C ATOM 0 H VAL A 31 110.868 67.359 37.119 1.00 0.00 H new ATOM 0 HA VAL A 31 109.885 64.859 38.025 1.00 0.00 H new ATOM 0 HB VAL A 31 110.688 65.789 35.209 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.757 64.409 34.496 1.00 0.00 H new ATOM 0 HG12 VAL A 31 109.960 63.425 35.363 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.468 63.938 36.188 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.425 66.807 35.111 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.139 66.335 36.803 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.395 67.534 36.414 1.00 0.00 H new ATOM 495 N ASP A 32 112.657 64.503 36.291 1.00 0.00 N ATOM 496 CA ASP A 32 113.788 63.559 36.085 1.00 0.00 C ATOM 497 C ASP A 32 114.577 63.392 37.386 1.00 0.00 C ATOM 498 O ASP A 32 115.036 62.314 37.709 1.00 0.00 O ATOM 499 CB ASP A 32 114.645 64.222 35.010 1.00 0.00 C ATOM 500 CG ASP A 32 115.436 63.154 34.250 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.069 61.994 34.342 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.396 63.515 33.588 1.00 0.00 O ATOM 0 H ASP A 32 112.696 65.353 35.728 1.00 0.00 H new ATOM 0 HA ASP A 32 113.459 62.562 35.790 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.012 64.780 34.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.328 64.938 35.466 1.00 0.00 H new ATOM 507 N PHE A 33 114.732 64.447 38.138 1.00 0.00 N ATOM 508 CA PHE A 33 115.487 64.338 39.417 1.00 0.00 C ATOM 509 C PHE A 33 114.730 63.429 40.390 1.00 0.00 C ATOM 510 O PHE A 33 115.310 62.591 41.051 1.00 0.00 O ATOM 511 CB PHE A 33 115.563 65.764 39.962 1.00 0.00 C ATOM 512 CG PHE A 33 116.311 65.761 41.272 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.696 65.482 41.293 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.627 66.033 42.478 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.396 65.476 42.520 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.328 66.026 43.705 1.00 0.00 C ATOM 517 CZ PHE A 33 117.713 65.748 43.726 1.00 0.00 C ATOM 0 H PHE A 33 114.370 65.376 37.923 1.00 0.00 H new ATOM 0 HA PHE A 33 116.479 63.908 39.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.066 66.413 39.245 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.559 66.164 40.105 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.219 65.273 40.371 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.568 66.246 42.462 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.455 65.263 42.536 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.805 66.233 44.627 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.249 65.743 44.664 1.00 0.00 H new ATOM 527 N ALA A 34 113.438 63.588 40.476 1.00 0.00 N ATOM 528 CA ALA A 34 112.643 62.731 41.401 1.00 0.00 C ATOM 529 C ALA A 34 112.848 61.254 41.055 1.00 0.00 C ATOM 530 O ALA A 34 112.923 60.408 41.923 1.00 0.00 O ATOM 531 CB ALA A 34 111.188 63.139 41.168 1.00 0.00 C ATOM 0 H ALA A 34 112.899 64.273 39.947 1.00 0.00 H new ATOM 0 HA ALA A 34 112.939 62.859 42.442 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.537 62.551 41.815 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.066 64.198 41.397 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.922 62.960 40.126 1.00 0.00 H new ATOM 537 N VAL A 35 112.940 60.937 39.791 1.00 0.00 N ATOM 538 CA VAL A 35 113.139 59.522 39.391 1.00 0.00 C ATOM 539 C VAL A 35 114.543 59.053 39.781 1.00 0.00 C ATOM 540 O VAL A 35 114.713 58.023 40.399 1.00 0.00 O ATOM 541 CB VAL A 35 112.976 59.529 37.874 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.189 58.119 37.334 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.567 60.002 37.518 1.00 0.00 C ATOM 0 H VAL A 35 112.885 61.602 39.019 1.00 0.00 H new ATOM 0 HA VAL A 35 112.437 58.846 39.879 1.00 0.00 H new ATOM 0 HB VAL A 35 113.710 60.203 37.432 1.00 0.00 H new ATOM 0 HG11 VAL A 35 113.073 58.123 36.250 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.192 57.779 37.590 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.454 57.446 37.775 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.448 60.008 36.435 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.834 59.327 37.960 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.413 61.009 37.905 1.00 0.00 H new ATOM 553 N GLU A 36 115.549 59.804 39.424 1.00 0.00 N ATOM 554 CA GLU A 36 116.943 59.402 39.771 1.00 0.00 C ATOM 555 C GLU A 36 117.106 59.287 41.290 1.00 0.00 C ATOM 556 O GLU A 36 117.948 58.560 41.779 1.00 0.00 O ATOM 557 CB GLU A 36 117.823 60.523 39.221 1.00 0.00 C ATOM 558 CG GLU A 36 117.781 60.500 37.692 1.00 0.00 C ATOM 559 CD GLU A 36 119.184 60.229 37.147 1.00 0.00 C ATOM 560 OE1 GLU A 36 120.132 60.715 37.740 1.00 0.00 O ATOM 561 OE2 GLU A 36 119.286 59.540 36.145 1.00 0.00 O ATOM 0 H GLU A 36 115.466 60.679 38.907 1.00 0.00 H new ATOM 0 HA GLU A 36 117.207 58.430 39.354 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.475 61.488 39.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.848 60.399 39.569 1.00 0.00 H new ATOM 0 HG2 GLU A 36 117.091 59.730 37.348 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.410 61.452 37.313 1.00 0.00 H new ATOM 568 N TYR A 37 116.312 60.000 42.041 1.00 0.00 N ATOM 569 CA TYR A 37 116.428 59.929 43.525 1.00 0.00 C ATOM 570 C TYR A 37 115.813 58.625 44.045 1.00 0.00 C ATOM 571 O TYR A 37 116.503 57.751 44.531 1.00 0.00 O ATOM 572 CB TYR A 37 115.647 61.141 44.040 1.00 0.00 C ATOM 573 CG TYR A 37 115.555 61.088 45.549 1.00 0.00 C ATOM 574 CD1 TYR A 37 116.689 60.741 46.317 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.331 61.384 46.191 1.00 0.00 C ATOM 576 CE1 TYR A 37 116.600 60.689 47.726 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.242 61.332 47.601 1.00 0.00 C ATOM 578 CZ TYR A 37 115.377 60.984 48.367 1.00 0.00 C ATOM 579 OH TYR A 37 115.289 60.933 49.744 1.00 0.00 O ATOM 0 H TYR A 37 115.588 60.628 41.691 1.00 0.00 H new ATOM 0 HA TYR A 37 117.465 59.941 43.861 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.140 62.062 43.729 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.647 61.152 43.606 1.00 0.00 H new ATOM 0 HD1 TYR A 37 117.624 60.515 45.827 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.464 61.650 45.605 1.00 0.00 H new ATOM 0 HE1 TYR A 37 117.467 60.424 48.313 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.307 61.558 48.092 1.00 0.00 H new ATOM 0 HH TYR A 37 114.378 61.165 50.022 1.00 0.00 H new ATOM 589 N PHE A 38 114.519 58.493 43.953 1.00 0.00 N ATOM 590 CA PHE A 38 113.857 57.253 44.449 1.00 0.00 C ATOM 591 C PHE A 38 114.426 56.019 43.744 1.00 0.00 C ATOM 592 O PHE A 38 114.773 55.040 44.374 1.00 0.00 O ATOM 593 CB PHE A 38 112.378 57.433 44.110 1.00 0.00 C ATOM 594 CG PHE A 38 111.750 58.381 45.102 1.00 0.00 C ATOM 595 CD1 PHE A 38 111.574 57.981 46.445 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.338 59.667 44.687 1.00 0.00 C ATOM 597 CE1 PHE A 38 110.985 58.868 47.374 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.749 60.554 45.616 1.00 0.00 C ATOM 599 CZ PHE A 38 110.572 60.154 46.960 1.00 0.00 C ATOM 0 H PHE A 38 113.890 59.191 43.555 1.00 0.00 H new ATOM 0 HA PHE A 38 114.017 57.102 45.517 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.270 57.824 43.098 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.867 56.470 44.136 1.00 0.00 H new ATOM 0 HD1 PHE A 38 111.889 56.998 46.762 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.473 59.972 43.660 1.00 0.00 H new ATOM 0 HE1 PHE A 38 110.850 58.563 48.401 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.434 61.537 45.299 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.121 60.831 47.670 1.00 0.00 H new ATOM 609 N THR A 39 114.530 56.056 42.442 1.00 0.00 N ATOM 610 CA THR A 39 115.081 54.880 41.706 1.00 0.00 C ATOM 611 C THR A 39 116.418 54.455 42.322 1.00 0.00 C ATOM 612 O THR A 39 