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= -0.129 X(o=-0.13,f=-0.0082) 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= -0.425 X(o=-0.43,f=-0.66) USER MOD Single : A 6 GLN : amide:sc= -0.0696 K(o=-0.07,f=-0.95) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 TYR OH : rot -40:sc= -4.9! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.5!) USER MOD Single : A 26 GLN : amide:sc= -0.0109 K(o=-0.011,f=-1.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 81:sc= -0.895! USER MOD Single : B 1 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.00068) 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= -0.532 X(o=-0.53,f=-0.82) USER MOD Single : B 6 GLN : amide:sc= -0.046 K(o=-0.046,f=-1) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 18 TYR OH : rot -37:sc= -4.83! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : B 26 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 74:sc= -1.13! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 83.018 65.125 61.197 1.00 0.00 N ATOM 2 CA HIS A 1 84.465 65.342 61.488 1.00 0.00 C ATOM 3 C HIS A 1 85.114 64.035 61.949 1.00 0.00 C ATOM 4 O HIS A 1 86.022 63.527 61.321 1.00 0.00 O ATOM 5 CB HIS A 1 84.491 66.380 62.610 1.00 0.00 C ATOM 6 CG HIS A 1 84.422 67.760 62.018 1.00 0.00 C ATOM 7 ND1 HIS A 1 83.585 68.740 62.525 1.00 0.00 N ATOM 8 CD2 HIS A 1 85.080 68.338 60.959 1.00 0.00 C ATOM 9 CE1 HIS A 1 83.759 69.848 61.780 1.00 0.00 C ATOM 10 NE2 HIS A 1 84.659 69.656 60.811 1.00 0.00 N ATOM 0 H1 HIS A 1 82.589 66.019 60.885 1.00 0.00 H new ATOM 0 H2 HIS A 1 82.918 64.412 60.446 1.00 0.00 H new ATOM 0 H3 HIS A 1 82.537 64.792 62.057 1.00 0.00 H new ATOM 0 HA HIS A 1 85.018 65.677 60.610 1.00 0.00 H new ATOM 0 HB2 HIS A 1 83.652 66.221 63.287 1.00 0.00 H new ATOM 0 HB3 HIS A 1 85.401 66.271 63.200 1.00 0.00 H new ATOM 0 HD2 HIS A 1 85.812 67.845 60.337 1.00 0.00 H new ATOM 0 HE1 HIS A 1 83.235 70.778 61.945 1.00 0.00 H new ATOM 0 HE2 HIS A 1 84.971 70.331 60.113 1.00 0.00 H new ATOM 20 N MET A 2 84.655 63.487 63.040 1.00 0.00 N ATOM 21 CA MET A 2 85.244 62.211 63.541 1.00 0.00 C ATOM 22 C MET A 2 86.763 62.346 63.678 1.00 0.00 C ATOM 23 O MET A 2 87.336 63.371 63.365 1.00 0.00 O ATOM 24 CB MET A 2 84.892 61.169 62.479 1.00 0.00 C ATOM 25 CG MET A 2 83.605 60.446 62.880 1.00 0.00 C ATOM 26 SD MET A 2 82.902 59.622 61.429 1.00 0.00 S ATOM 27 CE MET A 2 81.356 60.561 61.358 1.00 0.00 C ATOM 0 H MET A 2 83.897 63.867 63.607 1.00 0.00 H new ATOM 0 HA MET A 2 84.861 61.937 64.524 1.00 0.00 H new ATOM 0 HB2 MET A 2 84.764 61.651 61.510 1.00 0.00 H new ATOM 0 HB3 MET A 2 85.706 60.452 62.373 1.00 0.00 H new ATOM 0 HG2 MET A 2 83.814 59.715 63.662 1.00 0.00 H new ATOM 0 HG3 MET A 2 82.888 61.157 63.291 1.00 0.00 H new ATOM 0 HE1 MET A 2 80.755 60.210 60.519 1.00 0.00 H new ATOM 0 HE2 MET A 2 80.801 60.419 62.286 1.00 0.00 H new ATOM 0 HE3 MET A 2 81.579 61.620 61.227 1.00 0.00 H new ATOM 37 N GLY A 3 87.419 61.319 64.146 1.00 0.00 N ATOM 38 CA GLY A 3 88.899 61.388 64.306 1.00 0.00 C ATOM 39 C GLY A 3 89.575 61.083 62.968 1.00 0.00 C ATOM 40 O GLY A 3 89.524 59.974 62.474 1.00 0.00 O ATOM 0 H GLY A 3 86.993 60.435 64.425 1.00 0.00 H new ATOM 0 HA2 GLY A 3 89.191 62.378 64.655 1.00 0.00 H new ATOM 0 HA3 GLY A 3 89.227 60.674 65.062 1.00 0.00 H new ATOM 44 N HIS A 4 90.210 62.058 62.377 1.00 0.00 N ATOM 45 CA HIS A 4 90.891 61.822 61.071 1.00 0.00 C ATOM 46 C HIS A 4 92.402 62.019 61.221 1.00 0.00 C ATOM 47 O HIS A 4 93.030 62.700 60.435 1.00 0.00 O ATOM 48 CB HIS A 4 90.306 62.870 60.125 1.00 0.00 C ATOM 49 CG HIS A 4 90.821 62.633 58.733 1.00 0.00 C ATOM 50 ND1 HIS A 4 91.597 63.566 58.062 1.00 0.00 N ATOM 51 CD2 HIS A 4 90.680 61.574 57.870 1.00 0.00 C ATOM 52 CE1 HIS A 4 91.890 63.055 56.852 1.00 0.00 C ATOM 53 NE2 HIS A 4 91.356 61.844 56.684 1.00 0.00 N ATOM 0 H HIS A 4 90.287 63.008 62.741 1.00 0.00 H new ATOM 0 HA HIS A 4 90.737 60.808 60.702 1.00 0.00 H new ATOM 0 HB2 HIS A 4 89.217 62.817 60.135 1.00 0.00 H new ATOM 0 HB3 HIS A 4 90.580 63.871 60.460 1.00 0.00 H new ATOM 0 HD2 HIS A 4 90.128 60.669 58.080 1.00 0.00 H new ATOM 0 HE1 HIS A 4 92.485 63.563 56.108 1.00 0.00 H new ATOM 0 HE2 HIS A 4 91.428 61.244 55.862 1.00 0.00 H new ATOM 61 N ILE A 5 92.989 61.430 62.226 1.00 0.00 N ATOM 62 CA ILE A 5 94.458 61.586 62.429 1.00 0.00 C ATOM 63 C ILE A 5 95.163 60.235 62.280 1.00 0.00 C ATOM 64 O ILE A 5 95.561 59.622 63.250 1.00 0.00 O ATOM 65 CB ILE A 5 94.603 62.113 63.855 1.00 0.00 C ATOM 66 CG1 ILE A 5 96.088 62.286 64.185 1.00 0.00 C ATOM 67 CG2 ILE A 5 93.971 61.119 64.833 1.00 0.00 C ATOM 68 CD1 ILE A 5 96.405 63.773 64.351 1.00 0.00 C ATOM 0 H ILE A 5 92.515 60.847 62.916 1.00 0.00 H new ATOM 0 HA ILE A 5 94.907 62.257 61.697 1.00 0.00 H new ATOM 0 HB ILE A 5 94.098 63.075 63.942 1.00 0.00 H new ATOM 0 HG12 ILE A 5 96.333 61.747 65.100 1.00 0.00 H new ATOM 0 HG13 ILE A 5 96.700 61.860 63.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 94.074 61.495 65.851 1.00 0.00 H new ATOM 0 HG22 ILE A 5 92.914 60.998 64.596 1.00 0.00 H new ATOM 0 HG23 ILE A 5 94.474 60.156 64.749 1.00 0.00 H new ATOM 0 HD11 ILE A 5 97.462 63.896 64.586 1.00 0.00 H new ATOM 0 HD12 ILE A 5 96.176 64.300 63.425 1.00 0.00 H new ATOM 0 HD13 ILE A 5 95.803 64.185 65.161 1.00 0.00 H new ATOM 80 N GLN A 6 95.325 59.770 61.071 1.00 0.00 N ATOM 81 CA GLN A 6 96.009 58.460 60.861 1.00 0.00 C ATOM 82 C GLN A 6 97.066 58.594 59.761 1.00 0.00 C ATOM 83 O GLN A 6 96.897 58.108 58.661 1.00 0.00 O ATOM 84 CB GLN A 6 94.902 57.498 60.427 1.00 0.00 C ATOM 85 CG GLN A 6 94.556 56.562 61.586 1.00 0.00 C ATOM 86 CD GLN A 6 93.769 55.361 61.055 1.00 0.00 C ATOM 87 OE1 GLN A 6 94.081 54.832 60.006 1.00 0.00 O ATOM 88 NE2 GLN A 6 92.757 54.905 61.741 1.00 0.00 N ATOM 0 H GLN A 6 95.014 60.239 60.220 1.00 0.00 H new ATOM 0 HA GLN A 6 96.521 58.110 61.757 1.00 0.00 H new ATOM 0 HB2 GLN A 6 94.018 58.058 60.122 1.00 0.00 H new ATOM 0 HB3 GLN A 6 95.227 56.919 59.563 1.00 0.00 H new ATOM 0 HG2 GLN A 6 95.468 56.224 62.079 1.00 0.00 H new ATOM 0 HG3 GLN A 6 93.968 57.094 62.334 1.00 0.00 H new ATOM 0 HE21 GLN A 6 92.496 55.349 62.621 1.00 0.00 H new ATOM 0 HE22 GLN A 6 92.227 54.104 61.397 1.00 0.00 H new ATOM 97 N ILE A 7 98.155 59.254 60.050 1.00 0.00 N ATOM 98 CA ILE A 7 99.220 59.425 59.021 1.00 0.00 C ATOM 99 C ILE A 7 100.383 58.458 59.291 1.00 0.00 C ATOM 100 O ILE A 7 100.852 58.361 60.409 1.00 0.00 O ATOM 101 CB ILE A 7 99.683 60.874 59.177 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.507 61.816 58.905 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.806 61.163 58.180 1.00 0.00 C ATOM 104 CD1 ILE A 7 97.992 61.593 57.483 1.00 0.00 C ATOM 0 H ILE A 7 98.353 59.682 60.954 1.00 0.00 H new ATOM 0 HA ILE A 7 98.861 59.213 58.014 1.00 0.00 H new ATOM 0 HB ILE A 7 100.049 61.030 60.192 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.709 61.635 59.625 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.821 62.852 59.031 1.00 0.00 H new ATOM 0 HG21 ILE A 7 101.135 62.196 58.292 1.00 0.00 H new ATOM 0 HG22 ILE A 7 101.644 60.492 58.371 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.441 61.007 57.165 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.155 62.264 57.290 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.791 61.796 56.770 1.00 0.00 H new ATOM 0 HD13 ILE A 7 97.662 60.560 57.373 1.00 0.00 H new ATOM 116 N PRO A 8 100.821 57.774 58.260 1.00 0.00 N ATOM 117 CA PRO A 8 101.943 56.816 58.412 1.00 0.00 C ATOM 118 C PRO A 8 103.273 57.574 58.550 1.00 0.00 C ATOM 119 O PRO A 8 103.639 58.331 57.674 1.00 0.00 O ATOM 120 CB PRO A 8 101.912 56.012 57.118 1.00 0.00 C ATOM 121 CG PRO A 8 101.252 56.907 56.121 1.00 0.00 C ATOM 122 CD PRO A 8 100.322 57.817 56.878 1.00 0.00 C ATOM 0 HA PRO A 8 101.852 56.188 59.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.918 55.740 56.799 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.355 55.083 57.244 1.00 0.00 H new ATOM 0 HG2 PRO A 8 101.996 57.487 55.575 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.701 56.321 55.385 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.344 58.831 56.478 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.290 57.472 56.816 1.00 0.00 H new ATOM 130 N PRO A 9 103.958 57.353 59.647 1.00 0.00 N ATOM 131 CA PRO A 9 105.254 58.039 59.876 1.00 0.00 C ATOM 132 C PRO A 9 106.348 57.433 58.992 1.00 0.00 C ATOM 133 O PRO A 9 106.214 56.337 58.484 1.00 0.00 O ATOM 134 CB PRO A 9 105.545 57.777 61.351 1.00 0.00 C ATOM 135 CG PRO A 9 104.797 56.524 61.680 1.00 0.00 C ATOM 136 CD PRO A 9 103.604 56.461 60.761 1.00 0.00 C ATOM 0 HA PRO A 9 105.221 59.101 59.634 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.614 57.655 61.526 1.00 0.00 H new ATOM 0 HB3 PRO A 9 105.213 58.609 61.972 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.433 55.650 61.544 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.479 56.528 62.723 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.422 55.444 60.414 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.696 56.793 61.264 1.00 0.00 H new ATOM 144 N GLY A 10 107.433 58.136 58.807 1.00 0.00 N ATOM 145 CA GLY A 10 108.535 57.599 57.961 1.00 0.00 C ATOM 146 C GLY A 10 108.434 58.182 56.549 1.00 0.00 C ATOM 147 O GLY A 10 109.429 58.413 55.892 1.00 0.00 O ATOM 0 H GLY A 10 107.603 59.059 59.206 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.500 57.852 58.401 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.478 56.511 57.920 1.00 0.00 H new ATOM 151 N LEU A 11 107.241 58.417 56.077 1.00 0.00 N ATOM 152 CA LEU A 11 107.081 58.980 54.705 1.00 0.00 C ATOM 153 C LEU A 11 107.359 60.486 54.711 1.00 0.00 C ATOM 154 O LEU A 11 107.852 61.039 53.748 1.00 0.00 O ATOM 155 CB LEU A 11 105.624 58.705 54.330 1.00 0.00 C ATOM 156 CG LEU A 11 105.550 58.249 52.871 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.429 57.221 52.714 1.00 0.00 C ATOM 158 CD2 LEU A 11 105.262 59.455 51.975 1.00 0.00 C ATOM 0 H LEU A 11 106.371 58.244 56.580 1.00 0.00 H new ATOM 0 HA LEU A 11 107.776 58.534 53.994 1.00 0.00 H new ATOM 0 HB2 LEU A 11 105.208 57.938 54.983 1.00 0.00 H new ATOM 0 HB3 LEU A 11 105.025 59.604 54.472 1.00 0.00 H new ATOM 0 HG LEU A 11 106.500 57.799 52.583 1.00 0.00 H new ATOM 0 HD11 LEU A 11 104.376 56.896 51.675 1.00 0.00 H new ATOM 0 HD12 LEU A 11 104.631 56.362 53.353 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.479 57.672 53.002 1.00 0.00 H new ATOM 0 HD21 LEU A 11 105.209 59.132 50.935 1.00 0.00 H new ATOM 0 HD22 LEU A 11 104.312 59.904 52.264 1.00 0.00 H new ATOM 0 HD23 LEU A 11 106.060 60.190 52.086 1.00 0.00 H new ATOM 170 N THR A 12 107.046 61.155 55.788 1.00 0.00 N ATOM 171 CA THR A 12 107.292 62.625 55.850 1.00 0.00 C ATOM 172 C THR A 12 108.780 62.922 55.653 1.00 0.00 C ATOM 173 O THR A 12 109.164 63.670 54.775 1.00 0.00 O ATOM 174 CB THR A 12 106.844 63.045 57.250 1.00 0.00 C ATOM 175 OG1 THR A 12 105.538 62.544 57.500 1.00 0.00 O ATOM 176 CG2 THR A 12 106.834 64.573 57.347 1.00 0.00 C ATOM 0 H THR A 12 106.631 60.748 56.626 1.00 0.00 H new ATOM 0 HA THR A 12 106.754 63.165 55.071 1.00 0.00 H new ATOM 0 HB THR A 12 107.535 62.640 57.989 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.251 62.812 58.398 1.00 0.00 H new ATOM 0 HG21 THR A 12 106.515 64.872 58.345 1.00 0.00 H new ATOM 0 HG22 THR A 12 107.837 64.956 57.