USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=11 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= -0.111 X(o=-0.11,f=-0.23) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 155:sc= 0 (180deg=-0.000936) USER MOD Single : A 4 HIS : no HD1:sc= -0.26 X(o=-0.26,f=-0.47) USER MOD Single : A 6 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.3!) USER MOD Single : A 18 TYR OH : rot -21:sc= -6.52! USER MOD Single : A 19 THR OG1 : rot 85:sc= 0.408 USER MOD Single : A 25 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.4!) USER MOD Single : A 26 GLN : amide:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 83:sc= -0.749! USER MOD Single : B 1 HIS : no HD1:sc= -0.0791 X(o=-0.079,f=-0.3) 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= -0.247 X(o=-0.25,f=-0.53) USER MOD Single : B 6 GLN : amide:sc=-0.00876 X(o=-0.0088,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -1.39 K(o=-1.4,f=-5.4!) USER MOD Single : B 18 TYR OH : rot -21:sc= -6.36! USER MOD Single : B 19 THR OG1 : rot 81:sc= 0.416 USER MOD Single : B 25 GLN : amide:sc= -0.302 K(o=-0.3,f=-2.6!) USER MOD Single : B 26 GLN : amide:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 82:sc= -0.499! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 82.679 53.948 65.329 1.00 0.00 N ATOM 2 CA HIS A 1 83.543 55.104 64.955 1.00 0.00 C ATOM 3 C HIS A 1 84.131 55.753 66.211 1.00 0.00 C ATOM 4 O HIS A 1 83.499 56.565 66.856 1.00 0.00 O ATOM 5 CB HIS A 1 82.612 56.081 64.234 1.00 0.00 C ATOM 6 CG HIS A 1 82.449 55.654 62.801 1.00 0.00 C ATOM 7 ND1 HIS A 1 83.534 55.391 61.980 1.00 0.00 N ATOM 8 CD2 HIS A 1 81.334 55.442 62.030 1.00 0.00 C ATOM 9 CE1 HIS A 1 83.053 55.038 60.775 1.00 0.00 C ATOM 10 NE2 HIS A 1 81.718 55.053 60.750 1.00 0.00 N ATOM 0 H1 HIS A 1 82.286 53.516 64.469 1.00 0.00 H new ATOM 0 H2 HIS A 1 83.245 53.243 65.843 1.00 0.00 H new ATOM 0 H3 HIS A 1 81.902 54.278 65.937 1.00 0.00 H new ATOM 0 HA HIS A 1 84.383 54.804 64.328 1.00 0.00 H new ATOM 0 HB2 HIS A 1 81.641 56.108 64.729 1.00 0.00 H new ATOM 0 HB3 HIS A 1 83.021 57.090 64.280 1.00 0.00 H new ATOM 0 HD2 HIS A 1 80.314 55.559 62.365 1.00 0.00 H new ATOM 0 HE1 HIS A 1 83.671 54.774 59.930 1.00 0.00 H new ATOM 0 HE2 HIS A 1 81.110 54.828 59.962 1.00 0.00 H new ATOM 20 N MET A 2 85.337 55.401 66.563 1.00 0.00 N ATOM 21 CA MET A 2 85.963 55.998 67.776 1.00 0.00 C ATOM 22 C MET A 2 86.551 57.373 67.446 1.00 0.00 C ATOM 23 O MET A 2 86.662 58.233 68.296 1.00 0.00 O ATOM 24 CB MET A 2 87.072 55.022 68.171 1.00 0.00 C ATOM 25 CG MET A 2 87.646 55.422 69.531 1.00 0.00 C ATOM 26 SD MET A 2 88.685 54.081 70.164 1.00 0.00 S ATOM 27 CE MET A 2 87.371 53.138 70.976 1.00 0.00 C ATOM 0 H MET A 2 85.916 54.726 66.063 1.00 0.00 H new ATOM 0 HA MET A 2 85.244 56.145 68.581 1.00 0.00 H new ATOM 0 HB2 MET A 2 86.678 54.007 68.215 1.00 0.00 H new ATOM 0 HB3 MET A 2 87.859 55.026 67.417 1.00 0.00 H new ATOM 0 HG2 MET A 2 88.231 56.337 69.436 1.00 0.00 H new ATOM 0 HG3 MET A 2 86.838 55.632 70.232 1.00 0.00 H new ATOM 0 HE1 MET A 2 87.666 52.091 71.048 1.00 0.00 H new ATOM 0 HE2 MET A 2 87.202 53.537 71.976 1.00 0.00 H new ATOM 0 HE3 MET A 2 86.453 53.217 70.394 1.00 0.00 H new ATOM 37 N GLY A 3 86.928 57.586 66.214 1.00 0.00 N ATOM 38 CA GLY A 3 87.507 58.905 65.830 1.00 0.00 C ATOM 39 C GLY A 3 87.561 59.015 64.306 1.00 0.00 C ATOM 40 O GLY A 3 86.743 58.455 63.603 1.00 0.00 O ATOM 0 H GLY A 3 86.860 56.905 65.458 1.00 0.00 H new ATOM 0 HA2 GLY A 3 86.903 59.713 66.242 1.00 0.00 H new ATOM 0 HA3 GLY A 3 88.508 59.010 66.248 1.00 0.00 H new ATOM 44 N HIS A 4 88.517 59.735 63.789 1.00 0.00 N ATOM 45 CA HIS A 4 88.626 59.884 62.309 1.00 0.00 C ATOM 46 C HIS A 4 90.066 60.223 61.917 1.00 0.00 C ATOM 47 O HIS A 4 90.308 60.998 61.014 1.00 0.00 O ATOM 48 CB HIS A 4 87.689 61.040 61.959 1.00 0.00 C ATOM 49 CG HIS A 4 88.114 62.272 62.708 1.00 0.00 C ATOM 50 ND1 HIS A 4 87.620 62.579 63.966 1.00 0.00 N ATOM 51 CD2 HIS A 4 88.987 63.284 62.391 1.00 0.00 C ATOM 52 CE1 HIS A 4 88.193 63.731 64.357 1.00 0.00 C ATOM 53 NE2 HIS A 4 89.034 64.204 63.434 1.00 0.00 N ATOM 0 H HIS A 4 89.229 60.228 64.328 1.00 0.00 H new ATOM 0 HA HIS A 4 88.360 58.969 61.780 1.00 0.00 H new ATOM 0 HB2 HIS A 4 87.711 61.228 60.886 1.00 0.00 H new ATOM 0 HB3 HIS A 4 86.662 60.781 62.216 1.00 0.00 H new ATOM 0 HD2 HIS A 4 89.551 63.355 61.473 1.00 0.00 H new ATOM 0 HE1 HIS A 4 87.997 64.215 65.302 1.00 0.00 H new ATOM 0 HE2 HIS A 4 89.591 65.057 63.483 1.00 0.00 H new ATOM 61 N ILE A 5 91.023 59.650 62.594 1.00 0.00 N ATOM 62 CA ILE A 5 92.449 59.942 62.261 1.00 0.00 C ATOM 63 C ILE A 5 93.130 58.692 61.695 1.00 0.00 C ATOM 64 O ILE A 5 93.000 57.607 62.225 1.00 0.00 O ATOM 65 CB ILE A 5 93.092 60.350 63.589 1.00 0.00 C ATOM 66 CG1 ILE A 5 94.543 60.771 63.342 1.00 0.00 C ATOM 67 CG2 ILE A 5 93.063 59.170 64.566 1.00 0.00 C ATOM 68 CD1 ILE A 5 94.762 62.191 63.868 1.00 0.00 C ATOM 0 H ILE A 5 90.881 58.994 63.362 1.00 0.00 H new ATOM 0 HA ILE A 5 92.544 60.722 61.506 1.00 0.00 H new ATOM 0 HB ILE A 5 92.535 61.183 64.017 1.00 0.00 H new ATOM 0 HG12 ILE A 5 95.223 60.079 63.840 1.00 0.00 H new ATOM 0 HG13 ILE A 5 94.768 60.728 62.276 1.00 0.00 H new ATOM 0 HG21 ILE A 5 93.522 59.467 65.509 1.00 0.00 H new ATOM 0 HG22 ILE A 5 92.030 58.870 64.744 1.00 0.00 H new ATOM 0 HG23 ILE A 5 93.616 58.332 64.141 1.00 0.00 H new ATOM 0 HD11 ILE A 5 95.795 62.489 63.691 1.00 0.00 H new ATOM 0 HD12 ILE A 5 94.093 62.878 63.350 1.00 0.00 H new ATOM 0 HD13 ILE A 5 94.554 62.219 64.938 1.00 0.00 H new ATOM 80 N GLN A 6 93.859 58.839 60.621 1.00 0.00 N ATOM 81 CA GLN A 6 94.551 57.660 60.023 1.00 0.00 C ATOM 82 C GLN A 6 95.754 58.118 59.195 1.00 0.00 C ATOM 83 O GLN A 6 95.891 57.772 58.037 1.00 0.00 O ATOM 84 CB GLN A 6 93.504 56.993 59.130 1.00 0.00 C ATOM 85 CG GLN A 6 92.965 58.011 58.123 1.00 0.00 C ATOM 86 CD GLN A 6 91.825 57.380 57.322 1.00 0.00 C ATOM 87 OE1 GLN A 6 90.739 57.921 57.257 1.00 0.00 O ATOM 88 NE2 GLN A 6 92.027 56.246 56.707 1.00 0.00 N ATOM 0 H GLN A 6 94.005 59.722 60.133 1.00 0.00 H new ATOM 0 HA GLN A 6 94.931 56.976 60.782 1.00 0.00 H new ATOM 0 HB2 GLN A 6 93.945 56.146 58.605 1.00 0.00 H new ATOM 0 HB3 GLN A 6 92.689 56.601 59.738 1.00 0.00 H new ATOM 0 HG2 GLN A 6 92.609 58.900 58.643 1.00 0.00 H new ATOM 0 HG3 GLN A 6 93.762 58.332 57.452 1.00 0.00 H new ATOM 0 HE21 GLN A 6 92.939 55.792 56.761 1.00 0.00 H new ATOM 0 HE22 GLN A 6 91.273 55.815 56.172 1.00 0.00 H new ATOM 97 N ILE A 7 96.630 58.891 59.779 1.00 0.00 N ATOM 98 CA ILE A 7 97.825 59.370 59.025 1.00 0.00 C ATOM 99 C ILE A 7 99.110 58.956 59.753 1.00 0.00 C ATOM 100 O ILE A 7 99.560 59.645 60.647 1.00 0.00 O ATOM 101 CB ILE A 7 97.698 60.893 58.996 1.00 0.00 C ATOM 102 CG1 ILE A 7 96.409 61.287 58.268 1.00 0.00 C ATOM 103 CG2 ILE A 7 98.899 61.493 58.262 1.00 0.00 C ATOM 104 CD1 ILE A 7 96.447 60.749 56.837 1.00 0.00 C ATOM 0 H ILE A 7 96.570 59.212 60.745 1.00 0.00 H new ATOM 0 HA ILE A 7 97.873 58.947 58.022 1.00 0.00 H new ATOM 0 HB ILE A 7 97.669 61.272 60.018 1.00 0.00 H new ATOM 0 HG12 ILE A 7 95.544 60.886 58.796 1.00 0.00 H new ATOM 0 HG13 ILE A 7 96.302 62.372 58.257 1.00 0.00 H new ATOM 0 HG21 ILE A 7 98.808 62.579 58.242 1.00 0.00 H new ATOM 0 HG22 ILE A 7 99.817 61.216 58.780 1.00 0.00 H new ATOM 0 HG23 ILE A 7 98.929 61.112 57.241 1.00 0.00 H new ATOM 0 HD11 ILE A 7 95.530 61.029 56.319 1.00 0.00 H new ATOM 0 HD12 ILE A 7 97.304 61.171 56.312 1.00 0.00 H new ATOM 0 HD13 ILE A 7 96.534 59.663 56.859 1.00 0.00 H new ATOM 116 N PRO A 8 99.666 57.840 59.348 1.00 0.00 N ATOM 117 CA PRO A 8 100.913 57.344 59.978 1.00 0.00 C ATOM 118 C PRO A 8 102.110 58.199 59.541 1.00 0.00 C ATOM 119 O PRO A 8 102.207 58.576 58.389 1.00 0.00 O ATOM 120 CB PRO A 8 101.043 55.919 59.452 1.00 0.00 C ATOM 121 CG PRO A 8 100.288 55.913 58.164 1.00 0.00 C ATOM 122 CD PRO A 8 99.197 56.946 58.281 1.00 0.00 C ATOM 0 HA PRO A 8 100.888 57.388 61.067 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.088 55.649 59.299 1.00 0.00 H new ATOM 0 HB3 PRO A 8 100.627 55.199 60.157 1.00 0.00 H new ATOM 0 HG2 PRO A 8 100.950 56.145 57.329 1.00 0.00 H new ATOM 0 HG3 PRO A 8 99.865 54.927 57.971 1.00 0.00 H new ATOM 0 HD2 PRO A 8 99.055 57.484 57.344 1.00 0.00 H new ATOM 0 HD3 PRO A 8 98.240 56.489 58.535 1.00 0.00 H new ATOM 130 N PRO A 9 102.988 58.484 60.473 1.00 0.00 N ATOM 131 CA PRO A 9 104.182 59.305 60.159 1.00 0.00 C ATOM 132 C PRO A 9 105.197 58.490 59.353 1.00 0.00 C ATOM 133 O PRO A 9 104.908 57.404 58.891 1.00 0.00 O ATOM 134 CB PRO A 9 104.743 59.666 61.531 1.00 0.00 C ATOM 135 CG PRO A 9 104.259 58.586 62.447 1.00 0.00 C ATOM 136 CD PRO A 9 102.956 58.077 61.886 1.00 0.00 C ATOM 0 HA PRO A 9 103.949 60.182 59.555 1.00 0.00 H new ATOM 0 HB2 PRO A 9 105.832 59.709 61.513 1.00 0.00 H new ATOM 0 HB3 PRO A 9 104.391 60.645 61.856 1.00 0.00 H new ATOM 0 HG2 PRO A 9 104.990 57.781 62.513 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.119 58.972 63.457 1.00 0.00 H new ATOM 0 HD2 PRO A 9 102.875 56.995 61.987 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.102 58.511 62.406 1.00 0.00 H new ATOM 144 N GLY A 10 106.383 59.005 59.179 1.00 0.00 N ATOM 145 CA GLY A 10 107.414 58.259 58.404 1.00 0.00 C ATOM 146 C GLY A 10 107.477 58.805 56.977 1.00 0.00 C ATOM 147 O GLY A 10 108.542 59.011 56.427 1.00 0.00 O ATOM 0 H GLY A 10 106.683 59.911 59.540 1.00 0.00 H new ATOM 0 HA2 GLY A 10 108.387 58.357 58.885 1.00 0.00 H new ATOM 0 HA3 GLY A 10 107.173 57.196 58.387 1.00 0.00 H new ATOM 151 N LEU A 11 106.346 59.041 56.370 1.00 0.00 N ATOM 152 CA LEU A 11 106.342 59.571 54.976 1.00 0.00 C ATOM 153 C LEU A 11 106.758 61.045 54.967 1.00 0.00 C ATOM 154 O LEU A 11 107.288 61.543 53.993 1.00 0.00 O ATOM 155 CB LEU A 11 104.897 59.421 54.499 1.00 0.00 C ATOM 156 CG LEU A 11 104.874 59.281 52.976 1.00 0.00 C ATOM 157 CD1 LEU A 11 103.454 58.954 52.513 1.00 0.00 C ATOM 158 CD2 LEU A 11 105.327 60.595 52.337 1.00 0.00 C ATOM 0 H LEU A 11 105.424 58.890 56.779 1.00 0.00 H new ATOM 0 HA LEU A 11 107.042 59.040 54.332 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.439 58.547 54.962 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.310 60.288 54.804 1.00 0.00 H new ATOM 0 HG LEU A 11 105.547 58.478 52.676 1.00 0.00 H new ATOM 0 HD11 LEU A 11 103.439 58.855 51.428 1.00 0.00 H new ATOM 0 HD12 LEU A 11 103.130 58.018 52.968 1.00 0.00 H new ATOM 0 HD13 LEU A 11 102.780 59.756 52.813 1.00 0.00 H new ATOM 0 HD21 LEU A 11 105.311 60.496 51.