116.660 53.288 42.559 1.00 0.00 O ATOM 613 CB THR A 39 115.281 55.364 40.270 1.00 0.00 C ATOM 614 OG1 THR A 39 114.022 55.699 39.705 1.00 0.00 O ATOM 615 CG2 THR A 39 115.935 54.257 39.442 1.00 0.00 C ATOM 0 H THR A 39 114.258 56.847 41.858 1.00 0.00 H new ATOM 0 HA THR A 39 114.418 54.016 41.752 1.00 0.00 H new ATOM 0 HB THR A 39 115.925 56.243 40.270 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.825 56.643 39.882 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.077 54.604 38.418 1.00 0.00 H new ATOM 0 HG22 THR A 39 116.902 54.001 39.876 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.293 53.376 39.441 1.00 0.00 H new ATOM 623 N ARG A 40 117.281 55.395 42.594 1.00 0.00 N ATOM 624 CA ARG A 40 118.593 55.044 43.205 1.00 0.00 C ATOM 625 C ARG A 40 118.393 54.679 44.678 1.00 0.00 C ATOM 626 O ARG A 40 119.154 53.926 45.252 1.00 0.00 O ATOM 627 CB ARG A 40 119.446 56.306 43.075 1.00 0.00 C ATOM 628 CG ARG A 40 120.867 56.016 43.564 1.00 0.00 C ATOM 629 CD ARG A 40 121.862 56.872 42.779 1.00 0.00 C ATOM 630 NE ARG A 40 122.401 57.842 43.773 1.00 0.00 N ATOM 631 CZ ARG A 40 122.639 59.075 43.418 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.553 59.332 42.523 1.00 0.00 N ATOM 633 NH2 ARG A 40 121.961 60.052 43.958 1.00 0.00 N ATOM 0 H ARG A 40 117.134 56.389 42.420 1.00 0.00 H new ATOM 0 HA ARG A 40 119.064 54.189 42.720 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.468 56.637 42.037 1.00 0.00 H new ATOM 0 HB3 ARG A 40 119.008 57.116 43.659 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.947 56.231 44.629 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.099 54.959 43.434 1.00 0.00 H new ATOM 0 HD2 ARG A 40 122.657 56.261 42.352 1.00 0.00 H new ATOM 0 HD3 ARG A 40 121.374 57.385 41.951 1.00 0.00 H new ATOM 0 HE ARG A 40 122.584 57.542 44.731 1.00 0.00 H new ATOM 0 HH11 ARG A 40 124.082 58.569 42.100 1.00 0.00 H new ATOM 0 HH12 ARG A 40 123.739 60.296 42.246 1.00 0.00 H new ATOM 0 HH21 ARG A 40 121.246 59.851 44.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 122.147 61.016 43.681 1.00 0.00 H new ATOM 647 N LEU A 41 117.365 55.203 45.293 1.00 0.00 N ATOM 648 CA LEU A 41 117.107 54.882 46.726 1.00 0.00 C ATOM 649 C LEU A 41 117.063 53.365 46.921 1.00 0.00 C ATOM 650 O LEU A 41 117.511 52.841 47.922 1.00 0.00 O ATOM 651 CB LEU A 41 115.742 55.501 47.033 1.00 0.00 C ATOM 652 CG LEU A 41 115.728 56.025 48.470 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.284 57.450 48.500 1.00 0.00 C ATOM 654 CD2 LEU A 41 114.291 56.029 48.995 1.00 0.00 C ATOM 0 H LEU A 41 116.693 55.839 44.864 1.00 0.00 H new ATOM 0 HA LEU A 41 117.885 55.268 47.384 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.535 56.314 46.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 114.956 54.758 46.898 1.00 0.00 H new ATOM 0 HG LEU A 41 116.345 55.381 49.097 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.274 57.823 49.524 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.307 57.449 48.124 1.00 0.00 H new ATOM 0 HD13 LEU A 41 115.668 58.094 47.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 114.279 56.402 50.019 1.00 0.00 H new ATOM 0 HD22 LEU A 41 113.676 56.673 48.367 1.00 0.00 H new ATOM 0 HD23 LEU A 41 113.893 55.014 48.974 1.00 0.00 H new ATOM 666 N ARG A 42 116.527 52.655 45.965 1.00 0.00 N ATOM 667 CA ARG A 42 116.452 51.171 46.087 1.00 0.00 C ATOM 668 C ARG A 42 117.858 50.583 46.232 1.00 0.00 C ATOM 669 O ARG A 42 118.092 49.692 47.023 1.00 0.00 O ATOM 670 CB ARG A 42 115.810 50.698 44.783 1.00 0.00 C ATOM 671 CG ARG A 42 114.419 50.132 45.071 1.00 0.00 C ATOM 672 CD ARG A 42 113.368 50.960 44.326 1.00 0.00 C ATOM 673 NE ARG A 42 113.701 50.803 42.882 1.00 0.00 N ATOM 674 CZ ARG A 42 113.626 49.627 42.316 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.517 48.942 42.379 1.00 0.00 N ATOM 676 NH2 ARG A 42 114.660 49.137 41.688 1.00 0.00 N ATOM 0 H ARG A 42 116.138 53.039 45.104 1.00 0.00 H new ATOM 0 HA ARG A 42 115.881 50.857 46.961 1.00 0.00 H new ATOM 0 HB2 ARG A 42 115.737 51.528 44.080 1.00 0.00 H new ATOM 0 HB3 ARG A 42 116.433 49.937 44.314 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.366 49.090 44.757 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.221 50.152 46.143 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.361 50.602 44.539 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.405 52.007 44.627 1.00 0.00 H new ATOM 0 HE ARG A 42 113.988 51.614 42.334 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.709 49.324 42.870 1.00 0.00 H new ATOM 0 HH12 ARG A 42 112.459 48.024 41.937 1.00 0.00 H new ATOM 0 HH21 ARG A 42 115.527 49.672 41.639 1.00 0.00 H new ATOM 0 HH22 ARG A 42 114.601 48.219 41.247 1.00 0.00 H new ATOM 690 N GLU A 43 118.796 51.077 45.470 1.00 0.00 N ATOM 691 CA GLU A 43 120.186 50.548 45.559 1.00 0.00 C ATOM 692 C GLU A 43 120.957 51.254 46.680 1.00 0.00 C ATOM 693 O GLU A 43 121.989 50.789 47.121 1.00 0.00 O ATOM 694 CB GLU A 43 120.815 50.855 44.200 1.00 0.00 C ATOM 695 CG GLU A 43 120.541 49.698 43.237 1.00 0.00 C ATOM 696 CD GLU A 43 121.664 48.664 43.348 1.00 0.00 C ATOM 697 OE1 GLU A 43 122.816 49.063 43.300 1.00 0.00 O ATOM 698 OE2 GLU A 43 121.352 47.492 43.477 1.00 0.00 O ATOM 0 H GLU A 43 118.659 51.824 44.790 1.00 0.00 H new ATOM 0 HA GLU A 43 120.205 49.482 45.787 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.404 51.781 43.798 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.889 51.004 44.310 1.00 0.00 H new ATOM 0 HG2 GLU A 43 119.582 49.236 43.471 1.00 0.00 H new ATOM 0 HG3 GLU A 43 120.474 50.070 42.215 1.00 0.00 H new ATOM 705 N ALA A 44 120.468 52.370 47.146 1.00 0.00 N ATOM 706 CA ALA A 44 121.182 53.094 48.239 1.00 0.00 C ATOM 707 C ALA A 44 121.381 52.170 49.437 1.00 0.00 C ATOM 708 O ALA A 44 122.488 51.798 49.775 1.00 0.00 O ATOM 709 CB ALA A 44 120.260 54.247 48.629 1.00 0.00 C ATOM 0 H ALA A 44 119.608 52.812 46.820 1.00 0.00 H new ATOM 0 HA ALA A 44 122.165 53.440 47.920 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.720 54.826 49.430 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.096 54.890 47.764 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.305 53.849 48.971 1.00 0.00 H new ATOM 715 N ARG A 45 120.312 51.811 50.090 1.00 0.00 N ATOM 716 CA ARG A 45 120.421 50.924 51.281 1.00 0.00 C ATOM 717 C ARG A 45 121.317 49.718 50.982 1.00 0.00 C ATOM 718 O ARG A 45 122.173 49.357 51.765 1.00 0.00 O ATOM 719 CB ARG A 45 118.990 50.468 51.566 1.00 0.00 C ATOM 720 CG ARG A 45 118.744 50.457 53.075 1.00 0.00 C ATOM 721 CD ARG A 45 118.698 51.895 53.597 1.00 0.00 C ATOM 722 NE ARG A 45 119.426 51.856 54.896 1.00 0.00 N ATOM 723 CZ ARG A 45 118.759 51.827 56.017 1.00 0.00 C ATOM 724 NH1 ARG A 45 117.978 50.818 56.285 1.00 0.00 N ATOM 725 NH2 ARG A 45 118.876 52.808 56.870 1.00 0.00 N ATOM 0 H ARG A 45 119.363 52.095 49.849 1.00 0.00 H new ATOM 0 HA ARG A 45 120.867 51.439 52.132 1.00 0.00 H new ATOM 0 HB2 ARG A 45 118.281 51.136 51.077 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.826 49.472 51.154 1.00 0.00 H new ATOM 0 HG2 ARG A 45 117.806 49.948 53.297 1.00 0.00 H new ATOM 0 HG3 ARG A 45 119.535 49.901 53.579 1.00 0.00 H new ATOM 0 HD2 ARG A 45 119.173 52.584 52.899 1.00 0.00 H new ATOM 0 HD3 ARG A 45 117.671 52.234 53.730 1.00 0.00 H new ATOM 0 HE ARG A 45 120.446 51.852 54.909 1.00 0.00 H new ATOM 0 HH11 ARG A 45 117.888 50.051 55.618 1.00 0.00 H new ATOM 0 HH12 ARG A 45 117.457 50.795 57.161 1.00 0.00 H new ATOM 0 HH21 ARG A 45 119.488 53.596 56.660 1.00 0.00 H new ATOM 0 HH22 ARG A 45 118.355 52.786 57.747 1.00 0.00 H new ATOM 739 N ARG A 46 121.123 49.092 49.856 1.00 0.00 N ATOM 740 CA ARG A 46 121.958 47.907 49.505 1.00 0.00 C ATOM 741 C ARG A 46 123.354 48.352 49.056 1.00 0.00 C ATOM 742 O ARG A 46 123.457 49.420 48.478 1.00 0.00 O ATOM 743 CB ARG A 46 121.216 47.225 48.354 1.00 0.00 C ATOM 744 CG ARG A 46 121.621 45.750 48.288 1.00 0.00 C ATOM 745 CD ARG A 46 120.777 45.035 47.229 1.00 0.00 C ATOM 746 NE ARG A 46 119.395 45.026 47.782 1.00 0.00 N ATOM 747 CZ ARG A 46 119.127 44.337 48.857 1.00 0.00 C ATOM 748 NH1 ARG A 46 118.920 43.051 48.774 1.00 0.00 N ATOM 749 NH2 ARG A 46 119.066 44.934 50.017 1.00 0.00 N ATOM 750 OXT ARG A 46 124.295 47.616 49.300 1.00 0.00 O ATOM 0 H ARG A 46 120.422 49.349 49.161 1.00 0.00 H new ATOM 0 HA ARG A 46 122.098 47.237 50.354 1.00 0.00 H new ATOM 0 HB2 ARG A 46 120.139 47.311 48.500 1.00 0.00 H new ATOM 0 HB3 ARG A 46 121.451 47.720 47.412 1.00 0.00 H new ATOM 0 HG2 ARG A 46 122.680 45.663 48.