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 106.144 64.980 56.608 1.00 0.00 H new ATOM 184 N GLU A 13 109.618 62.343 56.465 1.00 0.00 N ATOM 185 CA GLU A 13 111.084 62.591 56.332 1.00 0.00 C ATOM 186 C GLU A 13 111.538 62.345 54.890 1.00 0.00 C ATOM 187 O GLU A 13 112.472 62.956 54.410 1.00 0.00 O ATOM 188 CB GLU A 13 111.741 61.589 57.282 1.00 0.00 C ATOM 189 CG GLU A 13 111.503 62.026 58.729 1.00 0.00 C ATOM 190 CD GLU A 13 112.645 62.936 59.183 1.00 0.00 C ATOM 191 OE1 GLU A 13 113.761 62.451 59.273 1.00 0.00 O ATOM 192 OE2 GLU A 13 112.385 64.101 59.433 1.00 0.00 O ATOM 0 H GLU A 13 109.353 61.707 57.217 1.00 0.00 H new ATOM 0 HA GLU A 13 111.352 63.619 56.574 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.329 60.593 57.119 1.00 0.00 H new ATOM 0 HB3 GLU A 13 112.810 61.528 57.081 1.00 0.00 H new ATOM 0 HG2 GLU A 13 110.552 62.552 58.809 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.440 61.152 59.378 1.00 0.00 H new ATOM 199 N LEU A 14 110.884 61.455 54.194 1.00 0.00 N ATOM 200 CA LEU A 14 111.281 61.175 52.783 1.00 0.00 C ATOM 201 C LEU A 14 110.936 62.369 51.891 1.00 0.00 C ATOM 202 O LEU A 14 111.788 62.930 51.229 1.00 0.00 O ATOM 203 CB LEU A 14 110.464 59.947 52.378 1.00 0.00 C ATOM 204 CG LEU A 14 111.016 59.375 51.070 1.00 0.00 C ATOM 205 CD1 LEU A 14 112.365 58.702 51.336 1.00 0.00 C ATOM 206 CD2 LEU A 14 110.034 58.343 50.510 1.00 0.00 C ATOM 0 H LEU A 14 110.094 60.911 54.540 1.00 0.00 H new ATOM 0 HA LEU A 14 112.352 61.002 52.681 1.00 0.00 H new ATOM 0 HB2 LEU A 14 110.507 59.193 53.164 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.416 60.219 52.255 1.00 0.00 H new ATOM 0 HG LEU A 14 111.148 60.181 50.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 112.758 58.295 50.405 1.00 0.00 H new ATOM 0 HD12 LEU A 14 113.065 59.436 51.735 1.00 0.00 H new ATOM 0 HD13 LEU A 14 112.233 57.896 52.058 1.00 0.00 H new ATOM 0 HD21 LEU A 14 110.427 57.935 49.578 1.00 0.00 H new ATOM 0 HD22 LEU A 14 109.902 57.537 51.232 1.00 0.00 H new ATOM 0 HD23 LEU A 14 109.073 58.821 50.320 1.00 0.00 H new ATOM 218 N LEU A 15 109.692 62.767 51.869 1.00 0.00 N ATOM 219 CA LEU A 15 109.294 63.926 51.020 1.00 0.00 C ATOM 220 C LEU A 15 110.010 65.195 51.489 1.00 0.00 C ATOM 221 O LEU A 15 110.546 65.944 50.698 1.00 0.00 O ATOM 222 CB LEU A 15 107.783 64.058 51.213 1.00 0.00 C ATOM 223 CG LEU A 15 107.065 63.610 49.938 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.191 62.094 49.785 1.00 0.00 C ATOM 225 CD2 LEU A 15 105.585 63.991 50.028 1.00 0.00 C ATOM 0 H LEU A 15 108.935 62.339 52.402 1.00 0.00 H new ATOM 0 HA LEU A 15 109.559 63.782 49.973 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.459 63.451 52.058 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.524 65.091 51.445 1.00 0.00 H new ATOM 0 HG LEU A 15 107.517 64.100 49.076 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.679 61.776 48.877 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.244 61.821 49.722 1.00 0.00 H new ATOM 0 HD13 LEU A 15 106.739 61.603 50.647 1.00 0.00 H new ATOM 0 HD21 LEU A 15 105.072 63.673 49.121 1.00 0.00 H new ATOM 0 HD22 LEU A 15 105.135 63.500 50.891 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.493 65.072 50.137 1.00 0.00 H new ATOM 237 N GLN A 16 110.028 65.439 52.774 1.00 0.00 N ATOM 238 CA GLN A 16 110.718 66.659 53.290 1.00 0.00 C ATOM 239 C GLN A 16 112.151 66.712 52.755 1.00 0.00 C ATOM 240 O GLN A 16 112.687 67.768 52.491 1.00 0.00 O ATOM 241 CB GLN A 16 110.718 66.499 54.812 1.00 0.00 C ATOM 242 CG GLN A 16 110.099 67.740 55.456 1.00 0.00 C ATOM 243 CD GLN A 16 110.108 67.586 56.978 1.00 0.00 C ATOM 244 OE1 GLN A 16 109.848 66.517 57.494 1.00 0.00 O ATOM 245 NE2 GLN A 16 110.400 68.616 57.725 1.00 0.00 N ATOM 0 H GLN A 16 109.597 64.849 53.486 1.00 0.00 H new ATOM 0 HA GLN A 16 110.225 67.580 52.979 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.154 65.610 55.095 1.00 0.00 H new ATOM 0 HB3 GLN A 16 111.737 66.359 55.173 1.00 0.00 H new ATOM 0 HG2 GLN A 16 110.658 68.630 55.167 1.00 0.00 H new ATOM 0 HG3 GLN A 16 109.078 67.876 55.100 1.00 0.00 H new ATOM 0 HE21 GLN A 16 110.618 69.514 57.293 1.00 0.00 H new ATOM 0 HE22 GLN A 16 110.410 68.523 58.741 1.00 0.00 H new ATOM 254 N GLY A 17 112.771 65.575 52.584 1.00 0.00 N ATOM 255 CA GLY A 17 114.163 65.561 52.054 1.00 0.00 C ATOM 256 C GLY A 17 114.171 66.184 50.659 1.00 0.00 C ATOM 257 O GLY A 17 114.860 67.151 50.407 1.00 0.00 O ATOM 0 H GLY A 17 112.374 64.658 52.788 1.00 0.00 H new ATOM 0 HA2 GLY A 17 114.824 66.117 52.718 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.539 64.539 52.012 1.00 0.00 H new ATOM 261 N TYR A 18 113.398 65.635 49.754 1.00 0.00 N ATOM 262 CA TYR A 18 113.337 66.185 48.366 1.00 0.00 C ATOM 263 C TYR A 18 113.224 67.712 48.393 1.00 0.00 C ATOM 264 O TYR A 18 113.773 68.403 47.556 1.00 0.00 O ATOM 265 CB TYR A 18 112.071 65.574 47.771 1.00 0.00 C ATOM 266 CG TYR A 18 112.252 65.402 46.288 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.387 64.727 45.795 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.290 65.920 45.394 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.563 64.566 44.402 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.464 65.761 44.002 1.00 0.00 C ATOM 271 CZ TYR A 18 112.601 65.084 43.505 1.00 0.00 C ATOM 272 OH TYR A 18 112.772 64.929 42.144 1.00 0.00 O ATOM 0 H TYR A 18 112.803 64.823 49.920 1.00 0.00 H new ATOM 0 HA TYR A 18 114.231 65.948 47.789 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.864 64.611 48.238 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.214 66.217 47.972 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.122 64.333 46.481 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.422 66.437 45.775 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.432 64.048 44.023 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.729 66.157 43.317 1.00 0.00 H new ATOM 0 HH TYR A 18 113.716 65.059 41.916 1.00 0.00 H new ATOM 282 N THR A 19 112.518 68.240 49.351 1.00 0.00 N ATOM 283 CA THR A 19 112.365 69.717 49.444 1.00 0.00 C ATOM 284 C THR A 19 113.708 70.360 49.804 1.00 0.00 C ATOM 285 O THR A 19 114.030 71.441 49.353 1.00 0.00 O ATOM 286 CB THR A 19 111.339 69.927 50.561 1.00 0.00 C ATOM 287 OG1 THR A 19 110.073 69.443 50.134 1.00 0.00 O ATOM 288 CG2 THR A 19 111.227 71.415 50.899 1.00 0.00 C ATOM 0 H THR A 19 112.038 67.709 50.078 1.00 0.00 H new ATOM 0 HA THR A 19 112.043 70.170 48.506 1.00 0.00 H new ATOM 0 HB THR A 19 111.662 69.384 51.449 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.415 69.575 50.848 1.00 0.00 H new ATOM 0 HG21 THR A 19 110.495 71.553 51.694 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.197 71.787 51.230 1.00 0.00 H new ATOM 0 HG23 THR A 19 110.910 71.966 50.014 1.00 0.00 H new ATOM 296 N VAL A 20 114.495 69.702 50.610 1.00 0.00 N ATOM 297 CA VAL A 20 115.816 70.278 50.998 1.00 0.00 C ATOM 298 C VAL A 20 116.877 69.932 49.951 1.00 0.00 C ATOM 299 O VAL A 20 117.864 70.625 49.802 1.00 0.00 O ATOM 300 CB VAL A 20 116.152 69.628 52.341 1.00 0.00 C ATOM 301 CG1 VAL A 20 117.491 70.166 52.849 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.054 69.958 53.354 1.00 0.00 C ATOM 0 H VAL A 20 114.282 68.791 51.017 1.00 0.00 H new ATOM 0 HA VAL A 20 115.787 71.365 51.067 1.00 0.00 H new ATOM 0 HB VAL A 20 116.220 68.547 52.215 1.00 0.00 H new ATOM 0 HG11 VAL A 20 117.730 69.702 53.806 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.274 69.933 52.127 1.00 0.00 H new ATOM 0 HG13 VAL A 20 117.424 71.247 52.976 1.00 0.00 H new ATOM 0 HG21 VAL A 20 115.292 69.495 54.312 1.00 0.00 H new ATOM 0 HG22 VAL A 20 114.988 71.039 53.479 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.099 69.575 52.993 1.00 0.00 H new ATOM 312 N GLU A 21 116.680 68.873 49.214 1.00 0.00 N ATOM 313 CA GLU A 21 117.684 68.498 48.167 1.00 0.00 C ATOM 314 C GLU A 21 117.504 69.418 46.967 1.00 0.00 C ATOM 315 O GLU A 21 118.415 70.096 46.535 1.00 0.00 O ATOM 316 CB GLU A 21 117.386 67.048 47.740 1.00 0.00 C ATOM 317 CG GLU A 21 116.897 66.206 48.922 1.00 0.00 C ATOM 318 CD GLU A 21 117.628 64.863 48.931 1.00 0.00 C ATOM 319 OE1 GLU A 21 117.436 64.100 47.998 1.00 0.00 O ATOM 320 OE2 GLU A 21 118.367 64.619 49.870 1.00 0.00 O ATOM 0 H GLU A 21 115.874 68.252 49.287 1.00 0.00 H new ATOM 0 HA GLU A 21 118.702 68.588 48.547 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.631 67.047 46.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.286 66.599 47.319 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.076 66.736 49.858 1.00 0.00 H new ATOM 0 HG3 GLU A 21 115.821 66.046 48.847 1.00 0.00 H new ATOM 327 N VAL A 22 116.319 69.436 46.430 1.00 0.00 N ATOM 328 CA VAL A 22 116.034 70.297 45.255 1.00 0.00 C ATOM 329 C VAL A 22 116.367 71.758 45.575 1.00 0.00 C ATOM 330 O VAL A 22 116.836 72.496 44.731 1.00 0.00 O ATOM 331 CB VAL A 22 114.535 70.122 45.012 1.00 0.00 C ATOM 332 CG1 VAL A 22 114.130 70.897 43.764 1.00 0.00 C ATOM 333 CG2 VAL A 22 114.217 68.638 44.808 1.00 0.00 C ATOM 0 H VAL A 22 115.527 68.884 46.760 1.00 0.00 H new ATOM 0 HA VAL A 22 116.627 70.028 44.381 1.00 0.00 H new ATOM 0 HB VAL A 22 113.984 70.498 45.874 1.00 0.00 H new ATOM 0 HG11 VAL A 22 113.061 70.773 43.590 1.00 0.00 H new ATOM 0 HG12 VAL A 22 114.355 71.954 43.903 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.684 70.519 42.905 1.00 0.00 H new ATOM 0 HG21 VAL A 22 113.148 68.515 44.635 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.769 68.263 43.947 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.507 68.078 45.697 1.00 0.00 H new ATOM 343 N LEU A 23 116.130 72.180 46.788 1.00 0.00 N ATOM 344 CA LEU A 23 116.435 73.593 47.158 1.00 0.00 C ATOM 345 C LEU A 23 117.948 73.794 47.295 1.00 0.00 C ATOM 346 O LEU A 23 118.448 74.895 47.186 1.00 0.00 O ATOM 347 CB LEU A 23 115.747 73.808 48.506 1.00 0.00 C ATOM 348 CG LEU A 23 114.359 74.413 48.283 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.499 75.771 47.594 1.00 0.00 C ATOM 350 CD2 LEU A 23 113.530 73.476 47.402 1.00 0.00 C ATOM 0 H LEU A 23 115.739 71.609 47.537 1.00 0.00 H new ATOM 0 HA LEU A 23 116.087 74.298 46.