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 104.654 61.397 52.638 1.00 0.00 H new ATOM 0 HD23 LEU A 11 106.340 60.829 52.665 1.00 0.00 H new ATOM 170 N THR A 12 106.522 61.747 56.041 1.00 0.00 N ATOM 171 CA THR A 12 106.905 63.188 56.087 1.00 0.00 C ATOM 172 C THR A 12 108.427 63.334 56.013 1.00 0.00 C ATOM 173 O THR A 12 108.947 64.129 55.256 1.00 0.00 O ATOM 174 CB THR A 12 106.382 63.695 57.432 1.00 0.00 C ATOM 175 OG1 THR A 12 104.995 63.407 57.538 1.00 0.00 O ATOM 176 CG2 THR A 12 106.600 65.205 57.530 1.00 0.00 C ATOM 0 H THR A 12 106.081 61.387 56.888 1.00 0.00 H new ATOM 0 HA THR A 12 106.491 63.752 55.251 1.00 0.00 H new ATOM 0 HB THR A 12 106.919 63.200 58.241 1.00 0.00 H new ATOM 0 HG1 THR A 12 104.659 63.730 58.400 1.00 0.00 H new ATOM 0 HG21 THR A 12 106.227 65.565 58.489 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.665 65.425 57.449 1.00 0.00 H new ATOM 0 HG23 THR A 12 106.064 65.703 56.722 1.00 0.00 H new ATOM 184 N GLU A 13 109.141 62.572 56.792 1.00 0.00 N ATOM 185 CA GLU A 13 110.629 62.666 56.767 1.00 0.00 C ATOM 186 C GLU A 13 111.152 62.398 55.354 1.00 0.00 C ATOM 187 O GLU A 13 112.138 62.967 54.928 1.00 0.00 O ATOM 188 CB GLU A 13 111.110 61.581 57.732 1.00 0.00 C ATOM 189 CG GLU A 13 112.593 61.793 58.041 1.00 0.00 C ATOM 190 CD GLU A 13 112.890 61.333 59.469 1.00 0.00 C ATOM 191 OE1 GLU A 13 112.158 61.727 60.362 1.00 0.00 O ATOM 192 OE2 GLU A 13 113.845 60.595 59.646 1.00 0.00 O ATOM 0 H GLU A 13 108.760 61.888 57.445 1.00 0.00 H new ATOM 0 HA GLU A 13 110.986 63.655 57.055 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.528 61.614 58.653 1.00 0.00 H new ATOM 0 HB3 GLU A 13 110.956 60.595 57.293 1.00 0.00 H new ATOM 0 HG2 GLU A 13 113.206 61.235 57.333 1.00 0.00 H new ATOM 0 HG3 GLU A 13 112.852 62.845 57.926 1.00 0.00 H new ATOM 199 N LEU A 14 110.498 61.537 54.622 1.00 0.00 N ATOM 200 CA LEU A 14 110.958 61.235 53.235 1.00 0.00 C ATOM 201 C LEU A 14 110.782 62.467 52.342 1.00 0.00 C ATOM 202 O LEU A 14 111.727 62.974 51.769 1.00 0.00 O ATOM 203 CB LEU A 14 110.057 60.096 52.759 1.00 0.00 C ATOM 204 CG LEU A 14 110.893 59.073 51.989 1.00 0.00 C ATOM 205 CD1 LEU A 14 111.076 57.817 52.842 1.00 0.00 C ATOM 206 CD2 LEU A 14 110.175 58.705 50.688 1.00 0.00 C ATOM 0 H LEU A 14 109.666 61.030 54.924 1.00 0.00 H new ATOM 0 HA LEU A 14 112.013 60.963 53.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.574 59.619 53.612 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.264 60.487 52.122 1.00 0.00 H new ATOM 0 HG LEU A 14 111.869 59.501 51.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 111.672 57.088 52.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 111.586 58.078 53.769 1.00 0.00 H new ATOM 0 HD13 LEU A 14 110.101 57.389 53.073 1.00 0.00 H new ATOM 0 HD21 LEU A 14 110.770 57.976 50.138 1.00 0.00 H new ATOM 0 HD22 LEU A 14 109.199 58.277 50.919 1.00 0.00 H new ATOM 0 HD23 LEU A 14 110.044 59.600 50.079 1.00 0.00 H new ATOM 218 N LEU A 15 109.577 62.954 52.221 1.00 0.00 N ATOM 219 CA LEU A 15 109.346 64.153 51.367 1.00 0.00 C ATOM 220 C LEU A 15 110.232 65.306 51.843 1.00 0.00 C ATOM 221 O LEU A 15 110.815 66.018 51.050 1.00 0.00 O ATOM 222 CB LEU A 15 107.865 64.495 51.545 1.00 0.00 C ATOM 223 CG LEU A 15 106.999 63.326 51.062 1.00 0.00 C ATOM 224 CD1 LEU A 15 105.523 63.711 51.160 1.00 0.00 C ATOM 225 CD2 LEU A 15 107.341 62.997 49.605 1.00 0.00 C ATOM 0 H LEU A 15 108.746 62.575 52.675 1.00 0.00 H new ATOM 0 HA LEU A 15 109.590 63.973 50.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.655 64.706 52.594 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.621 65.397 50.983 1.00 0.00 H new ATOM 0 HG LEU A 15 107.193 62.453 51.686 1.00 0.00 H new ATOM 0 HD11 LEU A 15 104.907 62.880 50.817 1.00 0.00 H new ATOM 0 HD12 LEU A 15 105.275 63.943 52.196 1.00 0.00 H new ATOM 0 HD13 LEU A 15 105.333 64.585 50.537 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.723 62.166 49.265 1.00 0.00 H new ATOM 0 HD22 LEU A 15 107.150 63.870 48.980 1.00 0.00 H new ATOM 0 HD23 LEU A 15 108.393 62.721 49.532 1.00 0.00 H new ATOM 237 N GLN A 16 110.350 65.490 53.132 1.00 0.00 N ATOM 238 CA GLN A 16 111.211 66.589 53.653 1.00 0.00 C ATOM 239 C GLN A 16 112.595 66.512 53.008 1.00 0.00 C ATOM 240 O GLN A 16 113.174 67.512 52.634 1.00 0.00 O ATOM 241 CB GLN A 16 111.302 66.340 55.156 1.00 0.00 C ATOM 242 CG GLN A 16 110.651 67.504 55.898 1.00 0.00 C ATOM 243 CD GLN A 16 109.129 67.386 55.800 1.00 0.00 C ATOM 244 OE1 GLN A 16 108.600 67.044 54.762 1.00 0.00 O ATOM 245 NE2 GLN A 16 108.398 67.658 56.847 1.00 0.00 N ATOM 0 H GLN A 16 109.887 64.926 53.845 1.00 0.00 H new ATOM 0 HA GLN A 16 110.809 67.577 53.431 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.804 65.405 55.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.345 66.239 55.457 1.00 0.00 H new ATOM 0 HG2 GLN A 16 110.960 67.501 56.943 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.981 68.451 55.471 1.00 0.00 H new ATOM 0 HE21 GLN A 16 108.843 67.945 57.719 1.00 0.00 H new ATOM 0 HE22 GLN A 16 107.382 67.583 56.793 1.00 0.00 H new ATOM 254 N GLY A 17 113.124 65.327 52.861 1.00 0.00 N ATOM 255 CA GLY A 17 114.461 65.187 52.224 1.00 0.00 C ATOM 256 C GLY A 17 114.411 65.831 50.839 1.00 0.00 C ATOM 257 O GLY A 17 115.113 66.781 50.562 1.00 0.00 O ATOM 0 H GLY A 17 112.688 64.453 53.154 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.224 65.667 52.837 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.733 64.135 52.142 1.00 0.00 H new ATOM 261 N TYR A 18 113.571 65.327 49.972 1.00 0.00 N ATOM 262 CA TYR A 18 113.458 65.911 48.609 1.00 0.00 C ATOM 263 C TYR A 18 113.315 67.435 48.688 1.00 0.00 C ATOM 264 O TYR A 18 114.004 68.163 48.001 1.00 0.00 O ATOM 265 CB TYR A 18 112.199 65.276 48.022 1.00 0.00 C ATOM 266 CG TYR A 18 112.294 65.257 46.518 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.492 64.847 45.888 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.185 65.649 45.742 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.575 64.831 44.477 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.266 65.634 44.334 1.00 0.00 C ATOM 271 CZ TYR A 18 112.462 65.225 43.699 1.00 0.00 C ATOM 272 OH TYR A 18 112.546 65.211 42.319 1.00 0.00 O ATOM 0 H TYR A 18 112.957 64.533 50.154 1.00 0.00 H new ATOM 0 HA TYR A 18 114.339 65.716 47.998 1.00 0.00 H new ATOM 0 HB2 TYR A 18 112.081 64.261 48.401 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.318 65.837 48.333 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.341 64.547 46.484 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.272 65.961 46.226 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.488 64.518 43.993 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.415 65.935 43.741 1.00 0.00 H new ATOM 0 HH TYR A 18 113.487 65.240 42.048 1.00 0.00 H new ATOM 282 N THR A 19 112.442 67.928 49.532 1.00 0.00 N ATOM 283 CA THR A 19 112.286 69.410 49.657 1.00 0.00 C ATOM 284 C THR A 19 113.664 70.036 49.873 1.00 0.00 C ATOM 285 O THR A 19 114.096 70.895 49.129 1.00 0.00 O ATOM 286 CB THR A 19 111.396 69.618 50.883 1.00 0.00 C ATOM 287 OG1 THR A 19 110.455 68.556 50.969 1.00 0.00 O ATOM 288 CG2 THR A 19 110.654 70.950 50.757 1.00 0.00 C ATOM 0 H THR A 19 111.835 67.373 50.135 1.00 0.00 H new ATOM 0 HA THR A 19 111.849 69.870 48.770 1.00 0.00 H new ATOM 0 HB THR A 19 112.013 69.632 51.782 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.860 67.797 51.438 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.020 71.097 51.631 1.00 0.00 H new ATOM 0 HG22 THR A 19 111.376 71.764 50.691 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.037 70.939 49.859 1.00 0.00 H new ATOM 296 N VAL A 20 114.373 69.574 50.864 1.00 0.00 N ATOM 297 CA VAL A 20 115.743 70.097 51.108 1.00 0.00 C ATOM 298 C VAL A 20 116.586 69.786 49.869 1.00 0.00 C ATOM 299 O VAL A 20 117.325 70.610 49.368 1.00 0.00 O ATOM 300 CB VAL A 20 116.233 69.311 52.338 1.00 0.00 C ATOM 301 CG1 VAL A 20 117.768 69.241 52.367 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.732 70.000 53.609 1.00 0.00 C ATOM 0 H VAL A 20 114.061 68.855 51.517 1.00 0.00 H new ATOM 0 HA VAL A 20 115.796 71.171 51.284 1.00 0.00 H new ATOM 0 HB VAL A 20 115.841 68.295 52.282 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.090 68.681 53.245 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.127 68.742 51.467 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.177 70.250 52.410 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.077 69.447 54.483 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.120 71.018 53.648 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.642 70.027 53.603 1.00 0.00 H new ATOM 312 N GLU A 21 116.460 68.585 49.382 1.00 0.00 N ATOM 313 CA GLU A 21 117.222 68.165 48.179 1.00 0.00 C ATOM 314 C GLU A 21 117.041 69.174 47.046 1.00 0.00 C ATOM 315 O GLU A 21 117.975 69.821 46.618 1.00 0.00 O ATOM 316 CB GLU A 21 116.599 66.826 47.791 1.00 0.00 C ATOM 317 CG GLU A 21 117.700 65.810 47.541 1.00 0.00 C ATOM 318 CD GLU A 21 117.364 64.502 48.260 1.00 0.00 C ATOM 319 OE1 GLU A 21 117.123 64.551 49.455 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.352 63.474 47.603 1.00 0.00 O ATOM 0 H GLU A 21 115.851 67.867 49.774 1.00 0.00 H new ATOM 0 HA GLU A 21 118.293 68.097 48.370 1.00 0.00 H new ATOM 0 HB2 GLU A 21 115.939 66.476 48.585 1.00 0.00 H new ATOM 0 HB3 GLU A 21 115.987 66.943 46.897 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.808 65.631 46.471 1.00 0.00 H new ATOM 0 HG3 GLU A 21 118.654 66.198 47.897 1.00 0.00 H new ATOM 327 N VAL A 22 115.843 69.297 46.552 1.00 0.00 N ATOM 328 CA VAL A 22 115.591 70.250 45.434 1.00 0.00 C ATOM 329 C VAL A 22 116.064 71.656 45.816 1.00 0.00 C ATOM 330 O VAL A 22 116.451 72.439 44.972 1.00 0.00 O ATOM 331 CB VAL A 22 114.077 70.232 45.215 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.752 71.019 43.949 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.588 68.789 45.045 1.00 0.00 C ATOM 0 H VAL A 22 115.025 68.779 46.873 1.00 0.00 H new ATOM 0 HA VAL A 22 116.131 69.968 44.530 1.00 0.00 H new ATOM 0 HB VAL A 22 113.582 70.679 46.077 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.675 71.013 43.783 1.00 0.00 H new ATOM 0 HG12 VAL A 22 114.096 72.047 44.061 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.253 70.560 43.097 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.509 68.786 44.890 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.080 68.337 44.183 1.00 0.00 H new ATOM 0 HG23 VAL A 22 113.827 68.216 45.941 1.00 0.00 H new ATOM 343 N LEU A 23 116.037 71.982 47.079 1.00 0.00 N ATOM 344 CA LEU A 23 116.489 73.338 47.505 1.00 0.00 C ATOM 345 C LEU A 23 118.011 73.442 47.398 1.00 0.00 C ATOM 346 O LEU A 23 118.561 74.513 47.236 1.00 0.00 O ATOM 347 CB LEU A 23 116.041 73.466 48.961 1.00 0.00 C ATOM 348 CG LEU A 23 114.907 74.486 49.056 1.00 0.00 C ATOM 349 CD1 LEU A 23 115.397 75.844 48.550 1.00 0.00 C ATOM 350 CD2 LEU A 23 113.730 74.018 48.197 1.00 0.00 C ATOM 0 H LEU A 23 115.723 71.371 47.833 1.00 0.00 H new ATOM 0 HA LEU A 23 116.072 74.129 46.882 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.707 72.499 49.337 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.879 73.778 49.585 1.00 0.00 H new ATOM 0 HG LEU A 23 114.588 74.579 50.094 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.588 76.571 48.618 1.00 0.00 H new ATOM 0 HD12 LEU A 23 116.237 76.178 49.159 1.00 0.00 H new ATOM 0 HD13 LEU A 23 115.716 75.752 47.512 1.00 0.00 H new ATOM 0 HD21 LEU A 23 112.920 74.744 48.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 114.051 73.926 47.159 1.00 0.00 H new ATOM 0 HD23 LEU A 23 113.380 73.050 48.556 1.00 0.00 H new ATOM 362 N ARG A 24 118.697 72.335 47.482 1.00 0.00 N ATOM 363 CA ARG A 24 120.185 72.369 47.381 1.00 0.00 C ATOM 364 C ARG A 24 120.628 71.863 46.006 1.00 0.00 C ATOM 365 O ARG A 24 121.408 72.495 45.322 1.00 0.00 O ATOM 366 CB ARG A 24 120.677 71.428 48.481 1.00 0.00 C ATOM 367 CG ARG A 24 121.135 72.249 49.688 1.00 0.00 C ATOM 368 CD ARG A 24 119.920 72.902 50.350 1.00 0.00 C ATOM 369 NE ARG A 24 120.357 74.289 50.672 1.00 0.00 N ATOM 370 CZ ARG A 24 121.256 74.492 51.596 1.00 0.00 C ATOM 371 NH1 ARG A 24 120.910 74.499 52.854 1.00 0.00 N ATOM 372 NH2 ARG A 24 122.502 74.690 51.262 1.00 0.00 N ATOM 0 H ARG A 24 118.292 71.408 47.616 1.00 0.00 H new ATOM 0 HA ARG A 24 120.586 73.376 47.496 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.879 70.745 48.774 1.00 0.00 H new ATOM 0 HB3 ARG A 24 121.500 70.817 48.110 1.00 0.00 H new ATOM 0 HG2 ARG A 24 121.652 71.608 50.403 1.00 0.00 H new ATOM 0 HG3 ARG A 24 121.846 73.013 49.