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 121.479 45.279 49.261 1.00 0.00 H new ATOM 0 HD2 ARG A 46 120.817 45.558 46.273 1.00 0.00 H new ATOM 0 HD3 ARG A 46 121.139 44.022 47.053 1.00 0.00 H new ATOM 0 HE ARG A 46 118.658 45.558 47.320 1.00 0.00 H new ATOM 0 HH11 ARG A 46 118.968 42.584 47.868 1.00 0.00 H new ATOM 0 HH12 ARG A 46 118.711 42.513 49.615 1.00 0.00 H new ATOM 0 HH21 ARG A 46 119.228 45.939 50.083 1.00 0.00 H new ATOM 0 HH22 ARG A 46 118.856 44.395 50.857 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 129.375 79.683 54.315 1.00 0.00 N ATOM 766 CA HIS B 1 128.526 79.684 55.543 1.00 0.00 C ATOM 767 C HIS B 1 127.271 80.529 55.314 1.00 0.00 C ATOM 768 O HIS B 1 127.057 81.531 55.967 1.00 0.00 O ATOM 769 CB HIS B 1 129.402 80.308 56.629 1.00 0.00 C ATOM 770 CG HIS B 1 129.176 79.589 57.931 1.00 0.00 C ATOM 771 ND1 HIS B 1 127.913 79.431 58.479 1.00 0.00 N ATOM 772 CD2 HIS B 1 130.042 78.983 58.807 1.00 0.00 C ATOM 773 CE1 HIS B 1 128.053 78.754 59.634 1.00 0.00 C ATOM 774 NE2 HIS B 1 129.331 78.457 59.881 1.00 0.00 N ATOM 0 H1 HIS B 1 130.225 79.107 54.481 1.00 0.00 H new ATOM 0 H2 HIS B 1 128.836 79.284 53.520 1.00 0.00 H new ATOM 0 H3 HIS B 1 129.657 80.658 54.087 1.00 0.00 H new ATOM 0 HA HIS B 1 128.191 78.683 55.816 1.00 0.00 H new ATOM 0 HB2 HIS B 1 130.452 80.245 56.344 1.00 0.00 H new ATOM 0 HB3 HIS B 1 129.164 81.366 56.740 1.00 0.00 H new ATOM 0 HD2 HIS B 1 131.113 78.924 58.681 1.00 0.00 H new ATOM 0 HE1 HIS B 1 127.232 78.484 60.282 1.00 0.00 H new ATOM 0 HE2 HIS B 1 129.706 77.953 60.685 1.00 0.00 H new ATOM 784 N MET B 2 126.438 80.132 54.392 1.00 0.00 N ATOM 785 CA MET B 2 125.196 80.914 54.123 1.00 0.00 C ATOM 786 C MET B 2 123.967 80.124 54.580 1.00 0.00 C ATOM 787 O MET B 2 123.555 79.174 53.945 1.00 0.00 O ATOM 788 CB MET B 2 125.174 81.112 52.606 1.00 0.00 C ATOM 789 CG MET B 2 125.543 82.559 52.276 1.00 0.00 C ATOM 790 SD MET B 2 124.984 82.958 50.601 1.00 0.00 S ATOM 791 CE MET B 2 126.557 82.656 49.759 1.00 0.00 C ATOM 0 H MET B 2 126.562 79.301 53.813 1.00 0.00 H new ATOM 0 HA MET B 2 125.180 81.864 54.658 1.00 0.00 H new ATOM 0 HB2 MET B 2 125.876 80.428 52.129 1.00 0.00 H new ATOM 0 HB3 MET B 2 124.185 80.879 52.212 1.00 0.00 H new ATOM 0 HG2 MET B 2 125.082 83.236 52.995 1.00 0.00 H new ATOM 0 HG3 MET B 2 126.621 82.697 52.353 1.00 0.00 H new ATOM 0 HE1 MET B 2 126.441 82.845 48.692 1.00 0.00 H new ATOM 0 HE2 MET B 2 127.320 83.320 50.164 1.00 0.00 H new ATOM 0 HE3 MET B 2 126.859 81.620 49.913 1.00 0.00 H new ATOM 801 N GLY B 3 123.377 80.512 55.678 1.00 0.00 N ATOM 802 CA GLY B 3 122.175 79.785 56.174 1.00 0.00 C ATOM 803 C GLY B 3 120.913 80.544 55.763 1.00 0.00 C ATOM 804 O GLY B 3 120.535 81.520 56.378 1.00 0.00 O ATOM 0 H GLY B 3 123.676 81.300 56.252 1.00 0.00 H new ATOM 0 HA2 GLY B 3 122.154 78.775 55.765 1.00 0.00 H new ATOM 0 HA3 GLY B 3 122.217 79.689 57.259 1.00 0.00 H new ATOM 808 N HIS B 4 120.255 80.102 54.725 1.00 0.00 N ATOM 809 CA HIS B 4 119.016 80.800 54.276 1.00 0.00 C ATOM 810 C HIS B 4 117.993 79.784 53.758 1.00 0.00 C ATOM 811 O HIS B 4 118.345 78.725 53.278 1.00 0.00 O ATOM 812 CB HIS B 4 119.472 81.728 53.148 1.00 0.00 C ATOM 813 CG HIS B 4 118.662 82.994 53.182 1.00 0.00 C ATOM 814 ND1 HIS B 4 119.084 84.124 53.864 1.00 0.00 N ATOM 815 CD2 HIS B 4 117.454 83.325 52.620 1.00 0.00 C ATOM 816 CE1 HIS B 4 118.145 85.074 53.697 1.00 0.00 C ATOM 817 NE2 HIS B 4 117.129 84.638 52.946 1.00 0.00 N ATOM 0 H HIS B 4 120.521 79.289 54.169 1.00 0.00 H new ATOM 0 HA HIS B 4 118.534 81.349 55.085 1.00 0.00 H new ATOM 0 HB2 HIS B 4 120.532 81.959 53.258 1.00 0.00 H new ATOM 0 HB3 HIS B 4 119.352 81.233 52.184 1.00 0.00 H new ATOM 0 HD2 HIS B 4 116.848 82.666 52.016 1.00 0.00 H new ATOM 0 HE1 HIS B 4 118.205 86.067 54.118 1.00 0.00 H new ATOM 0 HE2 HIS B 4 116.295 85.156 52.671 1.00 0.00 H new ATOM 825 N ILE B 5 116.731 80.099 53.852 1.00 0.00 N ATOM 826 CA ILE B 5 115.687 79.151 53.365 1.00 0.00 C ATOM 827 C ILE B 5 114.844 79.806 52.266 1.00 0.00 C ATOM 828 O ILE B 5 114.658 81.007 52.247 1.00 0.00 O ATOM 829 CB ILE B 5 114.829 78.839 54.594 1.00 0.00 C ATOM 830 CG1 ILE B 5 113.784 77.781 54.230 1.00 0.00 C ATOM 831 CG2 ILE B 5 114.122 80.109 55.070 1.00 0.00 C ATOM 832 CD1 ILE B 5 114.306 76.396 54.612 1.00 0.00 C ATOM 0 H ILE B 5 116.376 80.971 54.245 1.00 0.00 H new ATOM 0 HA ILE B 5 116.119 78.248 52.932 1.00 0.00 H new ATOM 0 HB ILE B 5 115.469 78.463 55.392 1.00 0.00 H new ATOM 0 HG12 ILE B 5 112.848 77.985 54.750 1.00 0.00 H new ATOM 0 HG13 ILE B 5 113.570 77.819 53.162 1.00 0.00 H new ATOM 0 HG21 ILE B 5 113.513 79.880 55.945 1.00 0.00 H new ATOM 0 HG22 ILE B 5 114.865 80.863 55.332 1.00 0.00 H new ATOM 0 HG23 ILE B 5 113.484 80.490 54.273 1.00 0.00 H new ATOM 0 HD11 ILE B 5 113.562 75.643 54.353 1.00 0.00 H new ATOM 0 HD12 ILE B 5 115.231 76.194 54.071 1.00 0.00 H new ATOM 0 HD13 ILE B 5 114.498 76.363 55.684 1.00 0.00 H new ATOM 844 N GLN B 6 114.335 79.027 51.351 1.00 0.00 N ATOM 845 CA GLN B 6 113.506 79.607 50.256 1.00 0.00 C ATOM 846 C GLN B 6 112.873 78.492 49.418 1.00 0.00 C ATOM 847 O GLN B 6 113.449 78.018 48.459 1.00 0.00 O ATOM 848 CB GLN B 6 114.485 80.424 49.412 1.00 0.00 C ATOM 849 CG GLN B 6 113.944 81.845 49.235 1.00 0.00 C ATOM 850 CD GLN B 6 114.444 82.421 47.908 1.00 0.00 C ATOM 851 OE1 GLN B 6 114.656 81.695 46.958 1.00 0.00 O ATOM 852 NE2 GLN B 6 114.642 83.707 47.804 1.00 0.00 N ATOM 0 H GLN B 6 114.457 78.015 51.314 1.00 0.00 H new ATOM 0 HA GLN B 6 112.687 80.217 50.637 1.00 0.00 H new ATOM 0 HB2 GLN B 6 115.462 80.453 49.895 1.00 0.00 H new ATOM 0 HB3 GLN B 6 114.624 79.953 48.439 1.00 0.00 H new ATOM 0 HG2 GLN B 6 112.854 81.835 49.252 1.00 0.00 H new ATOM 0 HG3 GLN B 6 114.270 82.475 50.063 1.00 0.00 H new ATOM 0 HE21 GLN B 6 114.464 84.317 48.602 1.00 0.00 H new ATOM 0 HE22 GLN B 6 114.975 84.102 46.925 1.00 0.00 H new ATOM 861 N ILE B 7 111.689 78.071 49.774 1.00 0.00 N ATOM 862 CA ILE B 7 111.015 76.988 49.001 1.00 0.00 C ATOM 863 C ILE B 7 110.182 77.608 47.863 1.00 0.00 C ATOM 864 O ILE B 7 109.176 78.243 48.115 1.00 0.00 O ATOM 865 CB ILE B 7 110.124 76.269 50.031 1.00 0.00 C ATOM 866 CG1 ILE B 7 110.986 75.323 50.874 1.00 0.00 C ATOM 867 CG2 ILE B 7 109.036 75.449 49.326 1.00 0.00 C ATOM 868 CD1 ILE B 7 111.969 76.133 51.720 1.00 0.00 C ATOM 0 H ILE B 7 111.159 78.431 50.568 1.00 0.00 H new ATOM 0 HA ILE B 7 111.714 76.295 48.532 1.00 0.00 H new ATOM 0 HB ILE B 7 109.651 77.019 50.665 1.00 0.00 H new ATOM 0 HG12 ILE B 7 110.351 74.716 51.519 1.00 0.00 H new ATOM 0 HG13 ILE B 7 111.530 74.637 50.225 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.417 74.949 50.071 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.414 76.111 48.723 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.502 74.703 48.682 1.00 0.00 H new ATOM 0 HD11 ILE B 7 112.579 75.455 52.317 1.00 0.00 H new ATOM 0 HD12 ILE B 7 112.613 76.721 51.066 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.416 76.801 52.380 1.00 0.00 H new ATOM 880 N PRO B 8 110.627 77.407 46.645 1.00 0.00 N ATOM 881 CA PRO B 8 109.905 77.962 45.472 1.00 0.00 C ATOM 882 