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.661 72.860 49.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.347 74.470 49.131 1.00 0.00 H new ATOM 0 HG LEU A 23 113.861 74.543 49.244 1.00 0.00 H new ATOM 0 HD11 LEU A 23 113.511 76.202 47.435 1.00 0.00 H new ATOM 0 HD12 LEU A 23 115.089 76.438 48.222 1.00 0.00 H new ATOM 0 HD13 LEU A 23 114.997 75.642 46.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 112.541 73.906 47.243 1.00 0.00 H new ATOM 0 HD22 LEU A 23 114.028 73.345 46.441 1.00 0.00 H new ATOM 0 HD23 LEU A 23 113.430 72.508 47.894 1.00 0.00 H new ATOM 362 N ARG A 24 118.678 72.740 47.543 1.00 0.00 N ATOM 363 CA ARG A 24 120.155 72.877 47.695 1.00 0.00 C ATOM 364 C ARG A 24 120.852 72.780 46.335 1.00 0.00 C ATOM 365 O ARG A 24 121.455 73.727 45.867 1.00 0.00 O ATOM 366 CB ARG A 24 120.569 71.712 48.594 1.00 0.00 C ATOM 367 CG ARG A 24 121.896 72.043 49.279 1.00 0.00 C ATOM 368 CD ARG A 24 121.621 72.659 50.652 1.00 0.00 C ATOM 369 NE ARG A 24 122.896 72.499 51.405 1.00 0.00 N ATOM 370 CZ ARG A 24 122.968 71.648 52.392 1.00 0.00 C ATOM 371 NH1 ARG A 24 122.523 71.980 53.573 1.00 0.00 N ATOM 372 NH2 ARG A 24 123.483 70.466 52.196 1.00 0.00 N ATOM 0 H ARG A 24 118.316 71.792 47.647 1.00 0.00 H new ATOM 0 HA ARG A 24 120.433 73.842 48.118 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.798 71.524 49.342 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.669 70.801 48.004 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.497 71.140 49.387 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.471 72.737 48.666 1.00 0.00 H new ATOM 0 HD2 ARG A 24 121.342 73.709 50.565 1.00 0.00 H new ATOM 0 HD3 ARG A 24 120.798 72.151 51.155 1.00 0.00 H new ATOM 0 HE ARG A 24 123.713 73.054 51.149 1.00 0.00 H new ATOM 0 HH11 ARG A 24 122.119 72.904 53.725 1.00 0.00 H new ATOM 0 HH12 ARG A 24 122.579 71.315 54.345 1.00 0.00 H new ATOM 0 HH21 ARG A 24 123.829 70.207 51.272 1.00 0.00 H new ATOM 0 HH22 ARG A 24 123.540 69.800 52.967 1.00 0.00 H new ATOM 386 N GLN A 25 120.785 71.641 45.700 1.00 0.00 N ATOM 387 CA GLN A 25 121.455 71.485 44.375 1.00 0.00 C ATOM 388 C GLN A 25 120.635 72.164 43.274 1.00 0.00 C ATOM 389 O GLN A 25 121.169 72.617 42.280 1.00 0.00 O ATOM 390 CB GLN A 25 121.527 69.975 44.142 1.00 0.00 C ATOM 391 CG GLN A 25 120.112 69.400 44.025 1.00 0.00 C ATOM 392 CD GLN A 25 120.095 67.968 44.566 1.00 0.00 C ATOM 393 OE1 GLN A 25 119.692 67.052 43.877 1.00 0.00 O ATOM 394 NE2 GLN A 25 120.519 67.736 45.778 1.00 0.00 N ATOM 0 H GLN A 25 120.296 70.813 46.040 1.00 0.00 H new ATOM 0 HA GLN A 25 122.442 71.948 44.358 1.00 0.00 H new ATOM 0 HB2 GLN A 25 122.091 69.764 43.233 1.00 0.00 H new ATOM 0 HB3 GLN A 25 122.057 69.496 44.965 1.00 0.00 H new ATOM 0 HG2 GLN A 25 119.409 70.019 44.583 1.00 0.00 H new ATOM 0 HG3 GLN A 25 119.789 69.410 42.984 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.857 68.505 46.356 1.00 0.00 H new ATOM 0 HE22 GLN A 25 120.512 66.785 46.147 1.00 0.00 H new ATOM 403 N GLN A 26 119.342 72.234 43.438 1.00 0.00 N ATOM 404 CA GLN A 26 118.494 72.880 42.395 1.00 0.00 C ATOM 405 C GLN A 26 118.779 72.254 41.023 1.00 0.00 C ATOM 406 O GLN A 26 119.466 72.838 40.209 1.00 0.00 O ATOM 407 CB GLN A 26 118.904 74.353 42.409 1.00 0.00 C ATOM 408 CG GLN A 26 117.761 75.195 42.978 1.00 0.00 C ATOM 409 CD GLN A 26 118.109 76.679 42.853 1.00 0.00 C ATOM 410 OE1 GLN A 26 119.043 77.042 42.166 1.00 0.00 O ATOM 411 NE2 GLN A 26 117.393 77.561 43.497 1.00 0.00 N ATOM 0 H GLN A 26 118.837 71.873 44.247 1.00 0.00 H new ATOM 0 HA GLN A 26 117.429 72.753 42.588 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.803 74.486 43.012 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.146 74.684 41.399 1.00 0.00 H new ATOM 0 HG2 GLN A 26 116.836 74.981 42.442 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.591 74.937 44.023 1.00 0.00 H new ATOM 0 HE21 GLN A 26 116.609 77.258 44.074 1.00 0.00 H new ATOM 0 HE22 GLN A 26 117.618 78.553 43.423 1.00 0.00 H new ATOM 420 N PRO A 27 118.243 71.076 40.812 1.00 0.00 N ATOM 421 CA PRO A 27 118.453 70.368 39.525 1.00 0.00 C ATOM 422 C PRO A 27 117.662 71.049 38.400 1.00 0.00 C ATOM 423 O PRO A 27 116.687 71.727 38.656 1.00 0.00 O ATOM 424 CB PRO A 27 117.919 68.965 39.793 1.00 0.00 C ATOM 425 CG PRO A 27 116.934 69.133 40.904 1.00 0.00 C ATOM 426 CD PRO A 27 117.403 70.300 41.733 1.00 0.00 C ATOM 0 HA PRO A 27 119.495 70.367 39.204 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.445 68.547 38.905 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.722 68.284 40.077 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.935 69.317 40.509 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.876 68.228 41.509 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.564 70.890 42.102 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.967 69.969 42.605 1.00 0.00 H new ATOM 434 N PRO A 28 118.108 70.844 37.185 1.00 0.00 N ATOM 435 CA PRO A 28 117.424 71.450 36.017 1.00 0.00 C ATOM 436 C PRO A 28 116.075 70.766 35.774 1.00 0.00 C ATOM 437 O PRO A 28 115.123 71.385 35.342 1.00 0.00 O ATOM 438 CB PRO A 28 118.385 71.188 34.859 1.00 0.00 C ATOM 439 CG PRO A 28 119.178 69.994 35.282 1.00 0.00 C ATOM 440 CD PRO A 28 119.272 70.044 36.784 1.00 0.00 C ATOM 0 HA PRO A 28 117.207 72.510 36.150 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.844 70.995 33.932 1.00 0.00 H new ATOM 0 HB3 PRO A 28 119.030 72.048 34.679 1.00 0.00 H new ATOM 0 HG2 PRO A 28 118.694 69.073 34.955 1.00 0.00 H new ATOM 0 HG3 PRO A 28 120.171 70.010 34.832 1.00 0.00 H new ATOM 0 HD2 PRO A 28 119.239 69.045 37.220 1.00 0.00 H new ATOM 0 HD3 PRO A 28 120.205 70.504 37.111 1.00 0.00 H new ATOM 448 N ASP A 29 115.988 69.494 36.047 1.00 0.00 N ATOM 449 CA ASP A 29 114.701 68.771 35.832 1.00 0.00 C ATOM 450 C ASP A 29 114.296 68.016 37.101 1.00 0.00 C ATOM 451 O ASP A 29 114.973 67.107 37.536 1.00 0.00 O ATOM 452 CB ASP A 29 114.981 67.791 34.693 1.00 0.00 C ATOM 453 CG ASP A 29 115.423 68.564 33.449 1.00 0.00 C ATOM 454 OD1 ASP A 29 114.732 69.499 33.081 1.00 0.00 O ATOM 455 OD2 ASP A 29 116.445 68.207 32.886 1.00 0.00 O ATOM 0 H ASP A 29 116.751 68.923 36.410 1.00 0.00 H new ATOM 0 HA ASP A 29 113.883 69.451 35.594 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.757 67.085 34.990 1.00 0.00 H new ATOM 0 HB3 ASP A 29 114.087 67.208 34.473 1.00 0.00 H new ATOM 460 N LEU A 30 113.194 68.386 37.695 1.00 0.00 N ATOM 461 CA LEU A 30 112.745 67.686 38.934 1.00 0.00 C ATOM 462 C LEU A 30 112.181 66.308 38.583 1.00 0.00 C ATOM 463 O LEU A 30 112.481 65.323 39.225 1.00 0.00 O ATOM 464 CB LEU A 30 111.652 68.580 39.521 1.00 0.00 C ATOM 465 CG LEU A 30 111.163 67.987 40.843 1.00 0.00 C ATOM 466 CD1 LEU A 30 112.101 68.415 41.972 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.749 68.493 41.137 1.00 0.00 C ATOM 0 H LEU A 30 112.586 69.141 37.377 1.00 0.00 H new ATOM 0 HA LEU A 30 113.561 67.527 39.639 1.00 0.00 H new ATOM 0 HB2 LEU A 30 112.038 69.586 39.682 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.822 68.666 38.820 1.00 0.00 H new ATOM 0 HG LEU A 30 111.153 66.899 40.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.753 67.992 42.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 113.109 68.056 41.764 1.00 0.00 H new ATOM 0 HD13 LEU A 30 112.111 69.503 42.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.400 68.071 42.079 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.759 69.581 41.209 1.00 0.00 H new ATOM 0 HD23 LEU A 30 109.079 68.189 40.333 1.00 0.00 H new ATOM 479 N VAL A 31 111.370 66.233 37.562 1.00 0.00 N ATOM 480 CA VAL A 31 110.790 64.915 37.162 1.00 0.00 C ATOM 481 C VAL A 31 111.903 63.875 37.031 1.00 0.00 C ATOM 482 O VAL A 31 111.927 62.878 37.724 1.00 0.00 O ATOM 483 CB VAL A 31 110.141 65.162 35.802 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.422 63.893 35.343 1.00 0.00 C ATOM 485 CG2 VAL A 31 109.131 66.304 35.920 1.00 0.00 C ATOM 0 H VAL A 31 111.083 67.025 36.987 1.00 0.00 H new ATOM 0 HA VAL A 31 110.076 64.539 37.895 1.00 0.00 H new ATOM 0 HB VAL A 31 110.909 65.428 35.076 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.958 64.068 34.372 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.140 63.078 35.260 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.654 63.627 36.