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 119.059 72.904 49.681 1.00 0.00 H new ATOM 0 HD3 ARG A 24 119.623 72.363 51.249 1.00 0.00 H new ATOM 0 HE ARG A 24 119.954 75.080 50.170 1.00 0.00 H new ATOM 0 HH11 ARG A 24 119.936 74.346 53.116 1.00 0.00 H new ATOM 0 HH12 ARG A 24 121.613 74.658 53.575 1.00 0.00 H new ATOM 0 HH21 ARG A 24 122.773 74.686 50.279 1.00 0.00 H new ATOM 0 HH22 ARG A 24 123.205 74.849 51.984 1.00 0.00 H new ATOM 386 N GLN A 25 120.137 70.724 45.599 1.00 0.00 N ATOM 387 CA GLN A 25 120.527 70.171 44.272 1.00 0.00 C ATOM 388 C GLN A 25 119.624 70.736 43.170 1.00 0.00 C ATOM 389 O GLN A 25 119.072 69.997 42.381 1.00 0.00 O ATOM 390 CB GLN A 25 120.326 68.661 44.406 1.00 0.00 C ATOM 391 CG GLN A 25 121.676 67.954 44.298 1.00 0.00 C ATOM 392 CD GLN A 25 121.728 66.792 45.292 1.00 0.00 C ATOM 393 OE1 GLN A 25 121.053 66.812 46.302 1.00 0.00 O ATOM 394 NE2 GLN A 25 122.506 65.774 45.046 1.00 0.00 N ATOM 0 H GLN A 25 119.481 70.152 46.130 1.00 0.00 H new ATOM 0 HA GLN A 25 121.551 70.429 44.002 1.00 0.00 H new ATOM 0 HB2 GLN A 25 119.858 68.430 45.363 1.00 0.00 H new ATOM 0 HB3 GLN A 25 119.653 68.303 43.627 1.00 0.00 H new ATOM 0 HG2 GLN A 25 121.824 67.585 43.283 1.00 0.00 H new ATOM 0 HG3 GLN A 25 122.483 68.657 44.502 1.00 0.00 H new ATOM 0 HE21 GLN A 25 123.072 65.758 44.198 1.00 0.00 H new ATOM 0 HE22 GLN A 25 122.548 64.994 45.702 1.00 0.00 H new ATOM 403 N GLN A 26 119.474 72.042 43.119 1.00 0.00 N ATOM 404 CA GLN A 26 118.606 72.689 42.077 1.00 0.00 C ATOM 405 C GLN A 26 118.759 71.990 40.717 1.00 0.00 C ATOM 406 O GLN A 26 119.676 72.273 39.973 1.00 0.00 O ATOM 407 CB GLN A 26 119.106 74.132 41.991 1.00 0.00 C ATOM 408 CG GLN A 26 118.070 75.069 42.617 1.00 0.00 C ATOM 409 CD GLN A 26 118.467 76.521 42.344 1.00 0.00 C ATOM 410 OE1 GLN A 26 117.660 77.309 41.893 1.00 0.00 O ATOM 411 NE2 GLN A 26 119.686 76.910 42.599 1.00 0.00 N ATOM 0 H GLN A 26 119.921 72.695 43.763 1.00 0.00 H new ATOM 0 HA GLN A 26 117.549 72.628 42.338 1.00 0.00 H new ATOM 0 HB2 GLN A 26 120.060 74.229 42.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.279 74.407 40.951 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.083 74.866 42.202 1.00 0.00 H new ATOM 0 HG3 GLN A 26 118.007 74.894 43.691 1.00 0.00 H new ATOM 0 HE21 GLN A 26 120.364 76.248 42.978 1.00 0.00 H new ATOM 0 HE22 GLN A 26 119.961 77.876 42.420 1.00 0.00 H new ATOM 420 N PRO A 27 117.852 71.083 40.450 1.00 0.00 N ATOM 421 CA PRO A 27 117.881 70.320 39.192 1.00 0.00 C ATOM 422 C PRO A 27 117.078 71.038 38.101 1.00 0.00 C ATOM 423 O PRO A 27 116.158 71.774 38.395 1.00 0.00 O ATOM 424 CB PRO A 27 117.214 69.004 39.577 1.00 0.00 C ATOM 425 CG PRO A 27 116.334 69.318 40.756 1.00 0.00 C ATOM 426 CD PRO A 27 116.721 70.681 41.285 1.00 0.00 C ATOM 0 HA PRO A 27 118.885 70.193 38.787 1.00 0.00 H new ATOM 0 HB2 PRO A 27 116.629 68.605 38.748 1.00 0.00 H new ATOM 0 HB3 PRO A 27 117.958 68.250 39.834 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.285 69.309 40.460 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.453 68.561 41.532 1.00 0.00 H new ATOM 0 HD2 PRO A 27 115.896 71.388 41.205 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.000 70.635 42.338 1.00 0.00 H new ATOM 434 N PRO A 28 117.447 70.792 36.867 1.00 0.00 N ATOM 435 CA PRO A 28 116.737 71.421 35.727 1.00 0.00 C ATOM 436 C PRO A 28 115.344 70.805 35.580 1.00 0.00 C ATOM 437 O PRO A 28 114.419 71.435 35.107 1.00 0.00 O ATOM 438 CB PRO A 28 117.616 71.086 34.524 1.00 0.00 C ATOM 439 CG PRO A 28 118.359 69.852 34.924 1.00 0.00 C ATOM 440 CD PRO A 28 118.541 69.921 36.418 1.00 0.00 C ATOM 0 HA PRO A 28 116.589 72.494 35.845 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.015 70.914 33.631 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.300 71.903 34.295 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.803 68.957 34.643 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.323 69.800 34.419 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.478 68.933 36.874 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.515 70.333 36.683 1.00 0.00 H new ATOM 448 N ASP A 29 115.192 69.577 35.991 1.00 0.00 N ATOM 449 CA ASP A 29 113.863 68.909 35.891 1.00 0.00 C ATOM 450 C ASP A 29 113.579 68.123 37.173 1.00 0.00 C ATOM 451 O ASP A 29 114.270 67.179 37.498 1.00 0.00 O ATOM 452 CB ASP A 29 113.981 67.960 34.699 1.00 0.00 C ATOM 453 CG ASP A 29 113.731 68.731 33.402 1.00 0.00 C ATOM 454 OD1 ASP A 29 112.696 69.368 33.305 1.00 0.00 O ATOM 455 OD2 ASP A 29 114.579 68.669 32.526 1.00 0.00 O ATOM 0 H ASP A 29 115.934 69.004 36.394 1.00 0.00 H new ATOM 0 HA ASP A 29 113.049 69.622 35.761 1.00 0.00 H new ATOM 0 HB2 ASP A 29 114.972 67.507 34.679 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.261 67.148 34.795 1.00 0.00 H new ATOM 460 N LEU A 30 112.571 68.508 37.903 1.00 0.00 N ATOM 461 CA LEU A 30 112.248 67.784 39.167 1.00 0.00 C ATOM 462 C LEU A 30 111.751 66.371 38.856 1.00 0.00 C ATOM 463 O LEU A 30 112.065 65.426 39.553 1.00 0.00 O ATOM 464 CB LEU A 30 111.143 68.611 39.823 1.00 0.00 C ATOM 465 CG LEU A 30 111.192 68.415 41.340 1.00 0.00 C ATOM 466 CD1 LEU A 30 111.289 69.777 42.027 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.919 67.702 41.801 1.00 0.00 C ATOM 0 H LEU A 30 111.956 69.291 37.681 1.00 0.00 H new ATOM 0 HA LEU A 30 113.117 67.677 39.816 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.269 69.666 39.578 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.170 68.308 39.438 1.00 0.00 H new ATOM 0 HG LEU A 30 112.063 67.813 41.602 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.324 69.638 43.108 1.00 0.00 H new ATOM 0 HD12 LEU A 30 112.194 70.287 41.697 1.00 0.00 H new ATOM 0 HD13 LEU A 30 110.418 70.379 41.767 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.952 67.561 42.881 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.049 68.305 41.540 1.00 0.00 H new ATOM 0 HD23 LEU A 30 109.848 66.731 41.311 1.00 0.00 H new ATOM 479 N VAL A 31 110.982 66.215 37.812 1.00 0.00 N ATOM 480 CA VAL A 31 110.472 64.857 37.460 1.00 0.00 C ATOM 481 C VAL A 31 111.639 63.877 37.348 1.00 0.00 C ATOM 482 O VAL A 31 111.769 62.952 38.127 1.00 0.00 O ATOM 483 CB VAL A 31 109.791 65.024 36.102 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.114 63.710 35.706 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.735 66.128 36.194 1.00 0.00 C ATOM 0 H VAL A 31 110.685 66.966 37.189 1.00 0.00 H new ATOM 0 HA VAL A 31 109.788 64.465 38.213 1.00 0.00 H new ATOM 0 HB VAL A 31 110.536 65.292 35.353 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.628 63.828 34.738 1.00 0.00 H new ATOM 0 HG12 VAL A 31 109.862 62.920 35.642 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.369 63.444 36.456 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.249 66.248 35.226 1.00 0.00 H new ATOM 0 HG22 VAL A 31 107.991 65.858 36.943 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.213 67.066 36.479 1.00 0.00 H new ATOM 495 N ASP A 32 112.493 64.077 36.384 1.00 0.00 N ATOM 496 CA ASP A 32 113.657 63.167 36.215 1.00 0.00 C ATOM 497 C ASP A 32 114.485 63.133 37.502 1.00 0.00 C ATOM 498 O ASP A 32 115.039 62.116 37.870 1.00 0.00 O ATOM 499 CB ASP A 32 114.459 63.776 35.068 1.00 0.00 C ATOM 500 CG ASP A 32 115.220 62.673 34.332 1.00 0.00 C ATOM 501 OD1 ASP A 32 114.697 61.574 34.249 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.315 62.944 33.866 1.00 0.00 O ATOM 0 H ASP A 32 112.434 64.835 35.704 1.00 0.00 H new ATOM 0 HA ASP A 32 113.362 62.139 36.004 1.00 0.00 H new ATOM 0 HB2 ASP A 32 113.792 64.293 34.379 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.157 64.519 35.453 1.00 0.00 H new ATOM 507 N PHE A 33 114.568 64.237 38.194 1.00 0.00 N ATOM 508 CA PHE A 33 115.354 64.262 39.460 1.00 0.00 C ATOM 509 C PHE A 33 114.673 63.377 40.507 1.00 0.00 C ATOM 510 O PHE A 33 115.314 62.606 41.194 1.00 0.00 O ATOM 511 CB PHE A 33 115.354 65.725 39.904 1.00 0.00 C ATOM 512 CG PHE A 33 116.088 65.851 41.217 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.473 65.576 41.285 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.389 66.241 42.382 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.157 65.690 42.516 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.074 66.356 43.612 1.00 0.00 C ATOM 517 CZ PHE A 33 117.457 66.080 43.679 1.00 0.00 C ATOM 0 H PHE A 33 114.127 65.120 37.938 1.00 0.00 H new ATOM 0 HA PHE A 33 116.368 63.884 39.330 1.00 0.00 H new ATOM 0 HB2 PHE A 33 115.832 66.346 39.147 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.330 66.084 40.011 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.009 65.279 40.396 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.331 66.451 42.332 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.215 65.479 42.568 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.540 66.655 44.502 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.980 66.167 44.620 1.00 0.00 H new ATOM 527 N ALA A 34 113.378 63.478 40.629 1.00 0.00 N ATOM 528 CA ALA A 34 112.653 62.639 41.626 1.00 0.00 C ATOM 529 C ALA A 34 112.819 61.157 41.281 1.00 0.00 C ATOM 530 O ALA A 34 112.824 60.303 42.145 1.00 0.00 O ATOM 531 CB ALA A 34 111.185 63.054 41.505 1.00 0.00 C ATOM 0 H ALA A 34 112.790 64.106 40.081 1.00 0.00 H new ATOM 0 HA ALA A 34 113.032 62.779 42.638 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.585 62.478 42.210 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.088 64.116 41.728 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.835 62.863 40.490 1.00 0.00 H new ATOM 537 N VAL A 35 112.954 60.848 40.021 1.00 0.00 N ATOM 538 CA VAL A 35 113.120 59.430 39.610 1.00 0.00 C ATOM 539 C VAL A 35 114.547 58.960 39.901 1.00 0.00 C ATOM 540 O VAL A 35 114.761 57.911 40.474 1.00 0.00 O ATOM 541 CB VAL A 35 112.848 59.437 38.107 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.102 58.046 37.537 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.391 59.832 37.855 1.00 0.00 C ATOM 0 H VAL A 35 112.956 61.522 39.256 1.00 0.00 H new ATOM 0 HA VAL A 35 112.454 58.754 40.146 1.00 0.00 H new ATOM 0 HB VAL A 35 113.510 60.155 37.622 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.908 58.051 36.464 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.139 57.763 37.717 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.441 57.328 38.022 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.196 59.837 36.