C PRO B 8 108.587 77.209 45.237 1.00 0.00 C ATOM 883 O PRO B 8 108.437 76.081 45.663 1.00 0.00 O ATOM 884 CB PRO B 8 110.871 77.739 44.313 1.00 0.00 C ATOM 885 CG PRO B 8 111.726 76.594 44.743 1.00 0.00 C ATOM 886 CD PRO B 8 111.825 76.657 46.244 1.00 0.00 C ATOM 0 HA PRO B 8 109.634 79.010 45.600 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.336 77.509 43.391 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.470 78.629 44.120 1.00 0.00 H new ATOM 0 HG2 PRO B 8 111.290 75.647 44.425 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.715 76.659 44.288 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.839 75.661 46.686 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.737 77.160 46.564 1.00 0.00 H new ATOM 894 N PRO B 9 107.670 77.863 44.564 1.00 0.00 N ATOM 895 CA PRO B 9 106.353 77.243 44.275 1.00 0.00 C ATOM 896 C PRO B 9 106.484 76.199 43.161 1.00 0.00 C ATOM 897 O PRO B 9 107.464 76.162 42.444 1.00 0.00 O ATOM 898 CB PRO B 9 105.495 78.417 43.815 1.00 0.00 C ATOM 899 CG PRO B 9 106.464 79.428 43.289 1.00 0.00 C ATOM 900 CD PRO B 9 107.768 79.225 44.017 1.00 0.00 C ATOM 0 HA PRO B 9 105.930 76.722 45.134 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.789 78.110 43.044 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.910 78.824 44.640 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.601 79.305 42.215 1.00 0.00 H new ATOM 0 HG3 PRO B 9 106.089 80.439 43.449 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.619 79.323 43.343 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.901 79.963 44.808 1.00 0.00 H new ATOM 908 N GLY B 10 105.500 75.354 43.011 1.00 0.00 N ATOM 909 CA GLY B 10 105.566 74.316 41.942 1.00 0.00 C ATOM 910 C GLY B 10 105.916 72.963 42.565 1.00 0.00 C ATOM 911 O GLY B 10 105.618 71.920 42.016 1.00 0.00 O ATOM 0 H GLY B 10 104.655 75.337 43.581 1.00 0.00 H new ATOM 0 HA2 GLY B 10 104.610 74.253 41.422 1.00 0.00 H new ATOM 0 HA3 GLY B 10 106.315 74.591 41.199 1.00 0.00 H new ATOM 915 N LEU B 11 106.545 72.971 43.708 1.00 0.00 N ATOM 916 CA LEU B 11 106.915 71.686 44.365 1.00 0.00 C ATOM 917 C LEU B 11 105.753 71.173 45.222 1.00 0.00 C ATOM 918 O LEU B 11 105.686 70.007 45.557 1.00 0.00 O ATOM 919 CB LEU B 11 108.121 72.025 45.243 1.00 0.00 C ATOM 920 CG LEU B 11 109.278 71.087 44.905 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.605 71.777 45.224 1.00 0.00 C ATOM 922 CD2 LEU B 11 109.157 69.808 45.738 1.00 0.00 C ATOM 0 H LEU B 11 106.819 73.812 44.215 1.00 0.00 H new ATOM 0 HA LEU B 11 107.143 70.903 43.642 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.420 73.061 45.084 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.856 71.928 46.296 1.00 0.00 H new ATOM 0 HG LEU B 11 109.244 70.837 43.845 1.00 0.00 H new ATOM 0 HD11 LEU B 11 111.431 71.107 44.983 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.692 72.689 44.633 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.639 72.028 46.284 1.00 0.00 H new ATOM 0 HD21 LEU B 11 109.982 69.138 45.498 1.00 0.00 H new ATOM 0 HD22 LEU B 11 109.191 70.060 46.798 1.00 0.00 H new ATOM 0 HD23 LEU B 11 108.212 69.315 45.512 1.00 0.00 H new ATOM 934 N THR B 12 104.838 72.034 45.579 1.00 0.00 N ATOM 935 CA THR B 12 103.684 71.593 46.415 1.00 0.00 C ATOM 936 C THR B 12 102.661 70.845 45.555 1.00 0.00 C ATOM 937 O THR B 12 102.168 69.800 45.929 1.00 0.00 O ATOM 938 CB THR B 12 103.077 72.885 46.965 1.00 0.00 C ATOM 939 OG1 THR B 12 104.025 73.533 47.803 1.00 0.00 O ATOM 940 CG2 THR B 12 101.820 72.557 47.772 1.00 0.00 C ATOM 0 H THR B 12 104.840 73.023 45.328 1.00 0.00 H new ATOM 0 HA THR B 12 103.988 70.913 47.211 1.00 0.00 H new ATOM 0 HB THR B 12 102.813 73.544 46.138 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.638 74.362 48.155 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.388 73.478 48.163 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.094 72.061 47.128 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.081 71.898 48.600 1.00 0.00 H new ATOM 948 N GLU B 13 102.340 71.375 44.408 1.00 0.00 N ATOM 949 CA GLU B 13 101.349 70.697 43.523 1.00 0.00 C ATOM 950 C GLU B 13 101.788 69.257 43.246 1.00 0.00 C ATOM 951 O GLU B 13 101.069 68.315 43.519 1.00 0.00 O ATOM 952 CB GLU B 13 101.346 71.514 42.230 1.00 0.00 C ATOM 953 CG GLU B 13 100.279 72.607 42.319 1.00 0.00 C ATOM 954 CD GLU B 13 100.896 73.877 42.908 1.00 0.00 C ATOM 955 OE1 GLU B 13 101.792 74.420 42.284 1.00 0.00 O ATOM 956 OE2 GLU B 13 100.461 74.285 43.972 1.00 0.00 O ATOM 0 H GLU B 13 102.720 72.249 44.044 1.00 0.00 H new ATOM 0 HA GLU B 13 100.358 70.647 43.975 1.00 0.00 H new ATOM 0 HB2 GLU B 13 102.327 71.961 42.068 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.146 70.865 41.378 1.00 0.00 H new ATOM 0 HG2 GLU B 13 99.871 72.813 41.329 1.00 0.00 H new ATOM 0 HG3 GLU B 13 99.450 72.271 42.941 1.00 0.00 H new ATOM 963 N LEU B 14 102.962 69.080 42.705 1.00 0.00 N ATOM 964 CA LEU B 14 103.448 67.701 42.410 1.00 0.00 C ATOM 965 C LEU B 14 103.359 66.828 43.665 1.00 0.00 C ATOM 966 O LEU B 14 102.767 65.766 43.653 1.00 0.00 O ATOM 967 CB LEU B 14 104.906 67.879 41.985 1.00 0.00 C ATOM 968 CG LEU B 14 104.975 68.103 40.473 1.00 0.00 C ATOM 969 CD1 LEU B 14 106.353 68.655 40.100 1.00 0.00 C ATOM 970 CD2 LEU B 14 104.747 66.774 39.751 1.00 0.00 C ATOM 0 H LEU B 14 103.606 69.830 42.454 1.00 0.00 H new ATOM 0 HA LEU B 14 102.854 67.210 41.639 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.347 68.727 42.509 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.486 66.998 42.259 1.00 0.00 H new ATOM 0 HG LEU B 14 104.206 68.816 40.176 1.00 0.00 H new ATOM 0 HD11 LEU B 14 106.402 68.814 39.023 1.00 0.00 H new ATOM 0 HD12 LEU B 14 106.517 69.602 40.615 1.00 0.00 H new ATOM 0 HD13 LEU B 14 107.123 67.943 40.396 1.00 0.00 H new ATOM 0 HD21 LEU B 14 104.796 66.932 38.674 1.00 0.00 H new ATOM 0 HD22 LEU B 14 105.517 66.062 40.048 1.00 0.00 H new ATOM 0 HD23 LEU B 14 103.766 66.380 40.016 1.00 0.00 H new ATOM 982 N LEU B 15 103.941 67.266 44.747 1.00 0.00 N ATOM 983 CA LEU B 15 103.888 66.459 46.000 1.00 0.00 C ATOM 984 C LEU B 15 102.434 66.175 46.383 1.00 0.00 C ATOM 985 O LEU B 15 102.095 65.086 46.803 1.00 0.00 O ATOM 986 CB LEU B 15 104.568 67.325 47.061 1.00 0.00 C ATOM 987 CG LEU B 15 106.006 66.845 47.268 1.00 0.00 C ATOM 988 CD1 LEU B 15 106.782 66.965 45.953 1.00 0.00 C ATOM 989 CD2 LEU B 15 106.682 67.706 48.337 1.00 0.00 C ATOM 0 H LEU B 15 104.451 68.147 44.819 1.00 0.00 H new ATOM 0 HA LEU B 15 104.381 65.493 45.891 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.563 68.370 46.750 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.016 67.269 47.999 1.00 0.00 H new ATOM 0 HG LEU B 15 105.997 65.804 47.590 1.00 0.00 H new ATOM 0 HD11 LEU B 15 107.806 66.623 46.102 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.302 66.352 45.190 1.00 0.00 H new ATOM 0 HD13 LEU B 15 106.791 68.006 45.629 1.00 0.00 H new ATOM 0 HD21 LEU B 15 107.706 67.365 48.485 1.00 0.00 H new ATOM 0 HD22 LEU B 15 106.690 68.747 48.014 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.132 67.621 49.274 1.00 0.00 H new ATOM 1001 N GLN B 16 101.568 67.142 46.238 1.00 0.00 N ATOM 1002 CA GLN B 16 100.137 66.917 46.591 1.00 0.00 C ATOM 1003 C GLN B 16 99.589 65.719 45.810 1.00 0.00 C ATOM 1004 O GLN B 16 98.846 64.913 46.335 1.00 0.00 O ATOM 1005 CB GLN B 16 99.417 68.203 46.179 1.00 0.00 C ATOM 1006 CG GLN B 16 98.628 68.748 47.371 1.00 0.00 C ATOM 1007 CD GLN B 16 98.241 70.205 47.106 1.00 0.00 C ATOM 1008 OE1 GLN B 16 98.003 70.587 45.976 1.00 0.00 O ATOM 1009 NE2 GLN B 16 98.166 71.040 48.106 1.00 0.00 N ATOM 0 H GLN B 16 101.789 68.075 45.891 1.00 0.00 H new ATOM 0 HA GLN B 16 100.000 66.699 47.650 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.140 68.944 45.838 1.00 0.00 H new ATOM 0 HB3 GLN B 16 