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.667 66.481 34.950 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.363 66.037 36.646 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.642 67.209 36.249 1.00 0.00 H new ATOM 495 N ASP A 32 112.828 64.114 36.146 1.00 0.00 N ATOM 496 CA ASP A 32 113.948 63.157 35.961 1.00 0.00 C ATOM 497 C ASP A 32 114.713 62.988 37.276 1.00 0.00 C ATOM 498 O ASP A 32 115.142 61.905 37.621 1.00 0.00 O ATOM 499 CB ASP A 32 114.831 63.804 34.896 1.00 0.00 C ATOM 500 CG ASP A 32 115.396 62.724 33.972 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.584 61.613 34.439 1.00 0.00 O ATOM 502 OD2 ASP A 32 115.630 63.027 32.814 1.00 0.00 O ATOM 0 H ASP A 32 112.855 64.935 35.541 1.00 0.00 H new ATOM 0 HA ASP A 32 113.612 62.163 35.664 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.252 64.525 34.318 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.645 64.354 35.369 1.00 0.00 H new ATOM 507 N PHE A 33 114.876 64.049 38.018 1.00 0.00 N ATOM 508 CA PHE A 33 115.601 63.941 39.315 1.00 0.00 C ATOM 509 C PHE A 33 114.838 63.007 40.256 1.00 0.00 C ATOM 510 O PHE A 33 115.389 62.075 40.807 1.00 0.00 O ATOM 511 CB PHE A 33 115.632 65.361 39.881 1.00 0.00 C ATOM 512 CG PHE A 33 116.281 65.343 41.244 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.544 64.732 41.416 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.626 65.932 42.349 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.151 64.710 42.692 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.233 65.911 43.624 1.00 0.00 C ATOM 517 CZ PHE A 33 117.495 65.300 43.796 1.00 0.00 C ATOM 0 H PHE A 33 114.540 64.983 37.783 1.00 0.00 H new ATOM 0 HA PHE A 33 116.605 63.535 39.196 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.185 66.019 39.211 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.619 65.758 39.953 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.045 64.282 40.572 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.661 66.398 42.218 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.116 64.243 42.823 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.732 66.362 44.468 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.959 65.284 44.771 1.00 0.00 H new ATOM 527 N ALA A 34 113.568 63.250 40.437 1.00 0.00 N ATOM 528 CA ALA A 34 112.760 62.377 41.337 1.00 0.00 C ATOM 529 C ALA A 34 112.929 60.910 40.936 1.00 0.00 C ATOM 530 O ALA A 34 112.972 60.028 41.771 1.00 0.00 O ATOM 531 CB ALA A 34 111.313 62.828 41.127 1.00 0.00 C ATOM 0 H ALA A 34 113.055 64.016 40.000 1.00 0.00 H new ATOM 0 HA ALA A 34 113.065 62.459 42.380 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.651 62.232 41.756 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.218 63.880 41.394 1.00 0.00 H new ATOM 0 HB3 ALA A 34 111.038 62.693 40.081 1.00 0.00 H new ATOM 537 N VAL A 35 113.028 60.641 39.662 1.00 0.00 N ATOM 538 CA VAL A 35 113.194 59.237 39.205 1.00 0.00 C ATOM 539 C VAL A 35 114.616 58.751 39.498 1.00 0.00 C ATOM 540 O VAL A 35 114.816 57.711 40.091 1.00 0.00 O ATOM 541 CB VAL A 35 112.943 59.297 37.701 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.168 57.917 37.094 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.501 59.740 37.443 1.00 0.00 C ATOM 0 H VAL A 35 113.001 61.338 38.918 1.00 0.00 H new ATOM 0 HA VAL A 35 112.518 58.546 39.709 1.00 0.00 H new ATOM 0 HB VAL A 35 113.629 60.011 37.245 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.989 57.959 36.020 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.195 57.601 37.279 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.481 57.203 37.549 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.320 59.783 36.369 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.814 59.026 37.898 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.340 60.726 37.878 1.00 0.00 H new ATOM 553 N GLU A 36 115.605 59.496 39.087 1.00 0.00 N ATOM 554 CA GLU A 36 117.012 59.075 39.342 1.00 0.00 C ATOM 555 C GLU A 36 117.263 58.954 40.848 1.00 0.00 C ATOM 556 O GLU A 36 118.074 58.165 41.290 1.00 0.00 O ATOM 557 CB GLU A 36 117.872 60.185 38.738 1.00 0.00 C ATOM 558 CG GLU A 36 117.587 60.288 37.238 1.00 0.00 C ATOM 559 CD GLU A 36 118.787 59.756 36.452 1.00 0.00 C ATOM 560 OE1 GLU A 36 118.932 58.548 36.377 1.00 0.00 O ATOM 561 OE2 GLU A 36 119.539 60.567 35.938 1.00 0.00 O ATOM 0 H GLU A 36 115.500 60.378 38.586 1.00 0.00 H new ATOM 0 HA GLU A 36 117.239 58.102 38.906 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.655 61.135 39.227 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.928 59.974 38.905 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.693 59.717 36.987 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.391 61.325 36.965 1.00 0.00 H new ATOM 568 N TYR A 37 116.575 59.731 41.639 1.00 0.00 N ATOM 569 CA TYR A 37 116.778 59.658 43.115 1.00 0.00 C ATOM 570 C TYR A 37 116.047 58.442 43.692 1.00 0.00 C ATOM 571 O TYR A 37 116.661 57.504 44.162 1.00 0.00 O ATOM 572 CB TYR A 37 116.177 60.952 43.662 1.00 0.00 C ATOM 573 CG TYR A 37 116.398 61.018 45.155 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.615 61.522 45.667 1.00 0.00 C ATOM 575 CD2 TYR A 37 115.389 60.575 46.038 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.821 61.584 47.063 1.00 0.00 C ATOM 577 CE2 TYR A 37 115.596 60.636 47.434 1.00 0.00 C ATOM 578 CZ TYR A 37 116.811 61.141 47.947 1.00 0.00 C ATOM 579 OH TYR A 37 117.015 61.202 49.311 1.00 0.00 O ATOM 0 H TYR A 37 115.882 60.412 41.329 1.00 0.00 H new ATOM 0 HA TYR A 37 117.830 59.552 43.381 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.637 61.813 43.177 1.00 0.00 H new ATOM 0 HB3 TYR A 37 115.111 60.993 43.439 1.00 0.00 H new ATOM 0 HD1 TYR A 37 118.387 61.860 44.991 1.00 0.00 H new ATOM 0 HD2 TYR A 37 114.459 60.190 45.646 1.00 0.00 H new ATOM 0 HE1 TYR A 37 118.750 61.970 47.455 1.00 0.00 H new ATOM 0 HE2 TYR A 37 114.825 60.296 48.109 1.00 0.00 H new ATOM 0 HH TYR A 37 116.223 60.860 49.776 1.00 0.00 H new ATOM 589 N PHE A 38 114.742 58.451 43.662 1.00 0.00 N ATOM 590 CA PHE A 38 113.975 57.295 44.211 1.00 0.00 C ATOM 591 C PHE A 38 114.485 55.984 43.607 1.00 0.00 C ATOM 592 O PHE A 38 114.685 55.006 44.301 1.00 0.00 O ATOM 593 CB PHE A 38 112.525 57.552 43.801 1.00 0.00 C ATOM 594 CG PHE A 38 111.920 58.590 44.715 1.00 0.00 C ATOM 595 CD1 PHE A 38 111.985 58.422 46.117 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.289 59.731 44.170 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.418 59.394 46.972 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.723 60.702 45.025 1.00 0.00 C ATOM 599 CZ PHE A 38 110.787 60.533 46.426 1.00 0.00 C ATOM 0 H PHE A 38 114.174 59.208 43.282 1.00 0.00 H new ATOM 0 HA PHE A 38 114.081 57.204 45.292 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.483 57.894 42.767 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.951 56.627 43.854 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.468 57.551 46.535 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.240 59.860 43.099 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.467 59.266 48.043 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.241 61.574 44.608 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.353 61.275 47.080 1.00 0.00 H new ATOM 609 N THR A 39 114.703 55.956 42.320 1.00 0.00 N ATOM 610 CA THR A 39 115.206 54.707 41.680 1.00 0.00 C ATOM 611 C THR A 39 116.488 54.247 42.381 1.00 0.00 C ATOM 612 O THR A 39 116.659 53.082 42.680 1.00 0.00 O ATOM 613 CB THR A 39 115.489 55.092 40.225 1.00 0.00 C ATOM 614 OG1 THR A 39 114.265 55.408 39.576 1.00 0.00 O ATOM 615 CG2 THR A 39 116.162 53.923 39.502 1.00 0.00 C ATOM 0 H THR A 39 114.555 56.741 41.686 1.00 0.00 H new ATOM 0 HA THR A 39 114.493 53.885 41.746 1.00 0.00 H new ATOM 0 HB THR A 39 116.151 55.958 40.202 1.00 0.00 H new ATOM 0 HG1 THR A 39 114.008 56.328 39.793 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.361 54.201 38.467 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.101 53.679 40.000 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.504 53.054 39.524 1.00 0.00 H new ATOM 623 N ARG A 40 117.385 55.155 42.650 1.00 0.00 N ATOM 624 CA ARG A 40 118.650 54.771 43.339 1.00 0.00 C ATOM 625 C ARG A 40 118.360 54.427 44.803 1.00 0.00 C ATOM 626 O ARG A 40 119.061 53.652 45.421 1.00 0.00 O ATOM 627 CB ARG A 40 119.547 56.005 43.243 1.00 0.00 C ATOM 628 CG ARG A 40 120.372 55.936 41.956 1.00 0.00 C ATOM 629 CD ARG A 40 121.780 56.474 42.219 1.00 0.00 C ATOM 630 NE ARG A 40 122.143 57.223 40.983 1.00 0.00 N ATOM 631 CZ ARG A 40 123.116 56.798 40.225 1.00 0.00 C ATOM 632 NH1 ARG A 40 124.355 56.984 40.588 1.00 0.00 N ATOM 633 NH2 ARG A 40 122.850 56.186 39.103 1.00 0.00 N ATOM 0 H ARG A 40 117.297 56.146 42.423 1.00 0.00 H new ATOM 0 HA ARG A 40 119.120 53.896 42.890 1.00 0.00 H new ATOM 0 HB2 ARG A 40 118.940 56.910 43.251 1.00 0.00 H new ATOM 0 HB3 ARG A 40 120.207 56.056 44.109 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.426 54.907 41.601 1.00 0.00 H new ATOM 0 HG3 ARG A 40 119.890 56.519 41.171 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.797 57.124 43.094 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.483 55.663 42.410 1.00 0.00 H new ATOM 0 HE ARG A 40 121.631 58.068 40.730 1.00 0.00 H new ATOM 0 HH11 ARG A 40 124.563 57.462 41.465 1.00 0.00 H new ATOM 0 HH12 ARG A 40 125.116 56.652 39.995 1.00 0.00 H new ATOM 0 HH21 ARG A 40 121.881 56.040 38.819 1.00 0.00 H new ATOM 0 HH22 ARG A 40 123.611 55.854 38.510 1.00 0.00 H new ATOM 647 N LEU A 41 117.324 54.998 45.359 1.00 0.00 N ATOM 648 CA LEU A 41 116.982 54.705 46.781 1.00 0.00 C ATOM 649 C LEU A 41 116.635 53.223 46.942 1.00 0.00 C ATOM 650 O LEU A 41 116.769 52.655 48.008 1.00 0.00 O ATOM 651 CB LEU A 41 115.761 55.575 47.082 1.00 0.00 C ATOM 652 CG LEU A 41 115.664 55.817 48.589 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.724 56.835 49.013 1.00 0.00 C ATOM 654 CD2 LEU A 41 114.274 56.359 48.928 1.00 0.00 C ATOM 0 H LEU A 41 116.700 55.654 44.890 1.00 0.00 H new ATOM 0 HA LEU A 41 117.810 54.916 47.458 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.840 56.526 46.555 1.00 0.00 H new ATOM 0 HB3 LEU A 41 114.856 55.086 46.723 1.00 0.00 H new ATOM 0 HG LEU A 41 115.830 54.879 49.119 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.654 57.007 50.087 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.715 56.451 48.771 1.00 0.00 H new ATOM 0 HD13 LEU A 41 116.559 57.774 48.484 1.00 0.00 H new ATOM 0 HD21 LEU A 41 114.203 56.532 50.002 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.110 57.297 48.