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.730 59.114 38.341 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.208 60.826 38.262 1.00 0.00 H new ATOM 553 N GLU A 36 115.526 59.726 39.507 1.00 0.00 N ATOM 554 CA GLU A 36 116.939 59.321 39.756 1.00 0.00 C ATOM 555 C GLU A 36 117.190 59.147 41.257 1.00 0.00 C ATOM 556 O GLU A 36 118.057 58.402 41.669 1.00 0.00 O ATOM 557 CB GLU A 36 117.781 60.467 39.198 1.00 0.00 C ATOM 558 CG GLU A 36 117.716 60.452 37.669 1.00 0.00 C ATOM 559 CD GLU A 36 119.002 59.844 37.108 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.538 58.951 37.743 1.00 0.00 O ATOM 561 OE2 GLU A 36 119.429 60.280 36.051 1.00 0.00 O ATOM 0 H GLU A 36 115.409 60.616 39.023 1.00 0.00 H new ATOM 0 HA GLU A 36 117.183 58.368 39.286 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.414 61.420 39.579 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.815 60.368 39.529 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.853 59.874 37.337 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.585 61.466 37.290 1.00 0.00 H new ATOM 568 N TYR A 37 116.439 59.828 42.079 1.00 0.00 N ATOM 569 CA TYR A 37 116.641 59.702 43.552 1.00 0.00 C ATOM 570 C TYR A 37 116.009 58.407 44.072 1.00 0.00 C ATOM 571 O TYR A 37 116.695 57.496 44.490 1.00 0.00 O ATOM 572 CB TYR A 37 115.940 60.923 44.152 1.00 0.00 C ATOM 573 CG TYR A 37 115.997 60.854 45.662 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.192 60.470 46.310 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.851 61.175 46.425 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.243 60.407 47.721 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.903 61.112 47.835 1.00 0.00 C ATOM 578 CZ TYR A 37 116.098 60.728 48.484 1.00 0.00 C ATOM 579 OH TYR A 37 116.147 60.667 49.862 1.00 0.00 O ATOM 0 H TYR A 37 115.695 60.466 41.796 1.00 0.00 H new ATOM 0 HA TYR A 37 117.697 59.663 43.820 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.419 61.838 43.802 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.903 60.959 43.819 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.067 60.224 45.727 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.937 61.468 45.930 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.157 60.114 48.216 1.00 0.00 H new ATOM 0 HE2 TYR A 37 114.028 61.358 48.418 1.00 0.00 H new ATOM 0 HH TYR A 37 115.275 60.920 50.232 1.00 0.00 H new ATOM 589 N PHE A 38 114.707 58.321 44.055 1.00 0.00 N ATOM 590 CA PHE A 38 114.036 57.086 44.555 1.00 0.00 C ATOM 591 C PHE A 38 114.538 55.857 43.794 1.00 0.00 C ATOM 592 O PHE A 38 114.844 54.836 44.381 1.00 0.00 O ATOM 593 CB PHE A 38 112.547 57.311 44.295 1.00 0.00 C ATOM 594 CG PHE A 38 112.029 58.368 45.240 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.337 58.297 46.617 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.236 59.429 44.748 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.854 59.287 47.502 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.752 60.419 45.632 1.00 0.00 C ATOM 599 CZ PHE A 38 111.061 60.348 47.008 1.00 0.00 C ATOM 0 H PHE A 38 114.079 59.051 43.717 1.00 0.00 H new ATOM 0 HA PHE A 38 114.243 56.905 45.610 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.389 57.622 43.262 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.997 56.380 44.435 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.942 57.485 46.993 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.000 59.483 43.696 1.00 0.00 H new ATOM 0 HE1 PHE A 38 112.090 59.233 48.554 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.146 61.230 45.256 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.691 61.105 47.684 1.00 0.00 H new ATOM 609 N THR A 39 114.631 55.941 42.495 1.00 0.00 N ATOM 610 CA THR A 39 115.118 54.769 41.709 1.00 0.00 C ATOM 611 C THR A 39 116.465 54.293 42.258 1.00 0.00 C ATOM 612 O THR A 39 116.697 53.112 42.422 1.00 0.00 O ATOM 613 CB THR A 39 115.275 55.281 40.277 1.00 0.00 C ATOM 614 OG1 THR A 39 114.013 55.713 39.788 1.00 0.00 O ATOM 615 CG2 THR A 39 115.810 54.156 39.389 1.00 0.00 C ATOM 0 H THR A 39 114.392 56.766 41.945 1.00 0.00 H new ATOM 0 HA THR A 39 114.432 53.924 41.763 1.00 0.00 H new ATOM 0 HB THR A 39 115.975 56.117 40.264 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.841 56.629 40.091 1.00 0.00 H new ATOM 0 HG21 THR A 39 115.922 54.521 38.368 1.00 0.00 H new ATOM 0 HG22 THR A 39 116.778 53.825 39.765 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.111 53.320 39.401 1.00 0.00 H new ATOM 623 N ARG A 40 117.353 55.205 42.545 1.00 0.00 N ATOM 624 CA ARG A 40 118.683 54.803 43.087 1.00 0.00 C ATOM 625 C ARG A 40 118.519 54.179 44.476 1.00 0.00 C ATOM 626 O ARG A 40 119.265 53.302 44.865 1.00 0.00 O ATOM 627 CB ARG A 40 119.486 56.100 43.171 1.00 0.00 C ATOM 628 CG ARG A 40 120.976 55.771 43.282 1.00 0.00 C ATOM 629 CD ARG A 40 121.794 56.871 42.604 1.00 0.00 C ATOM 630 NE ARG A 40 121.989 57.906 43.657 1.00 0.00 N ATOM 631 CZ ARG A 40 122.225 59.144 43.319 1.00 0.00 C ATOM 632 NH1 ARG A 40 121.283 59.861 42.768 1.00 0.00 N ATOM 633 NH2 ARG A 40 123.403 59.666 43.531 1.00 0.00 N ATOM 0 H ARG A 40 117.216 56.209 42.428 1.00 0.00 H new ATOM 0 HA ARG A 40 119.178 54.060 42.462 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.303 56.712 42.288 1.00 0.00 H new ATOM 0 HB3 ARG A 40 119.166 56.683 44.035 1.00 0.00 H new ATOM 0 HG2 ARG A 40 121.263 55.684 44.330 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.183 54.809 42.814 1.00 0.00 H new ATOM 0 HD2 ARG A 40 122.749 56.488 42.244 1.00 0.00 H new ATOM 0 HD3 ARG A 40 121.268 57.279 41.741 1.00 0.00 H new ATOM 0 HE ARG A 40 121.938 57.647 44.642 1.00 0.00 H new ATOM 0 HH11 ARG A 40 120.363 59.453 42.602 1.00 0.00 H new ATOM 0 HH12 ARG A 40 121.467 60.829 42.504 1.00 0.00 H new ATOM 0 HH21 ARG A 40 124.139 59.106 43.961 1.00 0.00 H new ATOM 0 HH22 ARG A 40 123.587 60.634 43.267 1.00 0.00 H new ATOM 647 N LEU A 41 117.547 54.624 45.226 1.00 0.00 N ATOM 648 CA LEU A 41 117.336 54.053 46.587 1.00 0.00 C ATOM 649 C LEU A 41 116.938 52.579 46.481 1.00 0.00 C ATOM 650 O LEU A 41 117.373 51.750 47.255 1.00 0.00 O ATOM 651 CB LEU A 41 116.198 54.875 47.193 1.00 0.00 C ATOM 652 CG LEU A 41 116.770 55.873 48.202 1.00 0.00 C ATOM 653 CD1 LEU A 41 117.251 57.125 47.466 1.00 0.00 C ATOM 654 CD2 LEU A 41 115.684 56.259 49.208 1.00 0.00 C ATOM 0 H LEU A 41 116.891 55.357 44.956 1.00 0.00 H new ATOM 0 HA LEU A 41 118.237 54.097 47.199 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.659 55.405 46.407 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.481 54.217 47.683 1.00 0.00 H new ATOM 0 HG LEU A 41 117.608 55.417 48.728 1.00 0.00 H new ATOM 0 HD11 LEU A 41 117.658 57.836 48.185 1.00 0.00 H new ATOM 0 HD12 LEU A 41 118.025 56.851 46.749 1.00 0.00 H new ATOM 0 HD13 LEU A 41 116.413 57.582 46.939 1.00 0.00 H new ATOM 0 HD21 LEU A 41 116.090 56.970 49.927 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.846 56.715 48.681 1.00 0.00 H new ATOM 0 HD23 LEU A 41 115.341 55.368 49.733 1.00 0.00 H new ATOM 666 N ARG A 42 116.112 52.247 45.526 1.00 0.00 N ATOM 667 CA ARG A 42 115.686 50.827 45.369 1.00 0.00 C ATOM 668 C ARG A 42 116.901 49.938 45.085 1.00 0.00 C ATOM 669 O ARG A 42 117.002 48.833 45.579 1.00 0.00 O ATOM 670 CB ARG A 42 114.735 50.829 44.171 1.00 0.00 C ATOM 671 CG ARG A 42 113.289 50.762 44.666 1.00 0.00 C ATOM 672 CD ARG A 42 112.712 49.377 44.369 1.00 0.00 C ATOM 673 NE ARG A 42 111.939 49.013 45.589 1.00 0.00 N ATOM 674 CZ ARG A 42 111.610 47.768 45.805 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.446 46.969 46.408 1.00 0.00 N ATOM 676 NH2 ARG A 42 110.445 47.325 45.418 1.00 0.00 N ATOM 0 H ARG A 42 115.714 52.897 44.848 1.00 0.00 H new ATOM 0 HA ARG A 42 115.210 50.438 46.269 1.00 0.00 H new ATOM 0 HB2 ARG A 42 114.885 51.730 43.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 114.948 49.979 43.523 1.00 0.00 H new ATOM 0 HG2 ARG A 42 113.250 50.962 45.737 1.00 0.00 H new ATOM 0 HG3 ARG A 42 112.690 51.530 44.177 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.072 49.397 43.487 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.503 48.653 44.172 1.00 0.00 H new ATOM 0 HE ARG A 42 111.667 49.736 46.255 1.00 0.00 H new ATOM 0 HH11 ARG A 42 113.356 47.317 46.710 1.00 0.00 H new ATOM 0 HH12 ARG A 42 112.190 45.996 46.577 1.00 0.00 H new ATOM 0 HH21 ARG A 42 109.792 47.951 44.947 1.00 0.00 H new ATOM 0 HH22 ARG A 42 110.188 46.353 45.586 1.00 0.00 H new ATOM 690 N GLU A 43 117.821 50.413 44.291 1.00 0.00 N ATOM 691 CA GLU A 43 119.028 49.596 43.974 1.00 0.00 C ATOM 692 C GLU A 43 120.006 49.615 45.151 1.00 0.00 C ATOM 693 O GLU A 43 120.838 48.741 45.294 1.00 0.00 O ATOM 694 CB GLU A 43 119.649 50.269 42.749 1.00 0.00 C ATOM 695 CG GLU A 43 118.725 50.086 41.543 1.00 0.00 C ATOM 696 CD GLU A 43 119.173 51.014 40.412 1.00 0.00 C ATOM 697 OE1 GLU A 43 120.156 50.694 39.765 1.00 0.00 O ATOM 698 OE2 GLU A 43 118.525 52.027 40.212 1.00 0.00 O ATOM 0 H GLU A 43 117.790 51.331 43.848 1.00 0.00 H new ATOM 0 HA GLU A 43 118.782 48.551 43.785 1.00 0.00 H new ATOM 0 HB2 GLU A 43 119.805 51.330 42.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 120.627 49.836 42.540 1.00 0.00 H new ATOM 0 HG2 GLU A 43 118.748 49.049 41.208 1.00 0.00 H new ATOM 0 HG3 GLU A 43 117.695 50.308 41.823 1.00 0.00 H new ATOM 705 N ALA A 44 119.912 50.604 45.996 1.00 0.00 N ATOM 706 CA ALA A 44 120.836 50.678 47.166 1.00 0.00 C ATOM 707 C ALA A 44 120.635 49.472 48.077 1.00 0.00 C ATOM 708 O ALA A 44 121.512 48.647 48.243 1.00 0.00 O ATOM 709 CB ALA A 44 120.441 51.951 47.910 1.00 0.00 C ATOM 0 H ALA A 44 119.236 51.365 45.928 1.00 0.00 H new ATOM 0 HA ALA A 44 121.881 50.685 46.855 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.079 52.073 48.786 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.562 52.810 47.250 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.400 51.880 48.226 1.00 0.00 H new ATOM 715 N ARG A 45 119.484 49.374 48.684 1.00 0.00 N ATOM 716 CA ARG A 45 119.217 48.235 49.604 1.00 0.00 C ATOM 717 C ARG A 45 119.598 46.905 48.945 1.00 0.00 C ATOM 718 O ARG A 45 119.196 46.615 47.835 1.00 0.00 O ATOM 719 CB ARG A 45 117.713 48.288 49.876 1.00 0.00 C ATOM 720 CG ARG A 45 117.332 47.179 50.857 1.00 0.00 C ATOM 721 CD ARG A 45 117.228 47.759 52.270 1.00 0.00 C ATOM 722 NE ARG A 45 115.823 48.240 52.387 1.00 0.00 N ATOM 723 CZ ARG A 45 115.134 47.983 53.464 1.00 0.00 C ATOM 724 NH1 ARG A 45 115.455 48.549 54.595 1.00 0.00 N ATOM 725 NH2 ARG A 45 114.124 47.159 53.411 1.00 0.00 N ATOM 0 H ARG A 45 118.715 50.036 48.581 1.00 0.00 H new ATOM 0 HA ARG A 45 119.802 48.307 50.521 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.441 49.260 50.287 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.160 48.170 48.944 1.00 0.00 H new ATOM 0 HG2 ARG A 45 116.382 46.732 50.565 1.00 0.00 H new ATOM 0 HG3 ARG A 45 118.079 46.385 50.833 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.451 47.004 53.024 1.00 0.00 H new ATOM 0 HD3 ARG A 45 117.937 48.574 52.415 1.00 0.00 H new ATOM 0 HE ARG A 45 115.400 48.770 51.625 1.00 0.00 H new ATOM 0 HH11 ARG A 45 116.245 49.193 54.637 1.00 0.00 H new ATOM 0 HH12 ARG A 45 114.916 48.348 55.437 1.00 0.00 H new ATOM 0 HH21 ARG A 45 113.873 46.716 52.527 1.00 0.00 H new ATOM 0 HH22 ARG A 45 113.585 46.958 54.253 1.00 0.00 H new ATOM 739 N ARG A 46 120.369 46.096 49.619 1.00 0.00 N ATOM 740 CA ARG A 46 120.775 44.788 49.029 1.00 0.00 C ATOM 741 C ARG A 46 121.392 44.999 47.644 1.00 0.00 C ATOM 742 O ARG A 46 122.056 46.007 47.462 1.00 0.00 O ATOM 743 CB ARG A 46 119.479 43.983 48.922 1.00 0.00 C ATOM 744 CG ARG A 46 119.746 42.529 49.316 1.00 0.00 C ATOM 745 CD ARG A 46 119.814 42.418 50.841 1.00 0.00 C ATOM 746 NE ARG A 46 119.375 41.027 51.144 1.00 0.00 N ATOM 747 CZ ARG A 46 119.872 40.398 52.173 1.00 0.00 C ATOM 748 NH1 ARG A 46 121.103 39.966 52.142 1.00 0.00 N ATOM 749 NH2 ARG A 46 119.138 40.200 53.234 1.00 0.00 N ATOM 750 OXT ARG A 46 121.191 44.151 46.792 1.00 0.00 O ATOM 0 H ARG A 46 120.735 46.284 50.552 1.00 0.00 H new ATOM 0 HA ARG A 46 121.524 44.277 49.634 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.717 44.413 49.572 1.00 0.00 H new ATOM 0 HB3 ARG A 46 119.093 44.030 47.904 1.00 0.00 H new ATOM 0 HG2 ARG A 46 118.956 41.885 48.929 