98.745 68.005 45.344 1.00 0.00 H new ATOM 0 HG2 GLN B 16 97.733 68.147 47.533 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.227 68.679 48.279 1.00 0.00 H new ATOM 0 HE21 GLN B 16 98.366 70.720 49.054 1.00 0.00 H new ATOM 0 HE22 GLN B 16 97.908 72.013 47.940 1.00 0.00 H new ATOM 1018 N GLY B 17 99.959 65.588 44.564 1.00 0.00 N ATOM 1019 CA GLY B 17 99.465 64.433 43.761 1.00 0.00 C ATOM 1020 C GLY B 17 99.829 63.137 44.486 1.00 0.00 C ATOM 1021 O GLY B 17 98.985 62.306 44.757 1.00 0.00 O ATOM 0 H GLY B 17 100.580 66.229 44.069 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.385 64.500 43.628 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.910 64.447 42.766 1.00 0.00 H new ATOM 1025 N TYR B 18 101.083 62.968 44.816 1.00 0.00 N ATOM 1026 CA TYR B 18 101.513 61.738 45.539 1.00 0.00 C ATOM 1027 C TYR B 18 100.589 61.474 46.734 1.00 0.00 C ATOM 1028 O TYR B 18 100.107 60.378 46.932 1.00 0.00 O ATOM 1029 CB TYR B 18 102.927 62.059 46.021 1.00 0.00 C ATOM 1030 CG TYR B 18 103.750 60.798 46.048 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.763 59.947 44.924 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.507 60.470 47.195 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.533 58.762 44.944 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.277 59.286 47.217 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.290 58.432 46.091 1.00 0.00 C ATOM 1036 OH TYR B 18 106.042 57.275 46.111 1.00 0.00 O ATOM 0 H TYR B 18 101.830 63.633 44.614 1.00 0.00 H new ATOM 0 HA TYR B 18 101.478 60.848 44.911 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.389 62.793 45.361 1.00 0.00 H new ATOM 0 HB3 TYR B 18 102.891 62.503 47.016 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.185 60.201 44.048 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.497 61.124 48.054 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.543 58.109 44.084 1.00 0.00 H new ATOM 0 HE2 TYR B 18 105.855 59.034 48.094 1.00 0.00 H new ATOM 0 HH TYR B 18 105.573 56.589 46.630 1.00 0.00 H new ATOM 1046 N THR B 19 100.342 62.479 47.526 1.00 0.00 N ATOM 1047 CA THR B 19 99.451 62.303 48.708 1.00 0.00 C ATOM 1048 C THR B 19 98.098 61.727 48.270 1.00 0.00 C ATOM 1049 O THR B 19 97.466 60.985 48.996 1.00 0.00 O ATOM 1050 CB THR B 19 99.283 63.716 49.274 1.00 0.00 C ATOM 1051 OG1 THR B 19 100.535 64.176 49.765 1.00 0.00 O ATOM 1052 CG2 THR B 19 98.263 63.703 50.412 1.00 0.00 C ATOM 0 H THR B 19 100.720 63.419 47.406 1.00 0.00 H new ATOM 0 HA THR B 19 99.860 61.612 49.445 1.00 0.00 H new ATOM 0 HB THR B 19 98.929 64.381 48.486 1.00 0.00 H new ATOM 0 HG1 THR B 19 100.432 65.081 50.127 1.00 0.00 H new ATOM 0 HG21 THR B 19 98.149 64.711 50.810 1.00 0.00 H new ATOM 0 HG22 THR B 19 97.303 63.350 50.036 1.00 0.00 H new ATOM 0 HG23 THR B 19 98.609 63.038 51.203 1.00 0.00 H new ATOM 1060 N VAL B 20 97.653 62.064 47.091 1.00 0.00 N ATOM 1061 CA VAL B 20 96.341 61.539 46.609 1.00 0.00 C ATOM 1062 C VAL B 20 96.501 60.119 46.054 1.00 0.00 C ATOM 1063 O VAL B 20 95.565 59.345 46.026 1.00 0.00 O ATOM 1064 CB VAL B 20 95.912 62.501 45.501 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.587 62.030 44.900 1.00 0.00 C ATOM 1066 CG2 VAL B 20 95.735 63.905 46.084 1.00 0.00 C ATOM 0 H VAL B 20 98.140 62.680 46.440 1.00 0.00 H new ATOM 0 HA VAL B 20 95.604 61.482 47.410 1.00 0.00 H new ATOM 0 HB VAL B 20 96.676 62.523 44.724 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.281 62.716 44.110 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.711 61.030 44.484 1.00 0.00 H new ATOM 0 HG13 VAL B 20 93.823 62.008 45.677 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.429 64.591 45.294 1.00 0.00 H new ATOM 0 HG22 VAL B 20 94.971 63.883 46.861 1.00 0.00 H new ATOM 0 HG23 VAL B 20 96.679 64.243 46.513 1.00 0.00 H new ATOM 1076 N GLU B 21 97.679 59.771 45.613 1.00 0.00 N ATOM 1077 CA GLU B 21 97.891 58.394 45.060 1.00 0.00 C ATOM 1078 C GLU B 21 98.276 57.450 46.193 1.00 0.00 C ATOM 1079 O GLU B 21 97.622 56.459 46.449 1.00 0.00 O ATOM 1080 CB GLU B 21 99.058 58.479 44.056 1.00 0.00 C ATOM 1081 CG GLU B 21 99.133 59.862 43.402 1.00 0.00 C ATOM 1082 CD GLU B 21 99.556 59.714 41.940 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.699 59.415 41.124 1.00 0.00 O ATOM 1084 OE2 GLU B 21 100.728 59.899 41.662 1.00 0.00 O ATOM 0 H GLU B 21 98.502 60.373 45.610 1.00 0.00 H new ATOM 0 HA GLU B 21 96.985 58.024 44.579 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.996 58.265 44.568 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.934 57.717 43.286 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.164 60.357 43.463 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.846 60.490 43.936 1.00 0.00 H new ATOM 1091 N VAL B 22 99.345 57.760 46.870 1.00 0.00 N ATOM 1092 CA VAL B 22 99.803 56.900 47.993 1.00 0.00 C ATOM 1093 C VAL B 22 98.647 56.622 48.959 1.00 0.00 C ATOM 1094 O VAL B 22 98.484 55.521 49.445 1.00 0.00 O ATOM 1095 CB VAL B 22 100.897 57.715 48.680 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.489 56.899 49.823 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.001 58.045 47.673 1.00 0.00 C ATOM 0 H VAL B 22 99.925 58.580 46.691 1.00 0.00 H new ATOM 0 HA VAL B 22 100.164 55.929 47.654 1.00 0.00 H new ATOM 0 HB VAL B 22 100.470 58.640 49.068 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.270 57.477 50.316 1.00 0.00 H new ATOM 0 HG12 VAL B 22 100.706 56.659 50.543 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.914 55.976 49.429 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.780 58.627 48.165 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.428 57.120 47.285 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.582 58.624 46.850 1.00 0.00 H new ATOM 1107 N LEU B 23 97.842 57.611 49.240 1.00 0.00 N ATOM 1108 CA LEU B 23 96.698 57.394 50.173 1.00 0.00 C ATOM 1109 C LEU B 23 95.573 56.637 49.462 1.00 0.00 C ATOM 1110 O LEU B 23 94.880 55.834 50.055 1.00 0.00 O ATOM 1111 CB LEU B 23 96.235 58.797 50.569 1.00 0.00 C ATOM 1112 CG LEU B 23 95.226 58.693 51.715 1.00 0.00 C ATOM 1113 CD1 LEU B 23 95.972 58.596 53.046 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.334 59.936 51.722 1.00 0.00 C ATOM 0 H LEU B 23 97.926 58.556 48.866 1.00 0.00 H new ATOM 0 HA LEU B 23 96.981 56.800 51.042 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.089 59.401 50.875 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.781 59.297 49.714 1.00 0.00 H new ATOM 0 HG LEU B 23 94.612 57.803 51.577 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.253 58.522 53.862 1.00 0.00 H new ATOM 0 HD12 LEU B 23 96.609 57.711 53.042 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.587 59.485 53.184 1.00 0.00 H new ATOM 0 HD21 LEU B 23 93.615 59.863 52.538 1.00 0.00 H new ATOM 0 HD22 LEU B 23 94.950 60.825 51.859 1.00 0.00 H new ATOM 0 HD23 LEU B 23 93.801 60.007 50.774 1.00 0.00 H new ATOM 1126 N ARG B 24 95.382 56.888 48.195 1.00 0.00 N ATOM 1127 CA ARG B 24 94.299 56.183 47.449 1.00 0.00 C ATOM 1128 C ARG B 24 94.731 54.753 47.108 1.00 0.00 C ATOM 1129 O ARG B 24 94.007 53.806 47.341 1.00 0.00 O ATOM 1130 CB ARG B 24 94.100 57.003 46.173 1.00 0.00 C ATOM 1131 CG ARG B 24 92.975 56.385 45.340 1.00 0.00 C ATOM 1132 CD ARG B 24 91.738 57.285 45.404 1.00 0.00 C ATOM 1133 NE ARG B 24 90.683 56.443 46.035 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.669 57.007 46.632 1.00 0.00 C ATOM 1135 NH1 ARG B 24 89.823 57.543 47.812 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.501 57.033 46.050 1.00 0.00 N ATOM 0 H ARG B 24 95.928 57.550 47.644 1.00 0.00 H new ATOM 0 HA ARG B 24 93.381 56.104 48.031 1.00 0.00 H new ATOM 0 HB2 ARG B 24 93.855 58.035 46.425 1.00 0.00 H new ATOM 0 HB3 ARG B 24 95.024 57.027 45.595 1.00 0.00 H new ATOM 0 HG2 ARG B 24 93.298 56.265 44.306 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.734 