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 113.517 55.635 48.626 1.00 0.00 H new ATOM 666 N ARG A 42 116.190 52.593 45.890 1.00 0.00 N ATOM 667 CA ARG A 42 115.836 51.155 45.974 1.00 0.00 C ATOM 668 C ARG A 42 117.112 50.307 46.025 1.00 0.00 C ATOM 669 O ARG A 42 117.124 49.216 46.559 1.00 0.00 O ATOM 670 CB ARG A 42 115.042 50.891 44.691 1.00 0.00 C ATOM 671 CG ARG A 42 114.830 49.392 44.512 1.00 0.00 C ATOM 672 CD ARG A 42 113.342 49.104 44.296 1.00 0.00 C ATOM 673 NE ARG A 42 113.148 47.707 44.773 1.00 0.00 N ATOM 674 CZ ARG A 42 111.948 47.272 45.050 1.00 0.00 C ATOM 675 NH1 ARG A 42 111.325 47.709 46.110 1.00 0.00 N ATOM 676 NH2 ARG A 42 111.374 46.400 44.268 1.00 0.00 N ATOM 0 H ARG A 42 116.057 53.018 44.972 1.00 0.00 H new ATOM 0 HA ARG A 42 115.263 50.902 46.866 1.00 0.00 H new ATOM 0 HB2 ARG A 42 114.079 51.400 44.737 1.00 0.00 H new ATOM 0 HB3 ARG A 42 115.576 51.297 43.832 1.00 0.00 H new ATOM 0 HG2 ARG A 42 115.407 49.032 43.660 1.00 0.00 H new ATOM 0 HG3 ARG A 42 115.190 48.856 45.390 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.719 49.802 44.855 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.069 49.204 43.246 1.00 0.00 H new ATOM 0 HE ARG A 42 113.952 47.090 44.883 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.775 48.390 46.722 1.00 0.00 H new ATOM 0 HH12 ARG A 42 110.388 47.370 46.327 1.00 0.00 H new ATOM 0 HH21 ARG A 42 111.862 46.058 43.440 1.00 0.00 H new ATOM 0 HH22 ARG A 42 110.437 46.060 44.484 1.00 0.00 H new ATOM 690 N GLU A 43 118.187 50.804 45.475 1.00 0.00 N ATOM 691 CA GLU A 43 119.461 50.030 45.495 1.00 0.00 C ATOM 692 C GLU A 43 120.420 50.602 46.546 1.00 0.00 C ATOM 693 O GLU A 43 121.594 50.288 46.563 1.00 0.00 O ATOM 694 CB GLU A 43 120.046 50.197 44.093 1.00 0.00 C ATOM 695 CG GLU A 43 119.622 49.014 43.221 1.00 0.00 C ATOM 696 CD GLU A 43 120.626 48.834 42.080 1.00 0.00 C ATOM 697 OE1 GLU A 43 121.786 48.594 42.371 1.00 0.00 O ATOM 698 OE2 GLU A 43 120.218 48.938 40.936 1.00 0.00 O ATOM 0 H GLU A 43 118.238 51.712 45.013 1.00 0.00 H new ATOM 0 HA GLU A 43 119.300 48.983 45.752 1.00 0.00 H new ATOM 0 HB2 GLU A 43 119.699 51.131 43.651 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.133 50.253 44.145 1.00 0.00 H new ATOM 0 HG2 GLU A 43 119.571 48.106 43.822 1.00 0.00 H new ATOM 0 HG3 GLU A 43 118.624 49.185 42.818 1.00 0.00 H new ATOM 705 N ALA A 44 119.931 51.438 47.423 1.00 0.00 N ATOM 706 CA ALA A 44 120.819 52.023 48.469 1.00 0.00 C ATOM 707 C ALA A 44 120.645 51.275 49.788 1.00 0.00 C ATOM 708 O ALA A 44 121.527 50.574 50.242 1.00 0.00 O ATOM 709 CB ALA A 44 120.349 53.466 48.634 1.00 0.00 C ATOM 0 H ALA A 44 118.958 51.740 47.460 1.00 0.00 H new ATOM 0 HA ALA A 44 121.870 51.958 48.189 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.957 53.963 49.390 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.449 53.992 47.685 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.304 53.475 48.945 1.00 0.00 H new ATOM 715 N ARG A 45 119.508 51.434 50.412 1.00 0.00 N ATOM 716 CA ARG A 45 119.262 50.750 51.711 1.00 0.00 C ATOM 717 C ARG A 45 119.643 49.270 51.617 1.00 0.00 C ATOM 718 O ARG A 45 120.434 48.769 52.392 1.00 0.00 O ATOM 719 CB ARG A 45 117.760 50.899 51.961 1.00 0.00 C ATOM 720 CG ARG A 45 117.519 51.989 53.008 1.00 0.00 C ATOM 721 CD ARG A 45 118.004 51.502 54.374 1.00 0.00 C ATOM 722 NE ARG A 45 117.076 52.127 55.356 1.00 0.00 N ATOM 723 CZ ARG A 45 117.505 52.448 56.546 1.00 0.00 C ATOM 724 NH1 ARG A 45 118.175 53.554 56.722 1.00 0.00 N ATOM 725 NH2 ARG A 45 117.264 51.665 57.562 1.00 0.00 N ATOM 0 H ARG A 45 118.737 52.011 50.075 1.00 0.00 H new ATOM 0 HA ARG A 45 119.856 51.179 52.518 1.00 0.00 H new ATOM 0 HB2 ARG A 45 117.250 51.154 51.032 1.00 0.00 H new ATOM 0 HB3 ARG A 45 117.343 49.952 52.304 1.00 0.00 H new ATOM 0 HG2 ARG A 45 118.046 52.901 52.727 1.00 0.00 H new ATOM 0 HG3 ARG A 45 116.458 52.236 53.054 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.974 50.414 54.439 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.035 51.804 54.558 1.00 0.00 H new ATOM 0 HE ARG A 45 116.105 52.304 55.099 1.00 0.00 H new ATOM 0 HH11 ARG A 45 118.363 54.168 55.929 1.00 0.00 H new ATOM 0 HH12 ARG A 45 118.510 53.805 57.652 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.740 50.801 57.427 1.00 0.00 H new ATOM 0 HH22 ARG A 45 117.600 51.917 58.491 1.00 0.00 H new ATOM 739 N ARG A 46 119.083 48.572 50.671 1.00 0.00 N ATOM 740 CA ARG A 46 119.406 47.125 50.515 1.00 0.00 C ATOM 741 C ARG A 46 120.887 46.948 50.165 1.00 0.00 C ATOM 742 O ARG A 46 121.233 47.157 49.014 1.00 0.00 O ATOM 743 CB ARG A 46 118.522 46.649 49.362 1.00 0.00 C ATOM 744 CG ARG A 46 118.285 45.143 49.487 1.00 0.00 C ATOM 745 CD ARG A 46 116.909 44.795 48.916 1.00 0.00 C ATOM 746 NE ARG A 46 117.091 43.475 48.251 1.00 0.00 N ATOM 747 CZ ARG A 46 117.234 42.397 48.971 1.00 0.00 C ATOM 748 NH1 ARG A 46 116.203 41.879 49.580 1.00 0.00 N ATOM 749 NH2 ARG A 46 118.408 41.837 49.084 1.00 0.00 N ATOM 750 OXT ARG A 46 121.649 46.607 51.055 1.00 0.00 O ATOM 0 H ARG A 46 118.413 48.941 49.996 1.00 0.00 H new ATOM 0 HA ARG A 46 119.227 46.559 51.429 1.00 0.00 H new ATOM 0 HB2 ARG A 46 117.570 47.180 49.377 1.00 0.00 H new ATOM 0 HB3 ARG A 46 118.998 46.875 48.408 1.00 0.00 H new ATOM 0 HG2 ARG A 46 119.062 44.596 48.952 1.00 0.00 H new ATOM 0 HG3 ARG A 46 118.344 44.840 50.532 1.00 0.00 H new ATOM 0 HD2 ARG A 46 116.157 44.740 49.703 1.00 0.00 H new ATOM 0 HD3 ARG A 46 116.573 45.551 48.207 1.00 0.00 H new ATOM 0 HE ARG A 46 117.104 43.414 47.233 1.00 0.00 H new ATOM 0 HH11 ARG A 46 115.286 42.317 49.493 1.00 0.00 H new ATOM 0 HH12 ARG A 46 116.314 41.036 50.143 1.00 0.00 H new ATOM 0 HH21 ARG A 46 119.214 42.243 48.609 1.00 0.00 H new ATOM 0 HH22 ARG A 46 118.519 40.994 49.647 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 117.515 86.690 60.811 1.00 0.00 N ATOM 766 CA HIS B 1 116.223 86.227 60.227 1.00 0.00 C ATOM 767 C HIS B 1 116.125 86.651 58.759 1.00 0.00 C ATOM 768 O HIS B 1 116.031 85.827 57.870 1.00 0.00 O ATOM 769 CB HIS B 1 115.142 86.918 61.059 1.00 0.00 C ATOM 770 CG HIS B 1 114.858 86.102 62.289 1.00 0.00 C ATOM 771 ND1 HIS B 1 114.743 86.675 63.546 1.00 0.00 N ATOM 772 CD2 HIS B 1 114.662 84.755 62.472 1.00 0.00 C ATOM 773 CE1 HIS B 1 114.489 85.686 64.422 1.00 0.00 C ATOM 774 NE2 HIS B 1 114.429 84.495 63.820 1.00 0.00 N ATOM 0 H1 HIS B 1 117.571 86.397 61.807 1.00 0.00 H new ATOM 0 H2 HIS B 1 118.306 86.270 60.282 1.00 0.00 H new ATOM 0 H3 HIS B 1 117.571 87.727 60.752 1.00 0.00 H new ATOM 0 HA HIS B 1 116.124 85.142 60.251 1.00 0.00 H new ATOM 0 HB2 HIS B 1 115.469 87.919 61.341 1.00 0.00 H new ATOM 0 HB3 HIS B 1 114.233 87.035 60.469 1.00 0.00 H new ATOM 0 HD2 HIS B 1 114.685 84.011 61.690 1.00 0.00 H new ATOM 0 HE1 HIS B 1 114.351 85.837 65.482 1.00 0.00 H new ATOM 0 HE2 HIS B 1 114.251 83.590 64.254 1.00 0.00 H new ATOM 784 N MET B 2 116.146 87.930 58.498 1.00 0.00 N ATOM 785 CA MET B 2 116.054 88.405 57.087 1.00 0.00 C ATOM 786 C MET B 2 114.826 87.799 56.402 1.00 0.00 C ATOM 787 O MET B 2 114.099 87.019 56.984 1.00 0.00 O ATOM 788 CB MET B 2 117.338 87.914 56.418 1.00 0.00 C ATOM 789 CG MET B 2 118.394 89.019 56.465 1.00 0.00 C ATOM 790 SD MET B 2 120.031 88.302 56.182 1.00 0.00 S ATOM 791 CE MET B 2 120.745 88.713 57.793 1.00 0.00 C ATOM 0 H MET B 2 116.223 88.666 59.200 1.00 0.00 H new ATOM 0 HA MET B 2 115.950 89.488 57.023 1.00 0.00 H new ATOM 0 HB2 MET B 2 117.707 87.023 56.925 1.00 0.00 H new ATOM 0 HB3 MET B 2 117.137 87.632 55.384 1.00 0.00 H new ATOM 0 HG2 MET B 2 118.180 89.774 55.708 1.00 0.00 H new ATOM 0 HG3 MET B 2 118.367 89.521 57.432 1.00 0.00 H new ATOM 0 HE1 MET B 2 121.774 88.355 57.837 1.00 0.00 H new ATOM 0 HE2 MET B 2 120.731 89.794 57.932 1.00 0.00 H new ATOM 0 HE3 MET B 2 120.161 88.238 58.582 1.00 0.00 H new ATOM 801 N GLY B 3 114.589 88.152 55.168 1.00 0.00 N ATOM 802 CA GLY B 3 113.409 87.598 54.447 1.00 0.00 C ATOM 803 C GLY B 3 113.757 86.221 53.879 1.00 0.00 C ATOM 804 O GLY B 3 114.565 86.097 52.980 1.00 0.00 O ATOM 0 H GLY B 3 115.162 88.800 54.628 1.00 0.00 H new ATOM 0 HA2 GLY B 3 112.559 87.519 55.125 1.00 0.00 H new ATOM 0 HA3 GLY B 3 113.113 88.271 53.642 1.00 0.00 H new ATOM 808 N HIS B 4 113.151 85.186 54.392 1.00 0.00 N ATOM 809 CA HIS B 4 113.447 83.818 53.879 1.00 0.00 C ATOM 810 C HIS B 4 112.190 83.208 53.249 1.00 0.00 C ATOM 811 O HIS B 4 111.831 82.080 53.525 1.00 0.00 O ATOM 812 CB HIS B 4 113.873 83.016 55.109 1.00 0.00 C ATOM 813 CG HIS B 4 114.330 81.648 54.684 1.00 0.00 C ATOM 814 ND1 HIS B 4 113.685 80.492 55.094 1.00 0.00 N ATOM 815 CD2 HIS B 4 115.366 81.236 53.882 1.00 0.00 C ATOM 816 CE1 HIS B 4 114.334 79.449 54.545 1.00 0.00 C ATOM 817 NE2 HIS B 4 115.367 79.846 53.797 1.00 0.00 N ATOM 0 H HIS B 4 112.464 85.228 55.144 1.00 0.00 H new ATOM 0 HA HIS B 4 114.219 83.823 53.110 1.00 0.00 H new ATOM 0 HB2 HIS B 4 114.677 83.533 55.632 1.00 0.00 H new ATOM 0 HB3 HIS B 4 113.040 82.932 55.807 1.00 0.00 H new ATOM 0 HD2 HIS B 4 116.072 81.890 53.392 1.00 0.00 H new ATOM 0 HE1 HIS B 4 114.054 78.416 54.691 1.00 0.00 H new ATOM 0 HE2 HIS B 4 116.017 79.258 53.276 1.00 0.00 H new ATOM 825 N ILE B 5 111.521 83.946 52.407 1.00 0.00 N ATOM 826 CA ILE B 5 110.288 83.412 51.762 1.00 0.00 C ATOM 827 C ILE B 5 110.484 83.296 50.247 1.00 0.00 C ATOM 828 O ILE B 5 109.978 84.094 49.484 1.00 0.00 O ATOM 829 CB ILE B 5 109.203 84.438 52.084 1.00 0.00 C ATOM 830 CG1 ILE B 5 107.884 84.002 51.441 1.00 0.00 C ATOM 831 CG2 ILE B 5 109.615 85.806 51.535 1.00 0.00 C ATOM 832 CD1 ILE B 5 106.881 83.631 52.535 1.00 0.00 C ATOM 0 H ILE B 5 111.775 84.896 52.137 1.00 0.00 H new ATOM 0 HA ILE B 5 110.032 82.416 52.123 1.00 0.00 H new ATOM 0 HB ILE B 5 109.074 84.506 53.164 1.00 0.00 H new ATOM 0 HG12 ILE B 5 107.484 84.807 50.824 1.00 0.00 H new ATOM 0 HG13 ILE B 5 108.052 83.150 50.783 1.00 0.00 H new ATOM 0 HG21 ILE B 5 108.841 86.538 51.765 1.00 0.00 H new ATOM 0 HG22 ILE B 5 110.554 86.115 51.994 1.00 0.00 H new ATOM 0 HG23 ILE B 5 109.744 85.741 50.455 1.00 0.00 H new ATOM 0 HD11 ILE B 5 105.942 83.321 52.077 1.00 0.00 H new ATOM 0 HD12 ILE B 5 107.281 82.812 53.133 1.00 0.00 H new ATOM 0 HD13 ILE B 5 106.704 84.495 53.175 1.00 0.00 H new ATOM 844 N GLN B 6 111.212 82.306 49.806 1.00 0.00 N ATOM 845 CA GLN B 6 111.435 82.137 48.341 1.00 0.00 C ATOM 846 C GLN B 6 111.181 80.683 47.936 1.00 0.00 C ATOM 847 O GLN B 6 112.097 79.939 47.646 1.00 0.00 O ATOM 848 CB GLN B 6 112.902 82.509 48.118 1.00 0.00 C ATOM 849 CG GLN B 6 112.986 83.889 47.462 1.00 0.00 C ATOM 850 CD GLN B 6 114.382 84.090 46.869 1.00 0.00 C ATOM 851 OE1 GLN B 6 114.946 83.182 46.292 1.00 0.00 O ATOM 852 NE2 GLN B 6 114.967 85.250 46.989 1.00 0.00 N ATOM 0 H GLN B 6 111.662 81.607 50.397 1.00 0.00 H new ATOM 0 HA GLN B 6 110.764 82.756 47.745 1.00 0.00 H new ATOM 0 HB2 GLN B 6 113.435 82.514 49.069 1.00 0.00 H new ATOM 0 HB3 GLN B 6 113.385 81.764 47.485 1.00 0.00 H new ATOM 0 HG2 GLN B 6 112.231 83.978 46.680 1.00 0.00 H new ATOM 0 HG3 GLN B 6 112.777 84.666 48.197 1.00 0.00 H new ATOM 0 HE21 GLN B 6 114.493 86.012 47.474 1.00 0.00 H new ATOM 0 HE22 GLN B 6 115.898 85.394 46.598 1.00 0.00 H new ATOM 861 N ILE B 7 109.942 80.271 47.917 1.00 0.00 N ATOM 862 CA ILE B 7 109.627 78.863 47.537 1.00 0.00 C ATOM 863 C ILE B 7 109.098 78.804 46.094 1.00 0.00 C ATOM 864 O ILE B 7 108.228 79.570 45.729 1.00 0.00 O ATOM 865 CB ILE B 7 108.541 