1.00 0.00 H new ATOM 0 HG3 ARG A 46 120.682 42.187 48.874 1.00 0.00 H new ATOM 0 HD2 ARG A 46 120.825 42.602 51.206 1.00 0.00 H new ATOM 0 HD3 ARG A 46 119.164 43.151 51.320 1.00 0.00 H new ATOM 0 HE ARG A 46 118.687 40.567 50.548 1.00 0.00 H new ATOM 0 HH11 ARG A 46 121.677 40.120 51.313 1.00 0.00 H new ATOM 0 HH12 ARG A 46 121.491 39.474 52.947 1.00 0.00 H new ATOM 0 HH21 ARG A 46 118.176 40.537 53.259 1.00 0.00 H new ATOM 0 HH22 ARG A 46 119.527 39.708 54.039 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 120.674 93.290 50.896 1.00 0.00 N ATOM 766 CA HIS B 1 119.721 92.287 51.456 1.00 0.00 C ATOM 767 C HIS B 1 118.346 92.926 51.671 1.00 0.00 C ATOM 768 O HIS B 1 118.100 93.571 52.669 1.00 0.00 O ATOM 769 CB HIS B 1 120.329 91.867 52.794 1.00 0.00 C ATOM 770 CG HIS B 1 121.391 90.828 52.559 1.00 0.00 C ATOM 771 ND1 HIS B 1 121.157 89.692 51.800 1.00 0.00 N ATOM 772 CD2 HIS B 1 122.697 90.738 52.976 1.00 0.00 C ATOM 773 CE1 HIS B 1 122.295 88.975 51.783 1.00 0.00 C ATOM 774 NE2 HIS B 1 123.266 89.567 52.485 1.00 0.00 N ATOM 0 H1 HIS B 1 121.603 92.845 50.755 1.00 0.00 H new ATOM 0 H2 HIS B 1 120.315 93.639 49.984 1.00 0.00 H new ATOM 0 H3 HIS B 1 120.769 94.086 51.558 1.00 0.00 H new ATOM 0 HA HIS B 1 119.577 91.438 50.788 1.00 0.00 H new ATOM 0 HB2 HIS B 1 120.758 92.733 53.298 1.00 0.00 H new ATOM 0 HB3 HIS B 1 119.554 91.468 53.449 1.00 0.00 H new ATOM 0 HD2 HIS B 1 123.205 91.466 53.592 1.00 0.00 H new ATOM 0 HE1 HIS B 1 122.410 88.035 51.265 1.00 0.00 H new ATOM 0 HE2 HIS B 1 124.219 89.233 52.630 1.00 0.00 H new ATOM 784 N MET B 2 117.449 92.752 50.739 1.00 0.00 N ATOM 785 CA MET B 2 116.092 93.349 50.891 1.00 0.00 C ATOM 786 C MET B 2 115.219 92.457 51.779 1.00 0.00 C ATOM 787 O MET B 2 114.305 92.921 52.433 1.00 0.00 O ATOM 788 CB MET B 2 115.525 93.410 49.472 1.00 0.00 C ATOM 789 CG MET B 2 114.219 94.207 49.479 1.00 0.00 C ATOM 790 SD MET B 2 113.740 94.593 47.777 1.00 0.00 S ATOM 791 CE MET B 2 114.690 96.125 47.615 1.00 0.00 C ATOM 0 H MET B 2 117.597 92.223 49.880 1.00 0.00 H new ATOM 0 HA MET B 2 116.123 94.332 51.360 1.00 0.00 H new ATOM 0 HB2 MET B 2 116.245 93.878 48.801 1.00 0.00 H new ATOM 0 HB3 MET B 2 115.347 92.402 49.096 1.00 0.00 H new ATOM 0 HG2 MET B 2 113.432 93.633 49.968 1.00 0.00 H new ATOM 0 HG3 MET B 2 114.345 95.127 50.050 1.00 0.00 H new ATOM 0 HE1 MET B 2 114.538 96.544 46.620 1.00 0.00 H new ATOM 0 HE2 MET B 2 114.355 96.842 48.365 1.00 0.00 H new ATOM 0 HE3 MET B 2 115.749 95.914 47.762 1.00 0.00 H new ATOM 801 N GLY B 3 115.494 91.181 51.809 1.00 0.00 N ATOM 802 CA GLY B 3 114.680 90.264 52.655 1.00 0.00 C ATOM 803 C GLY B 3 115.389 88.914 52.772 1.00 0.00 C ATOM 804 O GLY B 3 116.601 88.833 52.735 1.00 0.00 O ATOM 0 H GLY B 3 116.247 90.735 51.285 1.00 0.00 H new ATOM 0 HA2 GLY B 3 114.535 90.698 53.644 1.00 0.00 H new ATOM 0 HA3 GLY B 3 113.691 90.130 52.217 1.00 0.00 H new ATOM 808 N HIS B 4 114.644 87.853 52.915 1.00 0.00 N ATOM 809 CA HIS B 4 115.275 86.507 53.035 1.00 0.00 C ATOM 810 C HIS B 4 114.287 85.422 52.599 1.00 0.00 C ATOM 811 O HIS B 4 114.240 84.348 53.165 1.00 0.00 O ATOM 812 CB HIS B 4 115.612 86.360 54.519 1.00 0.00 C ATOM 813 CG HIS B 4 114.355 86.501 55.334 1.00 0.00 C ATOM 814 ND1 HIS B 4 113.917 87.727 55.811 1.00 0.00 N ATOM 815 CD2 HIS B 4 113.434 85.580 55.766 1.00 0.00 C ATOM 816 CE1 HIS B 4 112.778 87.512 56.495 1.00 0.00 C ATOM 817 NE2 HIS B 4 112.438 86.220 56.498 1.00 0.00 N ATOM 0 H HIS B 4 113.625 87.859 52.954 1.00 0.00 H new ATOM 0 HA HIS B 4 116.158 86.405 52.404 1.00 0.00 H new ATOM 0 HB2 HIS B 4 116.072 85.389 54.704 1.00 0.00 H new ATOM 0 HB3 HIS B 4 116.337 87.118 54.815 1.00 0.00 H new ATOM 0 HD2 HIS B 4 113.476 84.519 55.568 1.00 0.00 H new ATOM 0 HE1 HIS B 4 112.208 88.289 56.982 1.00 0.00 H new ATOM 0 HE2 HIS B 4 111.624 85.794 56.941 1.00 0.00 H new ATOM 825 N ILE B 5 113.497 85.696 51.598 1.00 0.00 N ATOM 826 CA ILE B 5 112.510 84.682 51.126 1.00 0.00 C ATOM 827 C ILE B 5 112.879 84.189 49.723 1.00 0.00 C ATOM 828 O ILE B 5 113.185 84.967 48.842 1.00 0.00 O ATOM 829 CB ILE B 5 111.166 85.414 51.105 1.00 0.00 C ATOM 830 CG1 ILE B 5 110.056 84.428 50.732 1.00 0.00 C ATOM 831 CG2 ILE B 5 111.209 86.548 50.075 1.00 0.00 C ATOM 832 CD1 ILE B 5 108.982 84.429 51.822 1.00 0.00 C ATOM 0 H ILE B 5 113.491 86.578 51.086 1.00 0.00 H new ATOM 0 HA ILE B 5 112.484 83.803 51.770 1.00 0.00 H new ATOM 0 HB ILE B 5 110.968 85.832 52.092 1.00 0.00 H new ATOM 0 HG12 ILE B 5 109.616 84.705 49.774 1.00 0.00 H new ATOM 0 HG13 ILE B 5 110.469 83.426 50.615 1.00 0.00 H new ATOM 0 HG21 ILE B 5 110.250 87.066 50.064 1.00 0.00 H new ATOM 0 HG22 ILE B 5 111.998 87.251 50.341 1.00 0.00 H new ATOM 0 HG23 ILE B 5 111.409 86.134 49.087 1.00 0.00 H new ATOM 0 HD11 ILE B 5 108.192 83.727 51.555 1.00 0.00 H new ATOM 0 HD12 ILE B 5 109.427 84.131 52.771 1.00 0.00 H new ATOM 0 HD13 ILE B 5 108.561 85.430 51.917 1.00 0.00 H new ATOM 844 N GLN B 6 112.847 82.902 49.510 1.00 0.00 N ATOM 845 CA GLN B 6 113.190 82.361 48.164 1.00 0.00 C ATOM 846 C GLN B 6 112.547 80.985 47.965 1.00 0.00 C ATOM 847 O GLN B 6 113.210 80.021 47.637 1.00 0.00 O ATOM 848 CB GLN B 6 114.716 82.248 48.157 1.00 0.00 C ATOM 849 CG GLN B 6 115.173 81.392 49.339 1.00 0.00 C ATOM 850 CD GLN B 6 116.701 81.393 49.408 1.00 0.00 C ATOM 851 OE1 GLN B 6 117.274 81.708 50.432 1.00 0.00 O ATOM 852 NE2 GLN B 6 117.390 81.051 48.353 1.00 0.00 N ATOM 0 H GLN B 6 112.598 82.202 50.209 1.00 0.00 H new ATOM 0 HA GLN B 6 112.826 82.999 47.359 1.00 0.00 H new ATOM 0 HB2 GLN B 6 115.053 81.803 47.221 1.00 0.00 H new ATOM 0 HB3 GLN B 6 115.164 83.240 48.218 1.00 0.00 H new ATOM 0 HG2 GLN B 6 114.756 81.782 50.267 1.00 0.00 H new ATOM 0 HG3 GLN B 6 114.804 80.372 49.228 1.00 0.00 H new ATOM 0 HE21 GLN B 6 116.909 80.787 47.493 1.00 0.00 H new ATOM 0 HE22 GLN B 6 118.409 81.048 48.388 1.00 0.00 H new ATOM 861 N ILE B 7 111.259 80.887 48.162 1.00 0.00 N ATOM 862 CA ILE B 7 110.574 79.575 47.984 1.00 0.00 C ATOM 863 C ILE B 7 109.451 79.700 46.946 1.00 0.00 C ATOM 864 O ILE B 7 108.347 80.082 47.277 1.00 0.00 O ATOM 865 CB ILE B 7 109.995 79.236 49.357 1.00 0.00 C ATOM 866 CG1 ILE B 7 111.131 79.118 50.376 1.00 0.00 C ATOM 867 CG2 ILE B 7 109.244 77.906 49.278 1.00 0.00 C ATOM 868 CD1 ILE B 7 112.093 78.011 49.944 1.00 0.00 C ATOM 0 H ILE B 7 110.652 81.659 48.438 1.00 0.00 H new ATOM 0 HA ILE B 7 111.255 78.802 47.627 1.00 0.00 H new ATOM 0 HB ILE B 7 109.309 80.025 49.666 1.00 0.00 H new ATOM 0 HG12 ILE B 7 111.663 80.066 50.454 1.00 0.00 H new ATOM 0 HG13 ILE B 7 110.726 78.897 51.364 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.830 77.663 50.257 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.435 77.988 48.552 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.931 77.118 48.969 1.00 0.00 H new ATOM 0 HD11 ILE B 7 112.902 77.928 50.670 1.00 0.00 H new ATOM 0 HD12 ILE B 7 111.556 77.064 49.888 1.00 0.00 H new ATOM 0 HD13 ILE B 7 112.508 78.251 48.965 1.00 0.00 H new ATOM 880 N PRO B 8 109.768 79.371 45.717 1.00 0.00 N ATOM 881 CA PRO B 8 108.762 79.451 44.630 1.00 0.00 C ATOM 882 C PRO B 8 107.740 78.313 44.764 1.00 0.00 C ATOM 883 O PRO B 8 108.102 77.196 45.075 1.00 0.00 O ATOM 884 CB PRO B 8 109.590 79.293 43.359 1.00 0.00 C ATOM 885 CG PRO B 8 110.813 78.548 43.784 1.00 0.00 C ATOM 886 CD PRO B 8 111.071 78.901 45.227 1.00 0.00 C ATOM 0 HA PRO B 8 108.189 80.378 44.644 1.00 0.00 H new ATOM 0 HB2 PRO B 8 109.039 78.744 42.595 1.00 0.00 H new ATOM 0 HB3 PRO B 8 109.847 80.263 42.932 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.668 77.474 43.671 1.00 0.00 H new ATOM 0 HG3 PRO B 8 111.666 78.822 43.163 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.422 78.038 45.792 1.00 0.00 H new ATOM 0 HD3 PRO B 8 111.834 79.674 45.318 1.00 0.00 H new ATOM 894 N PRO B 9 106.489 78.631 44.528 1.00 0.00 N ATOM 895 CA PRO B 9 105.420 77.608 44.632 1.00 0.00 C ATOM 896 C PRO B 9 105.477 76.650 43.438 1.00 0.00 C ATOM 897 O PRO B 9 106.418 76.658 42.670 1.00 0.00 O ATOM 898 CB PRO B 9 104.133 78.428 44.607 1.00 0.00 C ATOM 899 CG PRO B 9 104.492 79.695 43.897 1.00 0.00 C ATOM 900 CD PRO B 9 105.957 79.948 44.149 1.00 0.00 C ATOM 0 HA PRO B 9 105.508 76.988 45.524 1.00 0.00 H new ATOM 0 HB2 PRO B 9 103.337 77.896 44.086 1.00 0.00 H new ATOM 0 HB3 PRO B 9 103.774 78.630 45.616 1.00 0.00 H new ATOM 0 HG2 PRO B 9 104.295 79.606 42.829 1.00 0.00 H new ATOM 0 HG3 PRO B 9 103.889 80.526 44.264 1.00 0.00 H new ATOM 0 HD2 PRO B 9 106.453 80.337 43.260 1.00 0.00 H new ATOM 0 HD3 PRO B 9 106.104 80.681 44.943 1.00 0.00 H new ATOM 908 N GLY B 10 104.478 75.827 43.278 1.00 0.00 N ATOM 909 CA GLY B 10 104.475 74.871 42.135 1.00 0.00 C ATOM 910 C GLY B 10 104.933 73.493 42.616 1.00 0.00 C ATOM 911 O GLY B 10 104.362 72.480 42.262 1.00 0.00 O ATOM 0 H GLY B 10 103.663 75.775 43.889 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.475 74.804 41.707 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.136 75.230 41.346 1.00 0.00 H new ATOM 915 N LEU B 11 105.961 73.445 43.419 1.00 0.00 N ATOM 916 CA LEU B 11 106.455 72.130 43.920 1.00 0.00 C ATOM 917 C LEU B 11 105.493 71.566 44.970 1.00 0.00 C ATOM 918 O LEU B 11 105.393 70.369 45.153 1.00 0.00 O ATOM 919 CB LEU B 11 107.816 72.431 44.548 1.00 0.00 C ATOM 920 CG LEU B 11 108.692 71.177 44.487 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.108 71.520 44.950 1.00 0.00 C ATOM 922 CD2 LEU B 11 108.104 70.102 45.403 1.00 0.00 C ATOM 0 H LEU B 11 106.480 74.258 43.750 1.00 0.00 H new ATOM 0 HA LEU B 11 106.527 71.388 43.125 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.300 73.252 44.019 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.689 72.750 45.583 1.00 0.00 H new ATOM 0 HG LEU B 11 108.725 70.806 43.463 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.731 70.627 44.906 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.528 72.287 44.300 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.076 71.891 45.975 1.00 0.00 H new ATOM 0 HD21 LEU B 11 108.726 69.208 45.361 1.00 0.00 H new ATOM 0 HD22 LEU B 11 108.072 70.474 46.427 1.00 0.00 H new ATOM 0 HD23 LEU B 11 107.094 69.857 45.074 1.00 0.00 H new ATOM 934 N THR B 12 104.784 72.418 45.658 1.00 0.00 N ATOM 935 CA THR B 12 103.831 71.927 46.695 1.00 0.00 C ATOM 936 C THR B 12 102.705 71.124 46.042 1.00 0.00 C ATOM 937 O THR B 12 102.364 70.043 46.482 1.00 0.00 O ATOM 938 CB THR B 12 103.276 73.191 47.354 1.00 0.00 C ATOM 939 OG1 THR B 12 104.352 73.996 47.813 1.00 0.00 O ATOM 940 CG2 THR B 12 102.385 72.802 48.535 1.00 0.00 C ATOM 0 H THR B 12 104.823 73.431 45.548 1.00 0.00 H new ATOM 0 HA THR B 12 104.312 71.268 47.418 1.00 0.00 H new ATOM 0 HB THR B 12 102.688 73.752 46.628 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.997 74.807 48.234 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.990 73.703 49.005 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.559 72.185 48.180 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.970 72.240 49.263 1.00 0.00 H new ATOM 948 N GLU B 13 102.125 71.643 44.998 1.00 0.00 N ATOM 949 CA GLU B 13 101.020 70.910 44.316 1.00 0.00 C ATOM 950 C GLU B 13 101.502 69.529 43.864 1.00 0.00 C ATOM 951 O GLU B 13 100.756 68.570 43.861 1.00 0.00 O ATOM 952 CB GLU B 13 100.656 71.775 43.108 1.00 0.00 C ATOM 953 CG GLU B 13 99.327 71.295 42.518 1.00 0.00 C ATOM 954 CD GLU B 13 98.573 72.486 41.926 1.00 0.00 C ATOM 955 OE1 GLU B 13 98.458 73.491 42.610 1.00 0.00 O ATOM 956 OE2 