55.391 45.716 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.932 58.182 45.992 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.438 57.615 44.410 1.00 0.00 H new ATOM 0 HE ARG B 24 90.753 55.426 46.000 1.00 0.00 H new ATOM 0 HH11 ARG B 24 90.736 57.521 48.267 1.00 0.00 H new ATOM 0 HH12 ARG B 24 89.031 57.984 48.279 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.381 56.612 45.129 1.00 0.00 H new ATOM 0 HH22 ARG B 24 87.708 57.474 46.517 1.00 0.00 H new ATOM 1150 N GLN B 25 95.902 54.589 46.554 1.00 0.00 N ATOM 1151 CA GLN B 25 96.372 53.220 46.198 1.00 0.00 C ATOM 1152 C GLN B 25 96.827 52.470 47.452 1.00 0.00 C ATOM 1153 O GLN B 25 96.622 51.280 47.586 1.00 0.00 O ATOM 1154 CB GLN B 25 97.548 53.442 45.247 1.00 0.00 C ATOM 1155 CG GLN B 25 97.034 54.009 43.922 1.00 0.00 C ATOM 1156 CD GLN B 25 96.481 52.873 43.060 1.00 0.00 C ATOM 1157 OE1 GLN B 25 95.287 52.650 43.021 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.305 52.141 42.361 1.00 0.00 N ATOM 0 H GLN B 25 96.552 55.343 46.333 1.00 0.00 H new ATOM 0 HA GLN B 25 95.585 52.619 45.741 1.00 0.00 H new ATOM 0 HB2 GLN B 25 98.266 54.129 45.694 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.072 52.502 45.074 1.00 0.00 H new ATOM 0 HG2 GLN B 25 96.256 54.750 44.109 1.00 0.00 H new ATOM 0 HG3 GLN B 25 97.840 54.519 43.396 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.307 52.328 42.394 1.00 0.00 H new ATOM 0 HE22 GLN B 25 96.947 51.382 41.782 1.00 0.00 H new ATOM 1167 N GLN B 26 97.442 53.158 48.373 1.00 0.00 N ATOM 1168 CA GLN B 26 97.910 52.487 49.622 1.00 0.00 C ATOM 1169 C GLN B 26 98.774 51.265 49.280 1.00 0.00 C ATOM 1170 O GLN B 26 98.508 50.173 49.741 1.00 0.00 O ATOM 1171 CB GLN B 26 96.629 52.058 50.340 1.00 0.00 C ATOM 1172 CG GLN B 26 96.459 52.882 51.617 1.00 0.00 C ATOM 1173 CD GLN B 26 95.353 52.266 52.477 1.00 0.00 C ATOM 1174 OE1 GLN B 26 94.241 52.754 52.499 1.00 0.00 O ATOM 1175 NE2 GLN B 26 95.614 51.207 53.193 1.00 0.00 N ATOM 0 H GLN B 26 97.642 54.157 48.317 1.00 0.00 H new ATOM 0 HA GLN B 26 98.525 53.143 50.239 1.00 0.00 H new ATOM 0 HB2 GLN B 26 95.768 52.199 49.686 1.00 0.00 H new ATOM 0 HB3 GLN B 26 96.674 50.996 50.583 1.00 0.00 H new ATOM 0 HG2 GLN B 26 97.396 52.908 52.174 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.209 53.913 51.367 1.00 0.00 H new ATOM 0 HE21 GLN B 26 96.548 50.797 53.175 1.00 0.00 H new ATOM 0 HE22 GLN B 26 94.884 50.789 53.771 1.00 0.00 H new ATOM 1184 N PRO B 27 99.787 51.490 48.480 1.00 0.00 N ATOM 1185 CA PRO B 27 100.695 50.384 48.080 1.00 0.00 C ATOM 1186 C PRO B 27 101.549 49.932 49.272 1.00 0.00 C ATOM 1187 O PRO B 27 101.752 50.684 50.206 1.00 0.00 O ATOM 1188 CB PRO B 27 101.566 51.011 46.993 1.00 0.00 C ATOM 1189 CG PRO B 27 101.531 52.478 47.273 1.00 0.00 C ATOM 1190 CD PRO B 27 100.184 52.769 47.876 1.00 0.00 C ATOM 0 HA PRO B 27 100.163 49.497 47.735 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.585 50.625 47.031 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.178 50.789 45.999 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.331 52.761 47.957 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.677 53.051 46.357 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.242 53.562 48.621 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.469 53.094 47.120 1.00 0.00 H new ATOM 1198 N PRO B 28 102.026 48.713 49.202 1.00 0.00 N ATOM 1199 CA PRO B 28 102.867 48.165 50.293 1.00 0.00 C ATOM 1200 C PRO B 28 104.248 48.826 50.289 1.00 0.00 C ATOM 1201 O PRO B 28 104.861 49.017 51.321 1.00 0.00 O ATOM 1202 CB PRO B 28 102.973 46.679 49.957 1.00 0.00 C ATOM 1203 CG PRO B 28 102.747 46.601 48.482 1.00 0.00 C ATOM 1204 CD PRO B 28 101.833 47.741 48.118 1.00 0.00 C ATOM 0 HA PRO B 28 102.449 48.342 51.284 1.00 0.00 H new ATOM 0 HB2 PRO B 28 103.951 46.281 50.228 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.230 46.097 50.502 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.691 46.676 47.942 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.299 45.645 48.210 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.093 48.167 47.149 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.795 47.415 48.054 1.00 0.00 H new ATOM 1212 N ASP B 29 104.744 49.176 49.134 1.00 0.00 N ATOM 1213 CA ASP B 29 106.084 49.824 49.063 1.00 0.00 C ATOM 1214 C ASP B 29 105.971 51.213 48.431 1.00 0.00 C ATOM 1215 O ASP B 29 105.491 51.365 47.324 1.00 0.00 O ATOM 1216 CB ASP B 29 106.925 48.899 48.180 1.00 0.00 C ATOM 1217 CG ASP B 29 107.159 47.569 48.899 1.00 0.00 C ATOM 1218 OD1 ASP B 29 106.524 47.343 49.916 1.00 0.00 O ATOM 1219 OD2 ASP B 29 107.972 46.796 48.419 1.00 0.00 O ATOM 0 H ASP B 29 104.279 49.041 48.236 1.00 0.00 H new ATOM 0 HA ASP B 29 106.527 49.962 50.049 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.417 48.726 47.231 1.00 0.00 H new ATOM 0 HB3 ASP B 29 107.880 49.371 47.949 1.00 0.00 H new ATOM 1224 N LEU B 30 106.408 52.229 49.125 1.00 0.00 N ATOM 1225 CA LEU B 30 106.326 53.608 48.563 1.00 0.00 C ATOM 1226 C LEU B 30 107.553 53.895 47.694 1.00 0.00 C ATOM 1227 O LEU B 30 107.463 54.546 46.671 1.00 0.00 O ATOM 1228 CB LEU B 30 106.298 54.529 49.782 1.00 0.00 C ATOM 1229 CG LEU B 30 106.113 55.976 49.325 1.00 0.00 C ATOM 1230 CD1 LEU B 30 104.626 56.249 49.086 1.00 0.00 C ATOM 1231 CD2 LEU B 30 106.636 56.922 50.409 1.00 0.00 C ATOM 0 H LEU B 30 106.818 52.164 50.057 1.00 0.00 H new ATOM 0 HA LEU B 30 105.450 53.748 47.929 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.486 54.241 50.450 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.225 54.431 50.347 1.00 0.00 H new ATOM 0 HG LEU B 30 106.666 56.139 48.400 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.493 57.281 48.760 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.251 55.574 48.316 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.073 56.087 50.011 1.00 0.00 H new ATOM 0 HD21 LEU B 30 106.505 57.954 50.085 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.081 56.759 51.333 1.00 0.00 H new ATOM 0 HD23 LEU B 30 107.694 56.728 50.582 1.00 0.00 H new ATOM 1243 N VAL B 31 108.699 53.410 48.090 1.00 0.00 N ATOM 1244 CA VAL B 31 109.934 53.647 47.285 1.00 0.00 C ATOM 1245 C VAL B 31 109.688 53.266 45.826 1.00 0.00 C ATOM 1246 O VAL B 31 109.833 54.068 44.924 1.00 0.00 O ATOM 1247 CB VAL B 31 110.985 52.723 47.895 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.331 52.945 47.200 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.127 53.028 49.387 1.00 0.00 C ATOM 0 H VAL B 31 108.834 52.859 48.938 1.00 0.00 H new ATOM 0 HA VAL B 31 110.243 54.692 47.302 1.00 0.00 H new ATOM 0 HB VAL B 31 110.676 51.686 47.762 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.080 52.284 47.637 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.232 52.727 46.137 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.641 53.982 47.331 1.00 0.00 H new ATOM 0 HG21 VAL B 31 111.877 52.369 49.823 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.435 54.065 49.519 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.170 52.868 49.884 1.00 0.00 H new ATOM 1259 N ASP B 32 109.314 52.041 45.594 1.00 0.00 N ATOM 1260 CA ASP B 32 109.051 51.586 44.203 1.00 0.00 C ATOM 1261 C ASP B 32 107.893 52.383 43.597 1.00 0.00 C ATOM 1262 O ASP B 32 107.902 52.719 42.430 1.00 0.00 O ATOM 1263 CB ASP B 32 108.682 50.112 44.351 1.00 0.00 C ATOM 1264 CG ASP B 32 109.004 49.367 43.053 1.00 0.00 C ATOM 1265 OD1 ASP B 32 109.765 49.898 42.260 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.485 48.278 42.874 1.00 0.00 O ATOM 0 H ASP B 32 109.178 51.331 46.313 1.00 0.00 H new ATOM 0 HA ASP B 32 109.905 51.730 43.541 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.233 49.671 45.181 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.622 