78.426 48.520 1.00 0.00 C ATOM 866 CG1 ILE B 7 109.088 78.497 49.948 1.00 0.00 C ATOM 867 CG2 ILE B 7 108.114 76.991 48.207 1.00 0.00 C ATOM 868 CD1 ILE B 7 110.299 77.572 50.078 1.00 0.00 C ATOM 0 H ILE B 7 109.134 80.849 48.148 1.00 0.00 H new ATOM 0 HA ILE B 7 110.505 78.218 47.579 1.00 0.00 H new ATOM 0 HB ILE B 7 107.680 79.088 48.427 1.00 0.00 H new ATOM 0 HG12 ILE B 7 109.372 79.521 50.189 1.00 0.00 H new ATOM 0 HG13 ILE B 7 108.316 78.204 50.659 1.00 0.00 H new ATOM 0 HG21 ILE B 7 107.340 76.681 48.909 1.00 0.00 H new ATOM 0 HG22 ILE B 7 107.724 76.941 47.190 1.00 0.00 H new ATOM 0 HG23 ILE B 7 108.974 76.327 48.299 1.00 0.00 H new ATOM 0 HD11 ILE B 7 110.688 77.623 51.095 1.00 0.00 H new ATOM 0 HD12 ILE B 7 110.000 76.548 49.855 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.073 77.885 49.377 1.00 0.00 H new ATOM 880 N PRO B 8 109.635 77.893 45.316 1.00 0.00 N ATOM 881 CA PRO B 8 109.191 77.748 43.908 1.00 0.00 C ATOM 882 C PRO B 8 107.812 77.072 43.851 1.00 0.00 C ATOM 883 O PRO B 8 107.651 75.969 44.331 1.00 0.00 O ATOM 884 CB PRO B 8 110.255 76.853 43.284 1.00 0.00 C ATOM 885 CG PRO B 8 110.829 76.078 44.424 1.00 0.00 C ATOM 886 CD PRO B 8 110.688 76.927 45.660 1.00 0.00 C ATOM 0 HA PRO B 8 109.088 78.703 43.392 1.00 0.00 H new ATOM 0 HB2 PRO B 8 109.822 76.190 42.535 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.022 77.443 42.783 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.305 75.130 44.547 1.00 0.00 H new ATOM 0 HG3 PRO B 8 111.877 75.841 44.238 1.00 0.00 H new ATOM 0 HD2 PRO B 8 110.410 76.326 46.526 1.00 0.00 H new ATOM 0 HD3 PRO B 8 111.623 77.429 45.907 1.00 0.00 H new ATOM 894 N PRO B 9 106.854 77.754 43.268 1.00 0.00 N ATOM 895 CA PRO B 9 105.485 77.191 43.165 1.00 0.00 C ATOM 896 C PRO B 9 105.436 76.087 42.103 1.00 0.00 C ATOM 897 O PRO B 9 106.303 75.986 41.258 1.00 0.00 O ATOM 898 CB PRO B 9 104.634 78.385 42.741 1.00 0.00 C ATOM 899 CG PRO B 9 105.584 79.316 42.056 1.00 0.00 C ATOM 900 CD PRO B 9 106.946 79.089 42.660 1.00 0.00 C ATOM 0 HA PRO B 9 105.142 76.736 44.094 1.00 0.00 H new ATOM 0 HB2 PRO B 9 103.830 78.079 42.071 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.167 78.862 43.602 1.00 0.00 H new ATOM 0 HG2 PRO B 9 105.603 79.125 40.983 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.272 80.352 42.190 1.00 0.00 H new ATOM 0 HD2 PRO B 9 107.729 79.128 41.903 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.183 79.850 43.404 1.00 0.00 H new ATOM 908 N GLY B 10 104.426 75.262 42.140 1.00 0.00 N ATOM 909 CA GLY B 10 104.318 74.168 41.133 1.00 0.00 C ATOM 910 C GLY B 10 104.851 72.863 41.727 1.00 0.00 C ATOM 911 O GLY B 10 104.370 71.790 41.421 1.00 0.00 O ATOM 0 H GLY B 10 103.670 75.298 42.824 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.279 74.042 40.829 1.00 0.00 H new ATOM 0 HA3 GLY B 10 104.883 74.428 40.238 1.00 0.00 H new ATOM 915 N LEU B 11 105.843 72.943 42.570 1.00 0.00 N ATOM 916 CA LEU B 11 106.406 71.703 43.179 1.00 0.00 C ATOM 917 C LEU B 11 105.505 71.209 44.314 1.00 0.00 C ATOM 918 O LEU B 11 105.391 70.025 44.558 1.00 0.00 O ATOM 919 CB LEU B 11 107.775 72.114 43.721 1.00 0.00 C ATOM 920 CG LEU B 11 108.794 71.014 43.421 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.159 71.644 43.140 1.00 0.00 C ATOM 922 CD2 LEU B 11 108.904 70.080 44.629 1.00 0.00 C ATOM 0 H LEU B 11 106.289 73.812 42.864 1.00 0.00 H new ATOM 0 HA LEU B 11 106.480 70.888 42.458 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.092 73.052 43.265 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.716 72.286 44.796 1.00 0.00 H new ATOM 0 HG LEU B 11 108.470 70.447 42.549 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.885 70.859 42.926 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.082 72.311 42.281 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.484 72.211 44.012 1.00 0.00 H new ATOM 0 HD21 LEU B 11 109.630 69.295 44.417 1.00 0.00 H new ATOM 0 HD22 LEU B 11 109.229 70.649 45.500 1.00 0.00 H new ATOM 0 HD23 LEU B 11 107.932 69.630 44.831 1.00 0.00 H new ATOM 934 N THR B 12 104.864 72.107 45.011 1.00 0.00 N ATOM 935 CA THR B 12 103.972 71.685 46.130 1.00 0.00 C ATOM 936 C THR B 12 102.866 70.766 45.610 1.00 0.00 C ATOM 937 O THR B 12 102.697 69.655 46.072 1.00 0.00 O ATOM 938 CB THR B 12 103.376 72.986 46.674 1.00 0.00 C ATOM 939 OG1 THR B 12 104.421 73.916 46.922 1.00 0.00 O ATOM 940 CG2 THR B 12 102.625 72.700 47.974 1.00 0.00 C ATOM 0 H THR B 12 104.919 73.114 44.855 1.00 0.00 H new ATOM 0 HA THR B 12 104.510 71.129 46.898 1.00 0.00 H new ATOM 0 HB THR B 12 102.684 73.404 45.942 1.00 0.00 H new ATOM 0 HG1 THR B 12 104.041 74.750 47.269 1.00 0.00 H new ATOM 0 HG21 THR B 12 102.201 73.627 48.361 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.824 71.987 47.782 1.00 0.00 H new ATOM 0 HG23 THR B 12 103.314 72.282 48.708 1.00 0.00 H new ATOM 948 N GLU B 13 102.111 71.223 44.651 1.00 0.00 N ATOM 949 CA GLU B 13 101.012 70.380 44.097 1.00 0.00 C ATOM 950 C GLU B 13 101.545 69.001 43.696 1.00 0.00 C ATOM 951 O GLU B 13 100.834 68.016 43.737 1.00 0.00 O ATOM 952 CB GLU B 13 100.514 71.142 42.869 1.00 0.00 C ATOM 953 CG GLU B 13 99.735 72.379 43.318 1.00 0.00 C ATOM 954 CD GLU B 13 98.256 72.023 43.475 1.00 0.00 C ATOM 955 OE1 GLU B 13 97.631 71.714 42.474 1.00 0.00 O ATOM 956 OE2 GLU B 13 97.771 72.065 44.595 1.00 0.00 O ATOM 0 H GLU B 13 102.206 72.145 44.225 1.00 0.00 H new ATOM 0 HA GLU B 13 100.217 70.209 44.823 1.00 0.00 H new ATOM 0 HB2 GLU B 13 101.357 71.437 42.244 1.00 0.00 H new ATOM 0 HB3 GLU B 13 99.877 70.499 42.262 1.00 0.00 H new ATOM 0 HG2 GLU B 13 100.133 72.749 44.263 1.00 0.00 H new ATOM 0 HG3 GLU B 13 99.851 73.180 42.588 1.00 0.00 H new ATOM 963 N LEU B 14 102.788 68.922 43.309 1.00 0.00 N ATOM 964 CA LEU B 14 103.361 67.604 42.907 1.00 0.00 C ATOM 965 C LEU B 14 103.517 66.701 44.133 1.00 0.00 C ATOM 966 O LEU B 14 102.990 65.607 44.183 1.00 0.00 O ATOM 967 CB LEU B 14 104.728 67.933 42.304 1.00 0.00 C ATOM 968 CG LEU B 14 105.272 66.707 41.570 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.478 66.487 40.280 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.745 66.933 41.226 1.00 0.00 C ATOM 0 H LEU B 14 103.432 69.711 43.253 1.00 0.00 H new ATOM 0 HA LEU B 14 102.722 67.073 42.201 1.00 0.00 H new ATOM 0 HB2 LEU B 14 104.640 68.773 41.615 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.420 68.236 43.090 1.00 0.00 H new ATOM 0 HG LEU B 14 105.176 65.830 42.210 1.00 0.00 H new ATOM 0 HD11 LEU B 14 104.867 65.613 39.758 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.427 66.327 40.522 1.00 0.00 H new ATOM 0 HD13 LEU B 14 104.574 67.364 39.640 1.00 0.00 H new ATOM 0 HD21 LEU B 14 107.135 66.060 40.703 1.00 0.00 H new ATOM 0 HD22 LEU B 14 106.839 67.811 40.587 1.00 0.00 H new ATOM 0 HD23 LEU B 14 107.313 67.090 42.143 1.00 0.00 H new ATOM 982 N LEU B 15 104.237 67.151 45.125 1.00 0.00 N ATOM 983 CA LEU B 15 104.425 66.319 46.348 1.00 0.00 C ATOM 984 C LEU B 15 103.079 66.081 47.037 1.00 0.00 C ATOM 985 O LEU B 15 102.756 64.975 47.422 1.00 0.00 O ATOM 986 CB LEU B 15 105.352 67.139 47.246 1.00 0.00 C ATOM 987 CG LEU B 15 106.734 66.488 47.284 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.426 66.676 45.932 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.576 67.145 48.380 1.00 0.00 C ATOM 0 H LEU B 15 104.703 68.058 45.141 1.00 0.00 H new ATOM 0 HA LEU B 15 104.842 65.338 46.121 1.00 0.00 H new ATOM 0 HB2 LEU B 15 105.429 68.160 46.871 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.939 67.200 48.253 1.00 0.00 H new ATOM 0 HG LEU B 15 106.627 65.424 47.493 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.412 66.211 45.960 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.827 66.210 45.149 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.532 67.740 45.723 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.562 66.682 48.408 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.681 68.209 48.169 1.00 0.00 H new ATOM 0 HD23 LEU B 15 107.085 67.013 49.344 1.00 0.00 H new ATOM 1001 N GLN B 16 102.290 67.110 47.190 1.00 0.00 N ATOM 1002 CA GLN B 16 100.961 66.939 47.849 1.00 0.00 C ATOM 1003 C GLN B 16 100.181 65.815 47.162 1.00 0.00 C ATOM 1004 O GLN B 16 99.442 65.084 47.791 1.00 0.00 O ATOM 1005 CB GLN B 16 100.250 68.280 47.664 1.00 0.00 C ATOM 1006 CG GLN B 16 99.786 68.808 49.024 1.00 0.00 C ATOM 1007 CD GLN B 16 99.064 70.143 48.835 1.00 0.00 C ATOM 1008 OE1 GLN B 16 99.481 70.966 48.045 1.00 0.00 O ATOM 1009 NE2 GLN B 16 97.991 70.396 49.534 1.00 0.00 N ATOM 0 H GLN B 16 102.507 68.060 46.888 1.00 0.00 H new ATOM 0 HA GLN B 16 101.049 66.671 48.902 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.923 68.998 47.194 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.395 68.161 46.998 1.00 0.00 H new ATOM 0 HG2 GLN B 16 99.120 68.087 49.498 1.00 0.00 H new ATOM 0 HG3 GLN B 16 100.641 68.936 49.687 1.00 0.00 H new ATOM 0 HE21 GLN B 16 97.640 69.705 50.198 1.00 0.00 H new ATOM 0 HE22 GLN B 16 97.503 71.284 49.417 1.00 0.00 H new ATOM 1018 N GLY B 17 100.347 65.667 45.876 1.00 0.00 N ATOM 1019 CA GLY B 17 99.624 64.584 45.153 1.00 0.00 C ATOM 1020 C GLY B 17 100.054 63.234 45.724 1.00 0.00 C ATOM 1021 O GLY B 17 99.240 62.464 46.195 1.00 0.00 O ATOM 0 H GLY B 17 100.951 66.249 45.296 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.547 64.713 45.261 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.845 64.630 44.087 1.00 0.00 H new ATOM 1025 N TYR B 18 101.333 62.946 45.692 1.00 0.00 N ATOM 1026 CA TYR B 18 101.840 61.651 46.238 1.00 0.00 C ATOM 1027 C TYR B 18 101.197 61.349 47.595 1.00 0.00 C ATOM 1028 O TYR B 18 100.912 60.214 47.922 1.00 0.00 O ATOM 1029 CB TYR B 18 103.342 61.869 46.404 1.00 0.00 C ATOM 1030 CG TYR B 18 104.057 60.559 46.210 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.807 59.789 45.056 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.972 60.101 47.184 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.472 58.556 44.871 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.638 58.870 47.001 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.389 58.097 45.844 1.00 0.00 C ATOM 1036 OH TYR B 18 106.038 56.894 45.668 1.00 0.00 O ATOM 0 H TYR B 18 102.052 63.559 45.307 1.00 0.00 H new ATOM 0 HA TYR B 18 101.607 60.809 45.586 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.697 