GLU B 13 98.121 72.376 40.798 1.00 0.00 O ATOM 0 H GLU B 13 102.367 72.544 44.586 1.00 0.00 H new ATOM 0 HA GLU B 13 100.165 70.748 44.972 1.00 0.00 H new ATOM 0 HB2 GLU B 13 100.577 72.820 43.406 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.442 71.717 42.355 1.00 0.00 H new ATOM 0 HG2 GLU B 13 99.508 70.546 41.747 1.00 0.00 H new ATOM 0 HG3 GLU B 13 98.725 70.817 43.291 1.00 0.00 H new ATOM 963 N LEU B 14 102.746 69.420 43.483 1.00 0.00 N ATOM 964 CA LEU B 14 103.276 68.100 43.034 1.00 0.00 C ATOM 965 C LEU B 14 103.313 67.121 44.210 1.00 0.00 C ATOM 966 O LEU B 14 102.697 66.071 44.180 1.00 0.00 O ATOM 967 CB LEU B 14 104.692 68.391 42.533 1.00 0.00 C ATOM 968 CG LEU B 14 104.954 67.598 41.252 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.942 68.548 40.053 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.320 66.915 41.347 1.00 0.00 C ATOM 0 H LEU B 14 103.418 70.187 43.463 1.00 0.00 H new ATOM 0 HA LEU B 14 102.656 67.646 42.261 1.00 0.00 H new ATOM 0 HB2 LEU B 14 104.810 69.458 42.343 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.422 68.121 43.296 1.00 0.00 H new ATOM 0 HG LEU B 14 104.177 66.844 41.126 1.00 0.00 H new ATOM 0 HD11 LEU B 14 105.129 67.983 39.140 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.970 69.036 39.985 1.00 0.00 H new ATOM 0 HD13 LEU B 14 105.719 69.302 40.179 1.00 0.00 H new ATOM 0 HD21 LEU B 14 106.508 66.349 40.435 1.00 0.00 H new ATOM 0 HD22 LEU B 14 107.096 67.670 41.473 1.00 0.00 H new ATOM 0 HD23 LEU B 14 106.330 66.239 42.202 1.00 0.00 H new ATOM 982 N LEU B 15 104.030 67.455 45.248 1.00 0.00 N ATOM 983 CA LEU B 15 104.102 66.542 46.423 1.00 0.00 C ATOM 984 C LEU B 15 102.692 66.253 46.942 1.00 0.00 C ATOM 985 O LEU B 15 102.363 65.132 47.279 1.00 0.00 O ATOM 986 CB LEU B 15 104.924 67.294 47.473 1.00 0.00 C ATOM 987 CG LEU B 15 106.331 67.572 46.929 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.170 68.250 48.013 1.00 0.00 C ATOM 989 CD2 LEU B 15 106.998 66.255 46.521 1.00 0.00 C ATOM 0 H LEU B 15 104.567 68.318 45.333 1.00 0.00 H new ATOM 0 HA LEU B 15 104.556 65.582 46.175 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.432 68.232 47.730 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.988 66.706 48.388 1.00 0.00 H new ATOM 0 HG LEU B 15 106.258 68.224 46.059 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.170 68.448 47.628 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.700 69.190 48.303 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.239 67.596 48.882 1.00 0.00 H new ATOM 0 HD21 LEU B 15 107.997 66.457 46.135 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.070 65.599 47.389 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.402 65.770 45.748 1.00 0.00 H new ATOM 1001 N GLN B 16 101.847 67.251 46.999 1.00 0.00 N ATOM 1002 CA GLN B 16 100.456 67.023 47.484 1.00 0.00 C ATOM 1003 C GLN B 16 99.828 65.852 46.730 1.00 0.00 C ATOM 1004 O GLN B 16 99.153 65.019 47.303 1.00 0.00 O ATOM 1005 CB GLN B 16 99.714 68.322 47.176 1.00 0.00 C ATOM 1006 CG GLN B 16 99.271 68.970 48.484 1.00 0.00 C ATOM 1007 CD GLN B 16 100.476 69.621 49.167 1.00 0.00 C ATOM 1008 OE1 GLN B 16 101.556 69.067 49.177 1.00 0.00 O ATOM 1009 NE2 GLN B 16 100.334 70.785 49.741 1.00 0.00 N ATOM 0 H GLN B 16 102.061 68.211 46.731 1.00 0.00 H new ATOM 0 HA GLN B 16 100.418 66.777 48.545 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.361 69.001 46.621 1.00 0.00 H new ATOM 0 HB3 GLN B 16 98.848 68.119 46.545 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.502 69.718 48.289 1.00 0.00 H new ATOM 0 HG3 GLN B 16 98.828 68.221 49.141 1.00 0.00 H new ATOM 0 HE21 GLN B 16 99.426 71.250 49.733 1.00 0.00 H new ATOM 0 HE22 GLN B 16 101.131 71.229 50.198 1.00 0.00 H new ATOM 1018 N GLY B 17 100.059 65.773 45.446 1.00 0.00 N ATOM 1019 CA GLY B 17 99.490 64.644 44.659 1.00 0.00 C ATOM 1020 C GLY B 17 99.959 63.332 45.282 1.00 0.00 C ATOM 1021 O GLY B 17 99.168 62.536 45.745 1.00 0.00 O ATOM 0 H GLY B 17 100.615 66.440 44.911 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.401 64.694 44.658 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.813 64.706 43.620 1.00 0.00 H new ATOM 1025 N TYR B 18 101.248 63.106 45.308 1.00 0.00 N ATOM 1026 CA TYR B 18 101.779 61.854 45.911 1.00 0.00 C ATOM 1027 C TYR B 18 101.153 61.614 47.289 1.00 0.00 C ATOM 1028 O TYR B 18 100.685 60.532 47.581 1.00 0.00 O ATOM 1029 CB TYR B 18 103.282 62.094 46.031 1.00 0.00 C ATOM 1030 CG TYR B 18 104.009 60.774 46.014 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.659 59.782 45.071 1.00 0.00 C ATOM 1032 CD2 TYR B 18 105.041 60.533 46.945 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.345 58.546 45.060 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.728 59.301 46.935 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.380 58.304 45.993 1.00 0.00 C ATOM 1036 OH TYR B 18 106.049 57.096 45.984 1.00 0.00 O ATOM 0 H TYR B 18 101.955 63.739 44.935 1.00 0.00 H new ATOM 0 HA TYR B 18 101.550 60.973 45.312 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.627 62.721 45.209 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.502 62.630 46.954 1.00 0.00 H new ATOM 0 HD1 TYR B 18 102.868 59.968 44.359 1.00 0.00 H new ATOM 0 HD2 TYR B 18 105.305 61.292 47.666 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.079 57.787 44.339 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.520 59.119 47.646 1.00 0.00 H new ATOM 0 HH TYR B 18 105.499 56.421 45.535 1.00 0.00 H new ATOM 1046 N THR B 19 101.122 62.616 48.133 1.00 0.00 N ATOM 1047 CA THR B 19 100.500 62.432 49.481 1.00 0.00 C ATOM 1048 C THR B 19 99.108 61.825 49.305 1.00 0.00 C ATOM 1049 O THR B 19 98.797 60.780 49.841 1.00 0.00 O ATOM 1050 CB THR B 19 100.407 63.837 50.078 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.521 64.607 49.647 1.00 0.00 O ATOM 1052 CG2 THR B 19 100.404 63.746 51.604 1.00 0.00 C ATOM 0 H THR B 19 101.497 63.546 47.949 1.00 0.00 H new ATOM 0 HA THR B 19 101.073 61.767 50.127 1.00 0.00 H new ATOM 0 HB THR B 19 99.485 64.314 49.745 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.351 64.953 48.746 1.00 0.00 H new ATOM 0 HG21 THR B 19 100.338 64.748 52.028 1.00 0.00 H new ATOM 0 HG22 THR B 19 99.548 63.156 51.932 1.00 0.00 H new ATOM 0 HG23 THR B 19 101.324 63.269 51.942 1.00 0.00 H new ATOM 1060 N VAL B 20 98.285 62.456 48.514 1.00 0.00 N ATOM 1061 CA VAL B 20 96.931 61.900 48.252 1.00 0.00 C ATOM 1062 C VAL B 20 97.111 60.530 47.592 1.00 0.00 C ATOM 1063 O VAL B 20 96.464 59.561 47.934 1.00 0.00 O ATOM 1064 CB VAL B 20 96.286 62.913 47.287 1.00 0.00 C ATOM 1065 CG1 VAL B 20 95.194 62.241 46.439 1.00 0.00 C ATOM 1066 CG2 VAL B 20 95.670 64.058 48.094 1.00 0.00 C ATOM 0 H VAL B 20 98.493 63.334 48.038 1.00 0.00 H new ATOM 0 HA VAL B 20 96.316 61.762 49.141 1.00 0.00 H new ATOM 0 HB VAL B 20 97.057 63.298 46.619 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.753 62.976 45.765 1.00 0.00 H new ATOM 0 HG12 VAL B 20 95.633 61.431 45.856 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.421 61.839 47.094 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.213 64.777 47.414 1.00 0.00 H new ATOM 0 HG22 VAL B 20 94.910 63.661 48.767 1.00 0.00 H new ATOM 0 HG23 VAL B 20 96.448 64.553 48.676 1.00 0.00 H new ATOM 1076 N GLU B 21 98.001 60.467 46.644 1.00 0.00 N ATOM 1077 CA GLU B 21 98.268 59.192 45.931 1.00 0.00 C ATOM 1078 C GLU B 21 98.535 58.064 46.924 1.00 0.00 C ATOM 1079 O GLU B 21 97.791 57.107 47.015 1.00 0.00 O ATOM 1080 CB GLU B 21 99.527 59.477 45.115 1.00 0.00 C ATOM 1081 CG GLU B 21 99.321 59.000 43.687 1.00 0.00 C ATOM 1082 CD GLU B 21 99.772 60.089 42.712 1.00 0.00 C ATOM 1083 OE1 GLU B 21 99.296 61.205 42.839 1.00 0.00 O ATOM 1084 OE2 GLU B 21 100.587 59.788 41.855 1.00 0.00 O ATOM 0 H GLU B 21 98.563 61.258 46.329 1.00 0.00 H new ATOM 0 HA GLU B 21 97.424 58.877 45.317 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.747 60.545 45.125 1.00 0.00 H new ATOM 0 HB3 GLU B 21 100.384 58.971 45.559 1.00 0.00 H new ATOM 0 HG2 GLU B 21 99.887 58.085 43.513 1.00 0.00 H new ATOM 0 HG3 GLU B 21 98.271 58.761 43.521 1.00 0.00 H new ATOM 1091 N VAL B 22 99.602 58.166 47.661 1.00 0.00 N ATOM 1092 CA VAL B 22 99.939 57.098 48.643 1.00 0.00 C ATOM 1093 C VAL B 22 98.762 56.860 49.594 1.00 0.00 C ATOM 1094 O VAL B 22 98.568 55.770 50.093 1.00 0.00 O ATOM 1095 CB VAL B 22 101.155 57.617 49.413 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.696 56.496 50.295 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.249 58.053 48.431 1.00 0.00 C ATOM 0 H VAL B 22 100.259 58.945 47.627 1.00 0.00 H new ATOM 0 HA VAL B 22 100.150 56.148 48.153 1.00 0.00 H new ATOM 0 HB VAL B 22 100.860 58.470 50.024 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.563 56.855 50.849 1.00 0.00 H new ATOM 0 HG12 VAL B 22 100.924 56.180 50.996 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.988 55.651 49.671 1.00 0.00 H new ATOM 0 HG21 VAL B 22 103.111 58.421 48.987 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.548 57.202 47.819 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.866 58.846 47.788 1.00 0.00 H new ATOM 1107 N LEU B 23 97.975 57.868 49.848 1.00 0.00 N ATOM 1108 CA LEU B 23 96.813 57.691 50.766 1.00 0.00 C ATOM 1109 C LEU B 23 95.721 56.868 50.079 1.00 0.00 C ATOM 1110 O LEU B 23 94.924 56.215 50.722 1.00 0.00 O ATOM 1111 CB LEU B 23 96.317 59.107 51.058 1.00 0.00 C ATOM 1112 CG LEU B 23 96.625 59.464 52.513 1.00 0.00 C ATOM 1113 CD1 LEU B 23 95.922 58.474 53.442 1.00 0.00 C ATOM 1114 CD2 LEU B 23 98.137 59.392 52.743 1.00 0.00 C ATOM 0 H LEU B 23 98.085 58.805 49.461 1.00 0.00 H new ATOM 0 HA LEU B 23 97.084 57.161 51.679 1.00 0.00 H new ATOM 0 HB2 LEU B 23 96.799 59.818 50.388 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.245 59.173 50.875 1.00 0.00 H new ATOM 0 HG LEU B 23 96.270 60.473 52.723 1.00 0.00 H new ATOM 0 HD11 LEU B 23 96.142 58.729 54.479 1.00 0.00 H new ATOM 0 HD12 LEU B 23 94.846 58.522 53.277 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.277 57.465 53.233 1.00 0.00 H new ATOM 0 HD21 LEU B 23 98.360 59.646 53.779 1.00 0.00 H new ATOM 0 HD22 LEU B 23 98.489 58.382 52.533 1.00 0.00 H new ATOM 0 HD23 LEU B 23 98.640 60.097 52.081 1.00 0.00 H new ATOM 1126 N ARG B 24 95.683 56.891 48.775 1.00 0.00 N ATOM 1127 CA ARG B 24 94.646 56.108 48.044 1.00 0.00 C ATOM 1128 C ARG B 24 95.275 54.856 47.427 1.00 0.00 C ATOM 1129 O ARG B 24 94.784 53.757 47.590 1.00 0.00 O ATOM 1130 CB ARG B 24 94.138 57.048 46.950 1.00 0.00 C ATOM 1131 CG ARG B 24 92.805 57.663 47.380 1.00 0.00 C ATOM 1132 CD ARG B 24 93.040 58.632 48.540 1.00 0.00 C ATOM 1133 NE ARG B 24 91.929 58.364 49.495 1.00 0.00 N ATOM 1134 CZ ARG B 24 90.704 58.681 49.178 1.00 0.00 C ATOM 1135 NH1 ARG B 24 90.292 59.912 49.320 1.00 0.00 N ATOM 1136 NH2 ARG B 24 89.891 57.769 48.720 1.00 0.00 N ATOM 0 H ARG B 24 96.325 57.418 48.184 1.00 0.00 H new ATOM 0 HA ARG B 24 93.841 55.773 48.697 1.00 0.00 H new ATOM 0 HB2 ARG B 24 94.869 57.834 46.764 1.00 0.00 H new ATOM 0 HB3 ARG B 24 94.013 56.501 46.016 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.347 58.187 46.541 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.111 56.879 47.682 1.00 0.00 H new ATOM 0 HD2 ARG B 24 94.011 58.462 49.006 1.00 0.00 H new ATOM 0 HD3 ARG B 24 93.027 59.667 48.199 1.00 0.00 H new ATOM 0 HE ARG B 24 92.126 57.932 50.398 1.00 0.00 H new ATOM 0 HH11 ARG B 24 90.928 60.624 49.678 1.00 0.00 H new ATOM 0 HH12 ARG B 24 