50.014 44.584 1.00 0.00 H new ATOM 1271 N PHE B 33 106.898 52.695 44.383 1.00 0.00 N ATOM 1272 CA PHE B 33 105.750 53.478 43.846 1.00 0.00 C ATOM 1273 C PHE B 33 106.219 54.876 43.441 1.00 0.00 C ATOM 1274 O PHE B 33 105.860 55.386 42.398 1.00 0.00 O ATOM 1275 CB PHE B 33 104.747 53.560 44.998 1.00 0.00 C ATOM 1276 CG PHE B 33 103.535 54.345 44.554 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.661 53.804 43.585 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.278 55.621 45.105 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.529 54.539 43.167 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.146 56.355 44.687 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.270 55.814 43.718 1.00 0.00 C ATOM 0 H PHE B 33 106.831 52.443 45.369 1.00 0.00 H new ATOM 0 HA PHE B 33 105.311 53.017 42.961 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.451 52.558 45.309 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.207 54.039 45.862 1.00 0.00 H new ATOM 0 HD1 PHE B 33 102.858 52.829 43.164 1.00 0.00 H new ATOM 0 HD2 PHE B 33 103.947 56.035 45.845 1.00 0.00 H new ATOM 0 HE1 PHE B 33 100.861 54.126 42.426 1.00 0.00 H new ATOM 0 HE2 PHE B 33 101.949 57.330 45.108 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.404 56.375 43.399 1.00 0.00 H new ATOM 1291 N ALA B 34 107.024 55.498 44.258 1.00 0.00 N ATOM 1292 CA ALA B 34 107.524 56.861 43.921 1.00 0.00 C ATOM 1293 C ALA B 34 108.251 56.838 42.574 1.00 0.00 C ATOM 1294 O ALA B 34 108.145 57.757 41.787 1.00 0.00 O ATOM 1295 CB ALA B 34 108.497 57.216 45.047 1.00 0.00 C ATOM 0 H ALA B 34 107.357 55.121 45.145 1.00 0.00 H new ATOM 0 HA ALA B 34 106.716 57.588 43.835 1.00 0.00 H new ATOM 0 HB1 ALA B 34 108.910 58.209 44.871 1.00 0.00 H new ATOM 0 HB2 ALA B 34 107.969 57.206 46.001 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.306 56.486 45.072 1.00 0.00 H new ATOM 1301 N VAL B 35 108.987 55.794 42.302 1.00 0.00 N ATOM 1302 CA VAL B 35 109.717 55.714 41.011 1.00 0.00 C ATOM 1303 C VAL B 35 108.729 55.531 39.856 1.00 0.00 C ATOM 1304 O VAL B 35 108.774 56.237 38.870 1.00 0.00 O ATOM 1305 CB VAL B 35 110.616 54.487 41.152 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.397 54.278 39.860 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.595 54.700 42.308 1.00 0.00 C ATOM 0 H VAL B 35 109.112 54.993 42.921 1.00 0.00 H new ATOM 0 HA VAL B 35 110.287 56.618 40.796 1.00 0.00 H new ATOM 0 HB VAL B 35 110.002 53.609 41.353 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.039 53.403 39.960 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.701 54.125 39.035 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.010 55.156 39.660 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.236 53.824 42.408 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.209 55.578 42.108 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.038 54.850 43.233 1.00 0.00 H new ATOM 1317 N GLU B 36 107.836 54.585 39.973 1.00 0.00 N ATOM 1318 CA GLU B 36 106.844 54.351 38.882 1.00 0.00 C ATOM 1319 C GLU B 36 105.998 55.607 38.647 1.00 0.00 C ATOM 1320 O GLU B 36 105.485 55.826 37.567 1.00 0.00 O ATOM 1321 CB GLU B 36 105.969 53.203 39.385 1.00 0.00 C ATOM 1322 CG GLU B 36 106.795 51.917 39.442 1.00 0.00 C ATOM 1323 CD GLU B 36 106.196 50.882 38.488 1.00 0.00 C ATOM 1324 OE1 GLU B 36 104.982 50.841 38.376 1.00 0.00 O ATOM 1325 OE2 GLU B 36 106.962 50.148 37.885 1.00 0.00 O ATOM 0 H GLU B 36 107.750 53.963 40.777 1.00 0.00 H new ATOM 0 HA GLU B 36 107.326 54.115 37.933 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.575 53.439 40.374 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.113 53.068 38.724 1.00 0.00 H new ATOM 0 HG2 GLU B 36 107.829 52.124 39.168 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.808 51.525 40.459 1.00 0.00 H new ATOM 1332 N TYR B 37 105.847 56.431 39.646 1.00 0.00 N ATOM 1333 CA TYR B 37 105.031 57.668 39.475 1.00 0.00 C ATOM 1334 C TYR B 37 105.818 58.716 38.679 1.00 0.00 C ATOM 1335 O TYR B 37 105.482 59.038 37.556 1.00 0.00 O ATOM 1336 CB TYR B 37 104.756 58.161 40.899 1.00 0.00 C ATOM 1337 CG TYR B 37 104.070 59.508 40.854 1.00 0.00 C ATOM 1338 CD1 TYR B 37 103.025 59.740 39.930 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.479 60.537 41.730 1.00 0.00 C ATOM 1340 CE1 TYR B 37 102.389 61.001 39.886 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.843 61.799 41.685 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.798 62.030 40.763 1.00 0.00 C ATOM 1343 OH TYR B 37 102.177 63.262 40.719 1.00 0.00 O ATOM 0 H TYR B 37 106.252 56.303 40.573 1.00 0.00 H new ATOM 0 HA TYR B 37 104.108 57.484 38.925 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.130 57.442 41.428 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.691 58.238 41.454 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.713 58.954 39.258 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.278 60.360 42.435 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.590 61.178 39.182 1.00 0.00 H new ATOM 0 HE2 TYR B 37 104.156 62.586 42.355 1.00 0.00 H new ATOM 0 HH TYR B 37 102.578 63.855 41.389 1.00 0.00 H new ATOM 1353 N PHE B 38 106.856 59.255 39.255 1.00 0.00 N ATOM 1354 CA PHE B 38 107.658 60.285 38.536 1.00 0.00 C ATOM 1355 C PHE B 38 108.190 59.725 37.214 1.00 0.00 C ATOM 1356 O PHE B 38 108.083 60.353 36.177 1.00 0.00 O ATOM 1357 CB PHE B 38 108.810 60.621 39.483 1.00 0.00 C ATOM 1358 CG PHE B 38 108.305 61.520 40.585 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.928 62.849 40.294 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.208 61.031 41.908 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.454 63.691 41.325 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.734 61.873 42.939 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.357 63.204 42.647 1.00 0.00 C ATOM 0 H PHE B 38 107.184 59.027 40.193 1.00 0.00 H new ATOM 0 HA PHE B 38 107.066 61.165 38.285 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.226 59.707 39.906 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.614 61.114 38.936 1.00 0.00 H new ATOM 0 HD1 PHE B 38 108.002 63.222 39.283 1.00 0.00 H new ATOM 0 HD2 PHE B 38 108.496 60.014 42.131 1.00 0.00 H new ATOM 0 HE1 PHE B 38 107.166 64.708 41.102 1.00 0.00 H new ATOM 0 HE2 PHE B 38 107.660 61.500 43.950 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.995 63.848 43.435 1.00 0.00 H new ATOM 1373 N THR B 39 108.762 58.551 37.234 1.00 0.00 N ATOM 1374 CA THR B 39 109.297 57.962 35.969 1.00 0.00 C ATOM 1375 C THR B 39 108.220 57.994 34.881 1.00 0.00 C ATOM 1376 O THR B 39 108.473 58.379 33.757 1.00 0.00 O ATOM 1377 CB THR B 39 109.664 56.520 36.321 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.698 56.520 37.296 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.146 55.794 35.063 1.00 0.00 C ATOM 0 H THR B 39 108.882 57.975 38.067 1.00 0.00 H new ATOM 0 HA THR B 39 110.155 58.514 35.586 1.00 0.00 H new ATOM 0 HB THR B 39 108.788 56.009 36.721 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.304 56.449 38.191 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.408 54.766 35.314 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.352 55.794 34.316 1.00 0.00 H new ATOM 0 HG23 THR B 39 111.022 56.304 34.662 1.00 0.00 H new ATOM 1387 N ARG B 40 107.020 57.604 35.211 1.00 0.00 N ATOM 1388 CA ARG B 40 105.927 57.625 34.199 1.00 0.00 C ATOM 1389 C ARG B 40 105.488 59.069 33.944 1.00 0.00 C ATOM 1390 O ARG B 40 105.002 59.404 32.882 1.00 0.00 O ATOM 1391 CB ARG B 40 104.789 56.817 34.821 1.00 0.00 C ATOM 1392 CG ARG B 40 103.656 56.664 33.803 1.00 0.00 C ATOM 1393 CD ARG B 40 102.942 55.330 34.028 1.00 0.00 C ATOM 1394 NE ARG B 40 101.592 55.698 34.536 1.00 0.00 N ATOM 1395 CZ ARG B 40 101.028 54.981 35.470 1.00 0.00 C ATOM 1396 NH1 ARG B 40 100.713 53.736 35.235 1.00 0.00 N