62.602 45.679 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.556 62.271 47.395 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.107 60.142 44.313 1.00 0.00 H new ATOM 0 HD2 TYR B 18 105.162 60.692 48.068 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.280 57.965 43.988 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.338 58.519 47.745 1.00 0.00 H new ATOM 0 HH TYR B 18 105.427 56.251 45.251 1.00 0.00 H new ATOM 1046 N THR B 19 100.968 62.361 48.383 1.00 0.00 N ATOM 1047 CA THR B 19 100.342 62.145 49.716 1.00 0.00 C ATOM 1048 C THR B 19 98.891 61.683 49.546 1.00 0.00 C ATOM 1049 O THR B 19 98.390 60.885 50.312 1.00 0.00 O ATOM 1050 CB THR B 19 100.406 63.516 50.395 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.761 63.845 50.659 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.622 63.489 51.708 1.00 0.00 C ATOM 0 H THR B 19 101.188 63.332 48.160 1.00 0.00 H new ATOM 0 HA THR B 19 100.846 61.376 50.302 1.00 0.00 H new ATOM 0 HB THR B 19 99.966 64.264 49.735 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.806 64.723 51.092 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.674 64.469 52.183 1.00 0.00 H new ATOM 0 HG22 THR B 19 98.581 63.239 51.505 1.00 0.00 H new ATOM 0 HG23 THR B 19 100.052 62.740 52.373 1.00 0.00 H new ATOM 1060 N VAL B 20 98.214 62.178 48.546 1.00 0.00 N ATOM 1061 CA VAL B 20 96.797 61.767 48.332 1.00 0.00 C ATOM 1062 C VAL B 20 96.734 60.472 47.515 1.00 0.00 C ATOM 1063 O VAL B 20 95.780 59.725 47.594 1.00 0.00 O ATOM 1064 CB VAL B 20 96.161 62.923 47.559 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.686 62.613 47.299 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.272 64.207 48.384 1.00 0.00 C ATOM 0 H VAL B 20 98.580 62.848 47.869 1.00 0.00 H new ATOM 0 HA VAL B 20 96.279 61.571 49.271 1.00 0.00 H new ATOM 0 HB VAL B 20 96.678 63.053 46.608 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.233 63.437 46.748 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.604 61.697 46.714 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.168 62.484 48.249 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.819 65.033 47.835 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.754 64.075 49.334 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.322 64.429 48.572 1.00 0.00 H new ATOM 1076 N GLU B 21 97.748 60.194 46.741 1.00 0.00 N ATOM 1077 CA GLU B 21 97.739 58.934 45.932 1.00 0.00 C ATOM 1078 C GLU B 21 98.063 57.763 46.849 1.00 0.00 C ATOM 1079 O GLU B 21 97.316 56.811 46.961 1.00 0.00 O ATOM 1080 CB GLU B 21 98.847 59.063 44.869 1.00 0.00 C ATOM 1081 CG GLU B 21 98.981 60.502 44.368 1.00 0.00 C ATOM 1082 CD GLU B 21 99.075 60.509 42.842 1.00 0.00 C ATOM 1083 OE1 GLU B 21 100.049 59.987 42.325 1.00 0.00 O ATOM 1084 OE2 GLU B 21 98.171 61.037 42.214 1.00 0.00 O ATOM 0 H GLU B 21 98.578 60.777 46.632 1.00 0.00 H new ATOM 0 HA GLU B 21 96.768 58.773 45.463 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.797 58.734 45.291 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.625 58.404 44.030 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.123 61.092 44.692 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.868 60.966 44.799 1.00 0.00 H new ATOM 1091 N VAL B 22 99.184 57.837 47.503 1.00 0.00 N ATOM 1092 CA VAL B 22 99.597 56.749 48.424 1.00 0.00 C ATOM 1093 C VAL B 22 98.514 56.511 49.480 1.00 0.00 C ATOM 1094 O VAL B 22 98.268 55.393 49.889 1.00 0.00 O ATOM 1095 CB VAL B 22 100.882 57.265 49.069 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.457 56.190 49.984 1.00 0.00 C ATOM 1097 CG2 VAL B 22 101.905 57.600 47.979 1.00 0.00 C ATOM 0 H VAL B 22 99.840 58.615 47.437 1.00 0.00 H new ATOM 0 HA VAL B 22 99.747 55.798 47.913 1.00 0.00 H new ATOM 0 HB VAL B 22 100.660 58.161 49.649 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.374 56.557 50.445 1.00 0.00 H new ATOM 0 HG12 VAL B 22 100.732 55.948 50.761 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.677 55.295 49.401 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.821 57.968 48.441 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.125 56.704 47.399 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.497 58.367 47.321 1.00 0.00 H new ATOM 1107 N LEU B 23 97.864 57.553 49.927 1.00 0.00 N ATOM 1108 CA LEU B 23 96.797 57.381 50.956 1.00 0.00 C ATOM 1109 C LEU B 23 95.545 56.761 50.328 1.00 0.00 C ATOM 1110 O LEU B 23 94.730 56.168 51.005 1.00 0.00 O ATOM 1111 CB LEU B 23 96.497 58.796 51.456 1.00 0.00 C ATOM 1112 CG LEU B 23 97.328 59.086 52.707 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.952 58.096 53.811 1.00 0.00 C ATOM 1114 CD2 LEU B 23 98.815 58.941 52.376 1.00 0.00 C ATOM 0 H LEU B 23 98.025 58.514 49.625 1.00 0.00 H new ATOM 0 HA LEU B 23 97.109 56.718 51.763 1.00 0.00 H new ATOM 0 HB2 LEU B 23 96.727 59.524 50.678 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.435 58.895 51.682 1.00 0.00 H new ATOM 0 HG LEU B 23 97.129 60.102 53.048 1.00 0.00 H new ATOM 0 HD11 LEU B 23 97.544 58.303 54.702 1.00 0.00 H new ATOM 0 HD12 LEU B 23 95.893 58.199 54.047 1.00 0.00 H new ATOM 0 HD13 LEU B 23 97.151 57.080 53.471 1.00 0.00 H new ATOM 0 HD21 LEU B 23 99.408 59.148 53.267 1.00 0.00 H new ATOM 0 HD22 LEU B 23 99.014 57.925 52.035 1.00 0.00 H new ATOM 0 HD23 LEU B 23 99.083 59.647 51.590 1.00 0.00 H new ATOM 1126 N ARG B 24 95.382 56.900 49.041 1.00 0.00 N ATOM 1127 CA ARG B 24 94.176 56.325 48.376 1.00 0.00 C ATOM 1128 C ARG B 24 94.423 54.868 47.972 1.00 0.00 C ATOM 1129 O ARG B 24 93.791 53.961 48.476 1.00 0.00 O ATOM 1130 CB ARG B 24 93.956 57.193 47.137 1.00 0.00 C ATOM 1131 CG ARG B 24 92.493 57.094 46.699 1.00 0.00 C ATOM 1132 CD ARG B 24 91.696 58.242 47.322 1.00 0.00 C ATOM 1133 NE ARG B 24 90.463 58.345 46.495 1.00 0.00 N ATOM 1134 CZ ARG B 24 90.295 59.367 45.699 1.00 0.00 C ATOM 1135 NH1 ARG B 24 89.851 60.498 46.174 1.00 0.00 N ATOM 1136 NH2 ARG B 24 90.573 59.255 44.429 1.00 0.00 N ATOM 0 H ARG B 24 96.030 57.386 48.421 1.00 0.00 H new ATOM 0 HA ARG B 24 93.309 56.323 49.036 1.00 0.00 H new ATOM 0 HB2 ARG B 24 94.212 58.230 47.356 1.00 0.00 H new ATOM 0 HB3 ARG B 24 94.612 56.866 46.330 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.424 57.137 45.612 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.074 56.136 47.008 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.456 58.036 48.365 1.00 0.00 H new ATOM 0 HD3 ARG B 24 92.263 59.173 47.303 1.00 0.00 H new ATOM 0 HE ARG B 24 89.750 57.618 46.550 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.635 60.584 47.167 1.00 0.00 H new ATOM 0 HH12 ARG B 24 89.720 61.296 45.552 1.00 0.00 H new ATOM 0 HH21 ARG B 24 90.921 58.370 44.059 1.00 0.00 H new ATOM 0 HH22 ARG B 24 90.442 60.052 43.806 1.00 0.00 H new ATOM 1150 N GLN B 25 95.328 54.636 47.061 1.00 0.00 N ATOM 1151 CA GLN B 25 95.602 53.237 46.622 1.00 0.00 C ATOM 1152 C GLN B 25 96.446 52.499 47.665 1.00 0.00 C ATOM 1153 O GLN B 25 96.366 51.294 47.802 1.00 0.00 O ATOM 1154 CB GLN B 25 96.371 53.377 45.306 1.00 0.00 C ATOM 1155 CG GLN B 25 97.716 54.062 45.565 1.00 0.00 C ATOM 1156 CD GLN B 25 98.114 54.885 44.338 1.00 0.00 C ATOM 1157 OE1 GLN B 25 99.183 54.706 43.791 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.290 55.787 43.878 1.00 0.00 N ATOM 0 H GLN B 25 95.889 55.353 46.602 1.00 0.00 H new ATOM 0 HA GLN B 25 94.685 52.660 46.500 1.00 0.00 H new ATOM 0 HB2 GLN B 25 96.532 52.395 44.861 1.00 0.00 H new ATOM 0 HB3 GLN B 25 95.787 53.958 44.592 1.00 0.00 H new ATOM 0 HG2 GLN B 25 97.645 54.707 46.441 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.481 53.316 45.779 1.00 0.00 H new ATOM 0 HE21 GLN B 25 96.392 55.938 44.337 1.00 0.00 H new ATOM 0 HE22 GLN B 25 97.545 56.340 43.060 1.00 0.00 H new ATOM 1167 N GLN B 26 97.258 53.210 48.399 1.00 0.00 N ATOM 1168 CA GLN B 26 98.108 52.544 49.427 1.00 0.00 C ATOM 1169 C GLN B 26 98.903 51.396 48.791 1.00 0.00 C ATOM 1170 O GLN B 26 98.557 50.243 48.954 1.00 0.00 O ATOM 1171 CB GLN B 26 97.123 52.005 50.465 1.00 0.00 C ATOM 1172 CG GLN B 26 97.261 52.805 51.762 1.00 0.00 C ATOM 1173 CD GLN B 26 96.386 52.174 52.846 1.00 0.00 C ATOM 1174 OE1 GLN B 26 95.899 51.073 52.686 1.00 0.00 O ATOM 1175 NE2 GLN B 26 96.161 52.832 53.950 1.00 0.00 N ATOM 0 H GLN B 26 97.370 54.222 48.332 1.00 0.00 H new ATOM 0 HA GLN B 26 98.834 53.226 49.870 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.103 52.078 50.087 1.00 0.00 H new ATOM 0 HB3 GLN B 26 97.318 50.949 50.654 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.302 52.820 52.083 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.963 53.840 51.597 1.00 0.00 H new ATOM 0 HE21 GLN B 26 96.570 53.757 54.085 1.00 0.00 H new ATOM 0 HE22 GLN B 26 95.576 52.422 54.678 1.00 0.00 H new ATOM 1184 N PRO B 27 99.945 51.750 48.080 1.00 0.00 N ATOM 1185 CA PRO B 27 100.788 50.728 47.412 1.00 0.00 C ATOM 1186 C PRO B 27 101.623 49.958 48.443 1.00 0.00 C ATOM 1187 O PRO B 27 101.879 50.453 49.522 1.00 0.00 O ATOM 1188 CB PRO B 27 101.684 51.548 46.488 1.00 0.00 C ATOM 1189 CG PRO B 27 101.739 52.907 47.108 1.00 0.00 C ATOM 1190 CD PRO B 27 100.434 53.112 47.831 1.00 0.00 C ATOM 0 HA PRO B 27 100.205 49.978 46.877 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.679 51.109 46.411 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.276 51.591 45.478 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.579 52.982 47.799 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.883 53.673 46.346 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.576 53.661 48.762 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.730 53.684 47.228 1.00 0.00 H new ATOM 1198 N PRO B 28 102.025 48.765 48.074 1.00 0.00 N ATOM 1199 CA PRO B 28 102.841 47.926 48.986 1.00 0.00 C ATOM 1200 C PRO B 28 104.254 48.500 49.120 1.00 0.00 C ATOM 1201 O PRO B 28 104.877 48.407 50.159 1.00 0.00 O ATOM 1202 CB PRO B 28 102.869 46.564 48.297 1.00 0.00 C ATOM 1203 CG PRO B 28 102.633 46.861 46.851 1.00 0.00 C ATOM 1204 CD PRO B 28 101.765 48.091 46.795 1.00 0.00 C ATOM 0 HA PRO B 28 102.437 47.876 49.997 1.00 0.00 H new ATOM 0 HB2 PRO B 28 103.826 46.065 48.447 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.099 45.903 48.696 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.577 47.030 46.332 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.144 46.020 46.358 