89.334 60.161 49.072 1.00 0.00 H new ATOM 0 HH21 ARG B 24 90.213 56.808 48.610 1.00 0.00 H new ATOM 0 HH22 ARG B 24 88.933 58.018 48.472 1.00 0.00 H new ATOM 1150 N GLN B 25 96.356 55.018 46.715 1.00 0.00 N ATOM 1151 CA GLN B 25 97.018 53.844 46.083 1.00 0.00 C ATOM 1152 C GLN B 25 97.991 53.185 47.065 1.00 0.00 C ATOM 1153 O GLN B 25 99.136 52.949 46.739 1.00 0.00 O ATOM 1154 CB GLN B 25 97.776 54.423 44.887 1.00 0.00 C ATOM 1155 CG GLN B 25 97.177 53.876 43.592 1.00 0.00 C ATOM 1156 CD GLN B 25 97.143 54.983 42.538 1.00 0.00 C ATOM 1157 OE1 GLN B 25 97.093 56.152 42.868 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.169 54.664 41.273 1.00 0.00 N ATOM 0 H GLN B 25 96.810 55.915 46.544 1.00 0.00 H new ATOM 0 HA GLN B 25 96.303 53.076 45.787 1.00 0.00 H new ATOM 0 HB2 GLN B 25 97.716 55.511 44.897 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.832 54.161 44.951 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.769 53.035 43.232 1.00 0.00 H new ATOM 0 HG3 GLN B 25 96.170 53.502 43.774 1.00 0.00 H new ATOM 0 HE21 GLN B 25 97.211 53.683 40.995 1.00 0.00 H new ATOM 0 HE22 GLN B 25 97.147 55.395 40.562 1.00 0.00 H new ATOM 1167 N GLN B 26 97.537 52.892 48.263 1.00 0.00 N ATOM 1168 CA GLN B 26 98.416 52.247 49.297 1.00 0.00 C ATOM 1169 C GLN B 26 99.333 51.189 48.663 1.00 0.00 C ATOM 1170 O GLN B 26 98.931 50.060 48.460 1.00 0.00 O ATOM 1171 CB GLN B 26 97.447 51.589 50.281 1.00 0.00 C ATOM 1172 CG GLN B 26 97.447 52.371 51.596 1.00 0.00 C ATOM 1173 CD GLN B 26 96.646 51.600 52.648 1.00 0.00 C ATOM 1174 OE1 GLN B 26 97.108 51.402 53.754 1.00 0.00 O ATOM 1175 NE2 GLN B 26 95.457 51.156 52.348 1.00 0.00 N ATOM 0 H GLN B 26 96.582 53.074 48.573 1.00 0.00 H new ATOM 0 HA GLN B 26 99.071 52.973 49.779 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.442 51.567 49.859 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.740 50.555 50.460 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.470 52.523 51.941 1.00 0.00 H new ATOM 0 HG3 GLN B 26 97.012 53.359 51.444 1.00 0.00 H new ATOM 0 HE21 GLN B 26 95.070 51.323 51.419 1.00 0.00 H new ATOM 0 HE22 GLN B 26 94.914 50.642 53.042 1.00 0.00 H new ATOM 1184 N PRO B 27 100.538 51.604 48.358 1.00 0.00 N ATOM 1185 CA PRO B 27 101.519 50.706 47.729 1.00 0.00 C ATOM 1186 C PRO B 27 102.346 49.971 48.793 1.00 0.00 C ATOM 1187 O PRO B 27 102.523 50.469 49.886 1.00 0.00 O ATOM 1188 CB PRO B 27 102.394 51.666 46.929 1.00 0.00 C ATOM 1189 CG PRO B 27 102.270 53.000 47.614 1.00 0.00 C ATOM 1190 CD PRO B 27 101.099 52.937 48.566 1.00 0.00 C ATOM 0 HA PRO B 27 101.063 49.927 47.118 1.00 0.00 H new ATOM 0 HB2 PRO B 27 103.431 51.329 46.913 1.00 0.00 H new ATOM 0 HB3 PRO B 27 102.062 51.726 45.892 1.00 0.00 H new ATOM 0 HG2 PRO B 27 103.187 53.236 48.155 1.00 0.00 H new ATOM 0 HG3 PRO B 27 102.120 53.792 46.880 1.00 0.00 H new ATOM 0 HD2 PRO B 27 101.418 53.078 49.599 1.00 0.00 H new ATOM 0 HD3 PRO B 27 100.367 53.715 48.349 1.00 0.00 H new ATOM 1198 N PRO B 28 102.837 48.810 48.434 1.00 0.00 N ATOM 1199 CA PRO B 28 103.662 48.016 49.374 1.00 0.00 C ATOM 1200 C PRO B 28 105.023 48.687 49.566 1.00 0.00 C ATOM 1201 O PRO B 28 105.652 48.564 50.598 1.00 0.00 O ATOM 1202 CB PRO B 28 103.810 46.666 48.676 1.00 0.00 C ATOM 1203 CG PRO B 28 103.621 46.963 47.225 1.00 0.00 C ATOM 1204 CD PRO B 28 102.676 48.133 47.140 1.00 0.00 C ATOM 0 HA PRO B 28 103.221 47.923 50.366 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.790 46.228 48.866 1.00 0.00 H new ATOM 0 HB3 PRO B 28 103.068 45.953 49.034 1.00 0.00 H new ATOM 0 HG2 PRO B 28 104.574 47.200 46.752 1.00 0.00 H new ATOM 0 HG3 PRO B 28 103.213 46.098 46.703 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.929 48.792 46.310 1.00 0.00 H new ATOM 0 HD3 PRO B 28 101.648 47.806 46.985 1.00 0.00 H new ATOM 1212 N ASP B 29 105.475 49.406 48.575 1.00 0.00 N ATOM 1213 CA ASP B 29 106.790 50.101 48.688 1.00 0.00 C ATOM 1214 C ASP B 29 106.678 51.516 48.119 1.00 0.00 C ATOM 1215 O ASP B 29 106.436 51.705 46.943 1.00 0.00 O ATOM 1216 CB ASP B 29 107.758 49.263 47.852 1.00 0.00 C ATOM 1217 CG ASP B 29 108.268 48.086 48.685 1.00 0.00 C ATOM 1218 OD1 ASP B 29 108.779 48.329 49.766 1.00 0.00 O ATOM 1219 OD2 ASP B 29 108.140 46.963 48.227 1.00 0.00 O ATOM 0 H ASP B 29 104.989 49.543 47.689 1.00 0.00 H new ATOM 0 HA ASP B 29 107.124 50.193 49.721 1.00 0.00 H new ATOM 0 HB2 ASP B 29 107.258 48.897 46.955 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.595 49.878 47.522 1.00 0.00 H new ATOM 1224 N LEU B 30 106.850 52.512 48.941 1.00 0.00 N ATOM 1225 CA LEU B 30 106.749 53.915 48.447 1.00 0.00 C ATOM 1226 C LEU B 30 107.909 54.228 47.498 1.00 0.00 C ATOM 1227 O LEU B 30 107.745 54.910 46.506 1.00 0.00 O ATOM 1228 CB LEU B 30 106.830 54.786 49.701 1.00 0.00 C ATOM 1229 CG LEU B 30 106.090 56.101 49.458 1.00 0.00 C ATOM 1230 CD1 LEU B 30 105.046 56.309 50.556 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.090 57.259 49.482 1.00 0.00 C ATOM 0 H LEU B 30 107.057 52.416 49.935 1.00 0.00 H new ATOM 0 HA LEU B 30 105.829 54.090 47.890 1.00 0.00 H new ATOM 0 HB2 LEU B 30 106.392 54.261 50.550 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.872 54.984 49.952 1.00 0.00 H new ATOM 0 HG LEU B 30 105.595 56.066 48.487 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.518 57.247 50.383 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.334 55.484 50.542 1.00 0.00 H new ATOM 0 HD13 LEU B 30 105.541 56.345 51.527 1.00 0.00 H new ATOM 0 HD21 LEU B 30 106.564 58.198 49.309 1.00 0.00 H new ATOM 0 HD22 LEU B 30 107.584 57.293 50.453 1.00 0.00 H new ATOM 0 HD23 LEU B 30 107.836 57.112 48.701 1.00 0.00 H new ATOM 1243 N VAL B 31 109.081 53.734 47.792 1.00 0.00 N ATOM 1244 CA VAL B 31 110.247 54.004 46.902 1.00 0.00 C ATOM 1245 C VAL B 31 109.908 53.609 45.465 1.00 0.00 C ATOM 1246 O VAL B 31 109.826 54.439 44.582 1.00 0.00 O ATOM 1247 CB VAL B 31 111.375 53.122 47.438 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.664 53.419 46.669 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.591 53.419 48.925 1.00 0.00 C ATOM 0 H VAL B 31 109.282 53.156 48.608 1.00 0.00 H new ATOM 0 HA VAL B 31 110.523 55.059 46.895 1.00 0.00 H new ATOM 0 HB VAL B 31 111.108 52.073 47.310 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.469 52.790 47.051 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.512 53.211 45.610 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.931 54.468 46.798 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.395 52.791 49.308 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.858 54.468 49.051 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.673 53.210 49.475 1.00 0.00 H new ATOM 1259 N ASP B 32 109.704 52.343 45.231 1.00 0.00 N ATOM 1260 CA ASP B 32 109.363 51.883 43.859 1.00 0.00 C ATOM 1261 C ASP B 32 108.106 52.603 43.363 1.00 0.00 C ATOM 1262 O ASP B 32 107.972 52.905 42.194 1.00 0.00 O ATOM 1263 CB ASP B 32 109.109 50.385 44.007 1.00 0.00 C ATOM 1264 CG ASP B 32 109.441 49.677 42.693 1.00 0.00 C ATOM 1265 OD1 ASP B 32 110.357 50.117 42.020 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.771 48.705 42.382 1.00 0.00 O ATOM 0 H ASP B 32 109.759 51.606 45.934 1.00 0.00 H new ATOM 0 HA ASP B 32 110.151 52.093 43.136 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.719 49.980 44.814 1.00 0.00 H new ATOM 0 HB3 ASP B 32 108.068 50.207 44.275 1.00 0.00 H new ATOM 1271 N PHE B 33 107.186 52.885 44.246 1.00 0.00 N ATOM 1272 CA PHE B 33 105.944 53.591 43.822 1.00 0.00 C ATOM 1273 C PHE B 33 106.284 55.016 43.379 1.00 0.00 C ATOM 1274 O PHE B 33 105.805 55.495 42.371 1.00 0.00 O ATOM 1275 CB PHE B 33 105.049 53.608 45.063 1.00 0.00 C ATOM 1276 CG PHE B 33 103.774 54.356 44.754 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.862 53.837 43.807 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.495 55.577 45.407 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.671 54.540 43.515 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.304 56.279 45.115 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.393 55.761 44.169 1.00 0.00 C ATOM 0 H PHE B 33 107.241 52.658 45.239 1.00 0.00 H new ATOM 0 HA PHE B 33 105.453 53.102 42.981 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.819 52.589 45.373 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.570 54.084 45.894 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.075 52.904 43.307 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.192 55.974 46.130 1.00 0.00 H new ATOM 0 HE1 PHE B 33 100.974 54.144 42.792 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.091 57.212 45.616 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.483 56.298 43.945 1.00 0.00 H new ATOM 1291 N ALA B 34 107.115 55.693 44.123 1.00 0.00 N ATOM 1292 CA ALA B 34 107.494 57.085 43.741 1.00 0.00 C ATOM 1293 C ALA B 34 108.223 57.077 42.396 1.00 0.00 C ATOM 1294 O ALA B 34 108.151 58.018 41.632 1.00 0.00 O ATOM 1295 CB ALA B 34 108.431 57.562 44.854 1.00 0.00 C ATOM 0 H ALA B 34 107.548 55.344 44.978 1.00 0.00 H new ATOM 0 HA ALA B 34 106.627 57.736 43.633 1.00 0.00 H new ATOM 0 HB1 ALA B 34 108.755 58.582 44.645 1.00 0.00 H new ATOM 0 HB2 ALA B 34 107.905 57.537 45.808 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.301 56.908 44.902 1.00 0.00 H new ATOM 1301 N VAL B 35 108.925 56.018 42.104 1.00 0.00 N ATOM 1302 CA VAL B 35 109.660 55.938 40.817 1.00 0.00 C ATOM 1303 C VAL B 35 108.688 55.640 39.671 1.00 0.00 C ATOM 1304 O VAL B 35 108.707 56.287 38.644 1.00 0.00 O ATOM 1305 CB VAL B 35 110.638 54.782 41.012 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.380 54.514 39.707 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.645 55.146 42.105 1.00 0.00 C ATOM 0 H VAL B 35 109.020 55.201 42.707 1.00 0.00 H new ATOM 0 HA VAL B 35 110.167 56.868 40.561 1.00 0.00 H new ATOM 0 HB VAL B 35 110.088 53.888 41.306 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.078 53.689 39.848 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.663 54.254 38.928 1.00 0.00 H new ATOM 0 HG13 VAL B 35 111.930 55.407 39.411 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.344 54.321 42.245 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.194 56.041 41.811 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.116 55.336 43.039 1.00 0.00 H new ATOM 1317 N GLU B 36 107.842 54.661 39.838 1.00 0.00 N ATOM 1318 CA GLU B 36 106.874 54.319 38.757 1.00 0.00 C ATOM 1319 C GLU B 36 105.985 55.525 38.432 1.00 0.00 C ATOM 1320 O GLU B 36 105.480 55.656 37.335 1.00 0.00 O ATOM 1321 CB GLU B 36 106.036 53.173 39.326 1.00 0.00 C ATOM 1322 CG GLU B 36 106.891 51.904 39.398 1.00 0.00 C ATOM 1323 CD GLU B 36 106.528 50.979 38.234 1.00 0.00 C ATOM 1324 OE1 GLU B 36 106.209 51.490 37.174 1.00 0.00 O ATOM 1325 OE2 GLU B 36 106.577 49.775 38.424 1.00 0.00 O ATOM 0 H GLU B 36 107.779 54.083 40.676 1.00 0.00 H new ATOM 0 HA GLU B 36 107.375 54.040 37.830 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.669 53.434 40.319 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.162 53.001 38.698 1.00 0.00 H new ATOM 0 HG2 GLU B 36 107.949 52.162 39.355 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.726 51.394 40.347 1.00 0.00 H new ATOM 1332 N TYR B 37 105.788 56.403 39.376 1.00 0.00 N ATOM 1333 CA TYR B 37 104.929 57.596 39.118 1.00 0.00 C ATOM 1334 C TYR B 37 105.698 58.650 38.317 1.00 0.00 C ATOM 1335 O TYR B 37 105.390 58.919 37.172 1.00 0.00 O ATOM 1336 CB TYR B 37 104.570 58.132 40.506 1.00 0.00 