ATOM 1397 NH2 ARG B 40 100.780 55.508 36.637 1.00 0.00 N ATOM 0 H ARG B 40 106.749 57.272 36.137 1.00 0.00 H new ATOM 0 HA ARG B 40 106.237 57.208 33.241 1.00 0.00 H new ATOM 0 HB2 ARG B 40 105.151 55.836 35.128 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.422 57.316 35.718 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.949 57.488 33.903 1.00 0.00 H new ATOM 0 HG3 ARG B 40 104.055 56.708 32.790 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.873 54.758 33.103 1.00 0.00 H new ATOM 0 HD3 ARG B 40 103.479 54.711 34.747 1.00 0.00 H new ATOM 0 HE ARG B 40 101.108 56.510 34.154 1.00 0.00 H new ATOM 0 HH11 ARG B 40 100.908 53.324 34.322 1.00 0.00 H new ATOM 0 HH12 ARG B 40 100.272 53.175 35.964 1.00 0.00 H new ATOM 0 HH21 ARG B 40 101.027 56.481 36.820 1.00 0.00 H new ATOM 0 HH22 ARG B 40 100.339 54.948 37.366 1.00 0.00 H new ATOM 1411 N LEU B 41 105.663 59.928 34.913 1.00 0.00 N ATOM 1412 CA LEU B 41 105.263 61.354 34.730 1.00 0.00 C ATOM 1413 C LEU B 41 105.909 61.918 33.462 1.00 0.00 C ATOM 1414 O LEU B 41 105.320 62.706 32.749 1.00 0.00 O ATOM 1415 CB LEU B 41 105.791 62.077 35.969 1.00 0.00 C ATOM 1416 CG LEU B 41 104.819 63.188 36.369 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.733 62.614 37.281 1.00 0.00 C ATOM 1418 CD2 LEU B 41 105.579 64.288 37.112 1.00 0.00 C ATOM 0 H LEU B 41 106.066 59.704 35.823 1.00 0.00 H new ATOM 0 HA LEU B 41 104.185 61.473 34.621 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.910 61.371 36.791 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.776 62.498 35.765 1.00 0.00 H new ATOM 0 HG LEU B 41 104.358 63.605 35.474 1.00 0.00 H new ATOM 0 HD11 LEU B 41 103.041 63.406 37.566 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.190 61.831 36.752 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.193 62.196 38.176 1.00 0.00 H new ATOM 0 HD21 LEU B 41 104.886 65.080 37.397 1.00 0.00 H new ATOM 0 HD22 LEU B 41 106.041 63.870 38.007 1.00 0.00 H new ATOM 0 HD23 LEU B 41 106.352 64.699 36.462 1.00 0.00 H new ATOM 1430 N ARG B 42 107.118 61.517 33.177 1.00 0.00 N ATOM 1431 CA ARG B 42 107.804 62.025 31.956 1.00 0.00 C ATOM 1432 C ARG B 42 106.994 61.660 30.709 1.00 0.00 C ATOM 1433 O ARG B 42 106.832 62.457 29.807 1.00 0.00 O ATOM 1434 CB ARG B 42 109.159 61.316 31.937 1.00 0.00 C ATOM 1435 CG ARG B 42 110.274 62.333 32.185 1.00 0.00 C ATOM 1436 CD ARG B 42 111.023 61.966 33.468 1.00 0.00 C ATOM 1437 NE ARG B 42 111.605 60.618 33.208 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.499 60.460 32.270 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.585 61.185 32.274 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.308 59.578 31.328 1.00 0.00 N ATOM 0 H ARG B 42 107.660 60.859 33.737 1.00 0.00 H new ATOM 0 HA ARG B 42 107.912 63.110 31.964 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.185 60.539 32.701 1.00 0.00 H new ATOM 0 HB3 ARG B 42 109.309 60.823 30.976 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.963 62.347 31.340 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.854 63.335 32.270 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.802 62.695 33.692 1.00 0.00 H new ATOM 0 HD3 ARG B 42 110.350 61.946 34.325 1.00 0.00 H new ATOM 0 HE ARG B 42 111.304 59.818 33.764 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.735 61.875 33.010 1.00 0.00 H new ATOM 0 HH12 ARG B 42 114.283 61.061 31.541 1.00 0.00 H new ATOM 0 HH21 ARG B 42 111.460 59.011 31.324 1.00 0.00 H new ATOM 0 HH22 ARG B 42 113.007 59.455 30.595 1.00 0.00 H new ATOM 1454 N GLU B 43 106.487 60.458 30.654 1.00 0.00 N ATOM 1455 CA GLU B 43 105.690 60.040 29.465 1.00 0.00 C ATOM 1456 C GLU B 43 104.230 60.478 29.616 1.00 0.00 C ATOM 1457 O GLU B 43 103.484 60.507 28.660 1.00 0.00 O ATOM 1458 CB GLU B 43 105.791 58.515 29.439 1.00 0.00 C ATOM 1459 CG GLU B 43 107.026 58.100 28.639 1.00 0.00 C ATOM 1460 CD GLU B 43 106.649 57.943 27.165 1.00 0.00 C ATOM 1461 OE1 GLU B 43 105.660 57.283 26.894 1.00 0.00 O ATOM 1462 OE2 GLU B 43 107.355 58.488 26.332 1.00 0.00 O ATOM 0 H GLU B 43 106.590 59.749 31.380 1.00 0.00 H new ATOM 0 HA GLU B 43 106.059 60.492 28.544 1.00 0.00 H new ATOM 0 HB2 GLU B 43 105.855 58.127 30.455 1.00 0.00 H new ATOM 0 HB3 GLU B 43 104.894 58.088 28.991 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.811 58.849 28.747 1.00 0.00 H new ATOM 0 HG3 GLU B 43 107.425 57.162 29.025 1.00 0.00 H new ATOM 1469 N ALA B 44 103.816 60.819 30.806 1.00 0.00 N ATOM 1470 CA ALA B 44 102.403 61.252 31.001 1.00 0.00 C ATOM 1471 C ALA B 44 102.075 62.419 30.076 1.00 0.00 C ATOM 1472 O ALA B 44 101.279 62.303 29.166 1.00 0.00 O ATOM 1473 CB ALA B 44 102.318 61.712 32.455 1.00 0.00 C ATOM 0 H ALA B 44 104.392 60.817 31.648 1.00 0.00 H new ATOM 0 HA ALA B 44 101.701 60.448 30.779 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.303 62.046 32.672 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.576 60.883 33.114 1.00 0.00 H new ATOM 0 HB3 ALA B 44 103.014 62.535 32.617 1.00 0.00 H new ATOM 1479 N ARG B 45 102.678 63.553 30.316 1.00 0.00 N ATOM 1480 CA ARG B 45 102.401 64.745 29.467 1.00 0.00 C ATOM 1481 C ARG B 45 102.474 64.380 27.981 1.00 0.00 C ATOM 1482 O ARG B 45 101.622 64.748 27.198 1.00 0.00 O ATOM 1483 CB ARG B 45 103.495 65.751 29.827 1.00 0.00 C ATOM 1484 CG ARG B 45 102.896 67.157 29.898 1.00 0.00 C ATOM 1485 CD ARG B 45 101.981 67.262 31.120 1.00 0.00 C ATOM 1486 NE ARG B 45 100.810 68.057 30.656 1.00 0.00 N ATOM 1487 CZ ARG B 45 100.726 69.326 30.949 1.00 0.00 C ATOM 1488 NH1 ARG B 45 101.625 70.159 30.500 1.00 0.00 N ATOM 1489 NH2 ARG B 45 99.745 69.762 31.688 1.00 0.00 N ATOM 0 H ARG B 45 103.352 63.704 31.066 1.00 0.00 H new ATOM 0 HA ARG B 45 101.402 65.146 29.640 1.00 0.00 H new ATOM 0 HB2 ARG B 45 103.945 65.488 30.784 1.00 0.00 H new ATOM 0 HB3 ARG B 45 104.290 65.721 29.082 1.00 0.00 H new ATOM 0 HG2 ARG B 45 103.691 67.900 29.961 1.00 0.00 H new ATOM 0 HG3 ARG B 45 102.333 67.370 28.989 1.00 0.00 H new ATOM 0 HD2 ARG B 45 101.675 66.276 31.470 1.00 0.00 H new ATOM 0 HD3 ARG B 45 102.487 67.753 31.951 1.00 0.00 H new ATOM 0 HE ARG B 45 100.074 67.610 30.109 1.00 0.00 H new ATOM 0 HH11 ARG B 45 102.392 69.818 29.921 1.00 0.00 H new ATOM 0 HH12 ARG B 45 101.560 71.151 30.728 1.00 0.00 H new ATOM 0 HH21 ARG B 45 99.042 69.111 32.038 1.00 0.00 H new ATOM 0 HH22 ARG B 45 99.680 70.754 31.916 1.00 0.00 H new ATOM 1503 N ARG B 46 103.488 63.661 27.590 1.00 0.00 N ATOM 1504 CA ARG B 46 103.621 63.273 26.156 1.00 0.00 C ATOM 1505 C ARG B 46 102.640 62.149 25.814 1.00 0.00 C ATOM 1506 O ARG B 46 102.360 61.345 26.687 1.00 0.00 O ATOM 1507 CB ARG B 46 105.065 62.791 26.010 1.00 0.00 C ATOM 1508 CG ARG B 46 105.502 62.920 24.549 1.00 0.00 C ATOM 1509 CD ARG B 46 106.988 62.571 24.426 1.00 0.00 C ATOM 1510 NE ARG B 46 107.702 63.673 25.130 1.00 0.00 N ATOM 1511 CZ ARG B 46 107.663 64.886 24.650 1.00 0.00 C ATOM 1512 NH1 ARG B 46 108.457 65.228 23.672 1.00 0.00 N ATOM 1513 NH2 ARG B 46 106.830 65.758 25.150 1.00 0.00 N ATOM 1514 OXT ARG B 46 102.183 62.112 24.683 1.00 0.00 O ATOM 0 H ARG B 46 104.232 63.324 28.201 1.00 0.00 H new ATOM 0 HA ARG B 46 103.397 64.100 25.483 1.00 0.00 H new ATOM 0 HB2 ARG B 46 105.722 63.379 26.650 1.00 0.00 H new ATOM 0 HB3 ARG B 46 105.148 61.754 26.335 1.00 0.00 H new ATOM 0 HG2 ARG B 46 104.909 62.255 23.921 1.00 0.00 H new ATOM 0 HG3 ARG B 46 105.326 63.935 24.194 1.00 0.00 H new ATOM 0 HD2 ARG B 46 107.206 61.605 24.882 1.00 0.00 H new ATOM 0 HD3 ARG B 46 107.293 62.507 23.382 1.00 0.00 H new ATOM 0 HE ARG B 46 108.221 63.480 25.987 1.00 0.00 H new ATOM 0 HH11 ARG B 46 109.109 64.547 23.282 1.00 0.00 H new ATOM 0 HH12 ARG B 46 108.426 66.176 23.298 1.00 0.00 H new ATOM 0 HH21 ARG B 46 106.210 65.491 25.915 1.00 0.00 H new ATOM 0 HH22 ARG B 46 106.799 66.706 24.776 1.00 0.00 H new TER 1528 ARG B 46