C ATOM 1337 CG TYR B 37 103.770 59.408 40.370 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.738 59.500 39.407 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.053 60.511 41.206 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.993 60.693 39.280 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.307 61.704 41.079 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.276 61.796 40.117 1.00 0.00 C ATOM 1343 OH TYR B 37 101.547 62.960 39.994 1.00 0.00 O ATOM 0 H TYR B 37 106.184 56.347 40.315 1.00 0.00 H new ATOM 0 HA TYR B 37 104.044 57.345 38.534 1.00 0.00 H new ATOM 0 HB2 TYR B 37 103.994 57.388 41.056 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.478 58.320 41.079 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.520 58.657 38.768 1.00 0.00 H new ATOM 0 HD2 TYR B 37 104.840 60.442 41.942 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.207 60.762 38.543 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.525 62.547 41.718 1.00 0.00 H new ATOM 0 HH TYR B 37 101.869 63.618 40.645 1.00 0.00 H new ATOM 1353 N PHE B 38 106.690 59.255 38.910 1.00 0.00 N ATOM 1354 CA PHE B 38 107.469 60.297 38.180 1.00 0.00 C ATOM 1355 C PHE B 38 108.059 59.718 36.891 1.00 0.00 C ATOM 1356 O PHE B 38 107.989 60.325 35.841 1.00 0.00 O ATOM 1357 CB PHE B 38 108.580 60.712 39.144 1.00 0.00 C ATOM 1358 CG PHE B 38 107.982 61.498 40.286 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.073 62.547 40.021 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.329 61.184 41.618 1.00 0.00 C ATOM 1361 CE1 PHE B 38 106.511 63.280 41.090 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.769 61.919 42.687 1.00 0.00 C ATOM 1363 CZ PHE B 38 106.859 62.967 42.423 1.00 0.00 C ATOM 0 H PHE B 38 106.995 59.074 39.866 1.00 0.00 H new ATOM 0 HA PHE B 38 106.848 61.144 37.887 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.095 59.830 39.525 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.323 61.315 38.622 1.00 0.00 H new ATOM 0 HD1 PHE B 38 106.808 62.788 39.002 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.023 60.381 41.820 1.00 0.00 H new ATOM 0 HE1 PHE B 38 105.815 64.080 40.888 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.037 61.680 43.706 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.430 63.528 43.240 1.00 0.00 H new ATOM 1373 N THR B 39 108.637 58.549 36.957 1.00 0.00 N ATOM 1374 CA THR B 39 109.224 57.943 35.727 1.00 0.00 C ATOM 1375 C THR B 39 108.178 57.902 34.611 1.00 0.00 C ATOM 1376 O THR B 39 108.458 58.222 33.473 1.00 0.00 O ATOM 1377 CB THR B 39 109.631 56.525 36.132 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.604 56.589 37.163 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.214 55.796 34.920 1.00 0.00 C ATOM 0 H THR B 39 108.728 57.990 37.805 1.00 0.00 H new ATOM 0 HA THR B 39 110.072 58.515 35.351 1.00 0.00 H new ATOM 0 HB THR B 39 108.756 55.984 36.493 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.158 56.719 38.026 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.504 54.786 35.208 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.465 55.747 34.130 1.00 0.00 H new ATOM 0 HG23 THR B 39 111.089 56.335 34.557 1.00 0.00 H new ATOM 1387 N ARG B 40 106.972 57.512 34.928 1.00 0.00 N ATOM 1388 CA ARG B 40 105.911 57.454 33.883 1.00 0.00 C ATOM 1389 C ARG B 40 105.584 58.866 33.386 1.00 0.00 C ATOM 1390 O ARG B 40 105.238 59.066 32.239 1.00 0.00 O ATOM 1391 CB ARG B 40 104.700 56.836 34.581 1.00 0.00 C ATOM 1392 CG ARG B 40 103.714 56.320 33.529 1.00 0.00 C ATOM 1393 CD ARG B 40 102.978 55.095 34.076 1.00 0.00 C ATOM 1394 NE ARG B 40 101.821 55.647 34.832 1.00 0.00 N ATOM 1395 CZ ARG B 40 101.267 54.945 35.782 1.00 0.00 C ATOM 1396 NH1 ARG B 40 101.912 54.733 36.897 1.00 0.00 N ATOM 1397 NH2 ARG B 40 100.070 54.452 35.617 1.00 0.00 N ATOM 0 H ARG B 40 106.677 57.232 35.863 1.00 0.00 H new ATOM 0 HA ARG B 40 106.218 56.874 33.013 1.00 0.00 H new ATOM 0 HB2 ARG B 40 105.018 56.019 35.229 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.216 57.577 35.217 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.999 57.101 33.271 1.00 0.00 H new ATOM 0 HG3 ARG B 40 104.246 56.059 32.614 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.647 54.441 33.270 1.00 0.00 H new ATOM 0 HD3 ARG B 40 103.625 54.502 34.722 1.00 0.00 H new ATOM 0 HE ARG B 40 101.461 56.575 34.607 1.00 0.00 H new ATOM 0 HH11 ARG B 40 102.849 55.116 37.025 1.00 0.00 H new ATOM 0 HH12 ARG B 40 101.479 54.184 37.640 1.00 0.00 H new ATOM 0 HH21 ARG B 40 99.567 54.615 34.745 1.00 0.00 H new ATOM 0 HH22 ARG B 40 99.638 53.903 36.360 1.00 0.00 H new ATOM 1411 N LEU B 41 105.693 59.846 34.241 1.00 0.00 N ATOM 1412 CA LEU B 41 105.390 61.243 33.814 1.00 0.00 C ATOM 1413 C LEU B 41 106.399 61.699 32.759 1.00 0.00 C ATOM 1414 O LEU B 41 106.053 62.359 31.799 1.00 0.00 O ATOM 1415 CB LEU B 41 105.524 62.085 35.085 1.00 0.00 C ATOM 1416 CG LEU B 41 104.132 62.433 35.615 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.606 61.276 36.466 1.00 0.00 C ATOM 1418 CD2 LEU B 41 104.216 63.698 36.471 1.00 0.00 C ATOM 0 H LEU B 41 105.978 59.741 35.215 1.00 0.00 H new ATOM 0 HA LEU B 41 104.399 61.335 33.369 1.00 0.00 H new ATOM 0 HB2 LEU B 41 106.086 61.536 35.841 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.083 62.997 34.873 1.00 0.00 H new ATOM 0 HG LEU B 41 103.456 62.604 34.777 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.614 61.524 36.844 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.547 60.374 35.857 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.281 61.105 37.304 1.00 0.00 H new ATOM 0 HD21 LEU B 41 103.225 63.948 36.850 1.00 0.00 H new ATOM 0 HD22 LEU B 41 104.892 63.526 37.309 1.00 0.00 H new ATOM 0 HD23 LEU B 41 104.591 64.523 35.865 1.00 0.00 H new ATOM 1430 N ARG B 42 107.645 61.349 32.927 1.00 0.00 N ATOM 1431 CA ARG B 42 108.677 61.759 31.933 1.00 0.00 C ATOM 1432 C ARG B 42 108.349 61.170 30.559 1.00 0.00 C ATOM 1433 O ARG B 42 108.515 61.815 29.542 1.00 0.00 O ATOM 1434 CB ARG B 42 109.989 61.180 32.464 1.00 0.00 C ATOM 1435 CG ARG B 42 110.805 62.289 33.130 1.00 0.00 C ATOM 1436 CD ARG B 42 112.001 62.644 32.246 1.00 0.00 C ATOM 1437 NE ARG B 42 112.087 64.130 32.293 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.773 64.773 31.389 1.00 0.00 C ATOM 1439 NH1 ARG B 42 112.215 65.095 30.253 1.00 0.00 N ATOM 1440 NH2 ARG B 42 114.017 65.093 31.618 1.00 0.00 N ATOM 0 H ARG B 42 107.993 60.796 33.710 1.00 0.00 H new ATOM 0 HA ARG B 42 108.728 62.841 31.812 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.784 60.385 33.181 1.00 0.00 H new ATOM 0 HB3 ARG B 42 110.559 60.735 31.648 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.182 63.169 33.287 1.00 0.00 H new ATOM 0 HG3 ARG B 42 111.149 61.963 34.111 1.00 0.00 H new ATOM 0 HD2 ARG B 42 112.917 62.184 32.617 1.00 0.00 H new ATOM 0 HD3 ARG B 42 111.857 62.289 31.226 1.00 0.00 H new ATOM 0 HE ARG B 42 111.609 64.645 33.032 1.00 0.00 H new ATOM 0 HH11 ARG B 42 111.243 64.844 30.073 1.00 0.00 H new ATOM 0 HH12 ARG B 42 112.751 65.598 29.546 1.00 0.00 H new ATOM 0 HH21 ARG B 42 114.454 64.840 32.504 1.00 0.00 H new ATOM 0 HH22 ARG B 42 114.553 65.596 30.911 1.00 0.00 H new ATOM 1454 N GLU B 43 107.886 59.951 30.520 1.00 0.00 N ATOM 1455 CA GLU B 43 107.549 59.323 29.210 1.00 0.00 C ATOM 1456 C GLU B 43 106.217 59.869 28.687 1.00 0.00 C ATOM 1457 O GLU B 43 105.935 59.819 27.506 1.00 0.00 O ATOM 1458 CB GLU B 43 107.437 57.828 29.506 1.00 0.00 C ATOM 1459 CG GLU B 43 108.818 57.274 29.862 1.00 0.00 C ATOM 1460 CD GLU B 43 108.668 55.877 30.466 1.00 0.00 C ATOM 1461 OE1 GLU B 43 108.445 54.947 29.710 1.00 0.00 O ATOM 1462 OE2 GLU B 43 108.778 55.761 31.676 1.00 0.00 O ATOM 0 H GLU B 43 107.726 59.362 31.338 1.00 0.00 H new ATOM 0 HA GLU B 43 108.298 59.533 28.447 1.00 0.00 H new ATOM 0 HB2 GLU B 43 106.743 57.660 30.329 1.00 0.00 H new ATOM 0 HB3 GLU B 43 107.035 57.304 28.639 1.00 0.00 H new ATOM 0 HG2 GLU B 43 109.445 57.231 28.971 1.00 0.00 H new ATOM 0 HG3 GLU B 43 109.316 57.936 30.570 1.00 0.00 H new ATOM 1469 N ALA B 44 105.397 60.391 29.557 1.00 0.00 N ATOM 1470 CA ALA B 44 104.083 60.940 29.108 1.00 0.00 C ATOM 1471 C ALA B 44 104.295 62.105 28.146 1.00 0.00 C ATOM 1472 O ALA B 44 103.943 62.042 26.985 1.00 0.00 O ATOM 1473 CB ALA B 44 103.403 61.445 30.378 1.00 0.00 C ATOM 0 H ALA B 44 105.578 60.462 30.558 1.00 0.00 H new ATOM 0 HA ALA B 44 103.489 60.188 28.588 1.00 0.00 H new ATOM 0 HB1 ALA B 44 102.429 61.864 30.127 1.00 0.00 H new ATOM 0 HB2 ALA B 44 103.273 60.617 31.075 1.00 0.00 H new ATOM 0 HB3 ALA B 44 104.021 62.215 30.840 1.00 0.00 H new ATOM 1479 N ARG B 45 104.857 63.178 28.631 1.00 0.00 N ATOM 1480 CA ARG B 45 105.081 64.365 27.761 1.00 0.00 C ATOM 1481 C ARG B 45 105.752 63.953 26.447 1.00 0.00 C ATOM 1482 O ARG B 45 106.754 63.264 26.439 1.00 0.00 O ATOM 1483 CB ARG B 45 106.000 65.280 28.571 1.00 0.00 C ATOM 1484 CG ARG B 45 106.263 66.566 27.785 1.00 0.00 C ATOM 1485 CD ARG B 45 105.337 67.675 28.291 1.00 0.00 C ATOM 1486 NE ARG B 45 106.075 68.307 29.419 1.00 0.00 N ATOM 1487 CZ ARG B 45 106.126 69.608 29.518 1.00 0.00 C ATOM 1488 NH1 ARG B 45 105.047 70.283 29.805 1.00 0.00 N ATOM 1489 NH2 ARG B 45 107.257 70.232 29.330 1.00 0.00 N ATOM 0 H ARG B 45 105.171 63.283 29.596 1.00 0.00 H new ATOM 0 HA ARG B 45 104.147 64.857 27.491 1.00 0.00 H new ATOM 0 HB2 ARG B 45 105.541 65.516 29.531 1.00 0.00 H new ATOM 0 HB3 ARG B 45 106.941 64.772 28.783 1.00 0.00 H new ATOM 0 HG2 ARG B 45 107.304 66.867 27.899 1.00 0.00 H new ATOM 0 HG3 ARG B 45 106.095 66.395 26.722 1.00 0.00 H new ATOM 0 HD2 ARG B 45 105.122 68.399 27.505 1.00 0.00 H new ATOM 0 HD3 ARG B 45 104.381 67.270 28.622 1.00 0.00 H new ATOM 0 HE ARG B 45 106.541 67.724 30.114 1.00 0.00 H new ATOM 0 HH11 ARG B 45 104.164 69.794 29.952 1.00 0.00 H new ATOM 0 HH12 ARG B 45 105.087 71.299 29.882 1.00 0.00 H new ATOM 0 HH21 ARG B 45 108.100 69.703 29.106 1.00 0.00 H new ATOM 0 HH22 ARG B 45 107.298 71.248 29.407 1.00 0.00 H new ATOM 1503 N ARG B 46 105.208 64.367 25.335 1.00 0.00 N ATOM 1504 CA ARG B 46 105.815 63.998 24.023 1.00 0.00 C ATOM 1505 C ARG B 46 105.994 62.480 23.933 1.00 0.00 C ATOM 1506 O ARG B 46 105.155 61.771 24.462 1.00 0.00 O ATOM 1507 CB ARG B 46 107.172 64.702 24.001 1.00 0.00 C ATOM 1508 CG ARG B 46 107.427 65.273 22.605 1.00 0.00 C ATOM 1509 CD ARG B 46 106.628 66.566 22.428 1.00 0.00 C ATOM 1510 NE ARG B 46 107.413 67.370 21.449 1.00 0.00 N ATOM 1511 CZ ARG B 46 106.799 68.171 20.620 1.00 0.00 C ATOM 1512 NH1 ARG B 46 106.120 67.681 19.621 1.00 0.00 N ATOM 1513 NH2 ARG B 46 106.867 69.463 20.792 1.00 0.00 N ATOM 1514 OXT ARG B 46 106.969 62.054 23.336 1.00 0.00 O ATOM 0 H ARG B 46 104.369 64.945 25.278 1.00 0.00 H new ATOM 0 HA ARG B 46 105.190 64.294 23.180 1.00 0.00 H new ATOM 0 HB2 ARG B 46 107.191 65.501 24.742 1.00 0.00 H new ATOM 0 HB3 ARG B 46 107.962 64.000 24.269 1.00 0.00 H new ATOM 0 HG2 ARG B 46 108.491 65.469 22.469 1.00 0.00 H new ATOM 0 HG3 ARG B 46 107.137 64.547 21.845 1.00 0.00 H new ATOM 0 HD2 ARG B 46 105.624 66.362 22.057 1.00 0.00 H new ATOM 0 HD3 ARG B 46 106.517 67.095 23.375 1.00 0.00 H new ATOM 0 HE ARG B 46 108.430 67.295 21.426 1.00 0.00 H new ATOM 0 HH11 ARG B 46 106.068 66.671 19.486 1.00 0.00 H new ATOM 0 HH12 ARG B 46 105.641 68.307 18.974 1.00 0.00 H new ATOM 0 HH21 ARG B 46 107.399 69.846 21.573 1.00 0.00 H new ATOM 0 HH22 ARG B 46 106.388 70.090 20.145 1.00 0.00 H new TER 1528 ARG B 46