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.026 48.726 45.948 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.712 47.832 46.687 1.00 0.00 H new ATOM 1212 N ASP B 29 104.766 49.092 48.075 1.00 0.00 N ATOM 1213 CA ASP B 29 106.138 49.671 48.143 1.00 0.00 C ATOM 1214 C ASP B 29 106.123 51.127 47.670 1.00 0.00 C ATOM 1215 O ASP B 29 105.830 51.416 46.527 1.00 0.00 O ATOM 1216 CB ASP B 29 106.978 48.812 47.199 1.00 0.00 C ATOM 1217 CG ASP B 29 106.945 47.355 47.666 1.00 0.00 C ATOM 1218 OD1 ASP B 29 107.198 47.122 48.836 1.00 0.00 O ATOM 1219 OD2 ASP B 29 106.667 46.497 46.844 1.00 0.00 O ATOM 0 H ASP B 29 104.294 49.200 47.177 1.00 0.00 H new ATOM 0 HA ASP B 29 106.535 49.671 49.158 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.593 48.888 46.182 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.006 49.175 47.178 1.00 0.00 H new ATOM 1224 N LEU B 30 106.438 52.047 48.541 1.00 0.00 N ATOM 1225 CA LEU B 30 106.443 53.483 48.140 1.00 0.00 C ATOM 1226 C LEU B 30 107.669 53.781 47.275 1.00 0.00 C ATOM 1227 O LEU B 30 107.578 54.437 46.257 1.00 0.00 O ATOM 1228 CB LEU B 30 106.511 54.262 49.455 1.00 0.00 C ATOM 1229 CG LEU B 30 106.455 55.762 49.163 1.00 0.00 C ATOM 1230 CD1 LEU B 30 104.998 56.196 48.997 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.085 56.530 50.327 1.00 0.00 C ATOM 0 H LEU B 30 106.692 51.867 49.512 1.00 0.00 H new ATOM 0 HA LEU B 30 105.565 53.753 47.553 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.682 53.976 50.103 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.431 54.018 49.987 1.00 0.00 H new ATOM 0 HG LEU B 30 107.004 55.974 48.246 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.958 57.265 48.789 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.547 55.648 48.169 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.449 55.984 49.914 1.00 0.00 H new ATOM 0 HD21 LEU B 30 107.046 57.600 50.121 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.535 56.317 51.244 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.123 56.221 50.447 1.00 0.00 H new ATOM 1243 N VAL B 31 108.817 53.297 47.669 1.00 0.00 N ATOM 1244 CA VAL B 31 110.051 53.546 46.865 1.00 0.00 C ATOM 1245 C VAL B 31 109.800 53.181 45.402 1.00 0.00 C ATOM 1246 O VAL B 31 109.887 54.008 44.517 1.00 0.00 O ATOM 1247 CB VAL B 31 111.107 52.617 47.462 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.451 52.861 46.773 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.244 52.899 48.960 1.00 0.00 C ATOM 0 H VAL B 31 108.954 52.740 48.512 1.00 0.00 H new ATOM 0 HA VAL B 31 110.360 54.591 46.894 1.00 0.00 H new ATOM 0 HB VAL B 31 110.805 51.580 47.312 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.204 52.198 47.199 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.354 52.662 45.706 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.754 53.897 46.922 1.00 0.00 H new ATOM 0 HG21 VAL B 31 111.997 52.237 49.387 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.546 53.936 49.109 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.287 52.725 49.452 1.00 0.00 H new ATOM 1259 N ASP B 32 109.484 51.943 45.150 1.00 0.00 N ATOM 1260 CA ASP B 32 109.217 51.508 43.754 1.00 0.00 C ATOM 1261 C ASP B 32 108.066 52.328 43.165 1.00 0.00 C ATOM 1262 O ASP B 32 108.081 52.692 42.006 1.00 0.00 O ATOM 1263 CB ASP B 32 108.831 50.037 43.880 1.00 0.00 C ATOM 1264 CG ASP B 32 109.399 49.255 42.695 1.00 0.00 C ATOM 1265 OD1 ASP B 32 109.535 49.841 41.634 1.00 0.00 O ATOM 1266 OD2 ASP B 32 109.686 48.082 42.868 1.00 0.00 O ATOM 0 H ASP B 32 109.399 51.211 45.855 1.00 0.00 H new ATOM 0 HA ASP B 32 110.073 51.649 43.093 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.214 49.629 44.815 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.746 49.936 43.909 1.00 0.00 H new ATOM 1271 N PHE B 33 107.074 52.630 43.958 1.00 0.00 N ATOM 1272 CA PHE B 33 105.931 53.435 43.442 1.00 0.00 C ATOM 1273 C PHE B 33 106.426 54.818 43.018 1.00 0.00 C ATOM 1274 O PHE B 33 106.173 55.272 41.921 1.00 0.00 O ATOM 1275 CB PHE B 33 104.956 53.552 44.616 1.00 0.00 C ATOM 1276 CG PHE B 33 103.794 54.428 44.214 1.00 0.00 C ATOM 1277 CD1 PHE B 33 103.082 54.150 43.026 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.422 55.526 45.021 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.996 54.970 42.645 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.336 56.346 44.639 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.623 56.068 43.451 1.00 0.00 C ATOM 0 H PHE B 33 107.006 52.355 44.938 1.00 0.00 H new ATOM 0 HA PHE B 33 105.459 52.977 42.573 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.598 52.564 44.906 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.462 53.975 45.483 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.368 53.311 42.409 1.00 0.00 H new ATOM 0 HD2 PHE B 33 103.967 55.739 45.929 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.451 54.757 41.737 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.051 57.186 45.255 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.793 56.695 43.160 1.00 0.00 H new ATOM 1291 N ALA B 34 107.136 55.489 43.883 1.00 0.00 N ATOM 1292 CA ALA B 34 107.656 56.842 43.537 1.00 0.00 C ATOM 1293 C ALA B 34 108.425 56.785 42.214 1.00 0.00 C ATOM 1294 O ALA B 34 108.379 57.700 41.417 1.00 0.00 O ATOM 1295 CB ALA B 34 108.593 57.211 44.687 1.00 0.00 C ATOM 0 H ALA B 34 107.379 55.158 44.817 1.00 0.00 H new ATOM 0 HA ALA B 34 106.859 57.574 43.412 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.019 58.198 44.507 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.034 57.222 45.623 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.395 56.476 44.753 1.00 0.00 H new ATOM 1301 N VAL B 35 109.133 55.714 41.976 1.00 0.00 N ATOM 1302 CA VAL B 35 109.903 55.597 40.710 1.00 0.00 C ATOM 1303 C VAL B 35 108.953 55.322 39.541 1.00 0.00 C ATOM 1304 O VAL B 35 108.985 55.997 38.532 1.00 0.00 O ATOM 1305 CB VAL B 35 110.832 54.409 40.941 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.628 54.134 39.669 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.795 54.730 42.085 1.00 0.00 C ATOM 0 H VAL B 35 109.210 54.915 42.606 1.00 0.00 H new ATOM 0 HA VAL B 35 110.450 56.506 40.462 1.00 0.00 H new ATOM 0 HB VAL B 35 110.242 53.530 41.199 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.292 53.285 39.832 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.942 53.907 38.853 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.219 55.013 39.412 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.459 53.882 42.251 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.386 55.609 41.827 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.227 54.929 42.994 1.00 0.00 H new ATOM 1317 N GLU B 36 108.109 54.336 39.669 1.00 0.00 N ATOM 1318 CA GLU B 36 107.159 54.020 38.563 1.00 0.00 C ATOM 1319 C GLU B 36 106.253 55.221 38.279 1.00 0.00 C ATOM 1320 O GLU B 36 105.803 55.421 37.169 1.00 0.00 O ATOM 1321 CB GLU B 36 106.336 52.836 39.076 1.00 0.00 C ATOM 1322 CG GLU B 36 107.264 51.654 39.366 1.00 0.00 C ATOM 1323 CD GLU B 36 107.054 50.567 38.309 1.00 0.00 C ATOM 1324 OE1 GLU B 36 107.550 50.737 37.207 1.00 0.00 O ATOM 1325 OE2 GLU B 36 106.402 49.585 38.619 1.00 0.00 O ATOM 0 H GLU B 36 108.035 53.735 40.490 1.00 0.00 H new ATOM 0 HA GLU B 36 107.674 53.787 37.631 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.797 53.119 39.980 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.588 52.552 38.336 1.00 0.00 H new ATOM 0 HG2 GLU B 36 108.303 51.984 39.362 1.00 0.00 H new ATOM 0 HG3 GLU B 36 107.061 51.254 40.359 1.00 0.00 H new ATOM 1332 N TYR B 37 105.982 56.023 39.273 1.00 0.00 N ATOM 1333 CA TYR B 37 105.105 57.209 39.056 1.00 0.00 C ATOM 1334 C TYR B 37 105.894 58.336 38.385 1.00 0.00 C ATOM 1335 O TYR B 37 105.645 58.690 37.249 1.00 0.00 O ATOM 1336 CB TYR B 37 104.653 57.631 40.454 1.00 0.00 C ATOM 1337 CG TYR B 37 103.692 58.791 40.344 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.318 58.551 40.121 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.168 60.116 40.466 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.419 59.637 40.019 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.270 61.201 40.365 1.00 0.00 C ATOM 1342 CZ TYR B 37 101.895 60.962 40.141 1.00 0.00 C ATOM 1343 OH TYR B 37 101.016 62.023 40.041 1.00 0.00 O ATOM 0 H TYR B 37 106.330 55.908 40.225 1.00 0.00 H new ATOM 0 HA TYR B 37 104.260 56.982 38.406 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.173 56.794 40.961 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.516 57.916 41.056 1.00 0.00 H new ATOM 0 HD1 TYR B 37 101.955 57.538 40.028 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.219 60.299 40.636 1.00 0.00 H new ATOM 0 HE1 TYR B 37 100.368 59.454 39.848 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.634 62.214 40.459 1.00 0.00 H new ATOM 0 HH TYR B 37 101.506 62.865 40.149 1.00 0.00 H new ATOM 1353 N PHE B 38 106.846 58.902 39.077 1.00 0.00 N ATOM 1354 CA PHE B 38 107.650 60.006 38.478 1.00 0.00 C ATOM 1355 C PHE B 38 108.204 59.580 37.115 1.00 0.00 C ATOM 1356 O PHE B 38 108.154 60.323 36.154 1.00 0.00 O ATOM 1357 CB PHE B 38 108.786 60.251 39.470 1.00 0.00 C ATOM 1358 CG PHE B 38 108.269 61.052 40.641 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.578 62.264 40.417 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.475 60.590 41.960 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.094 63.014 41.513 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.992 61.339 43.056 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.301 62.552 42.832 1.00 0.00 C ATOM 0 H PHE B 38 107.102 58.648 40.031 1.00 0.00 H new ATOM 0 HA PHE B 38 107.057 60.905 38.309 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.191 59.300 39.817 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.601 60.786 38.981 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.420 62.617 39.409 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.002 59.663 42.131 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.566 63.940 41.342 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.150 60.985 44.064 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.931 63.125 43.669 1.00 0.00 H new ATOM 1373 N THR B 39 108.726 58.386 37.020 1.00 0.00 N ATOM 1374 CA THR B 39 109.275 57.916 35.715 1.00 0.00 C ATOM 1375 C THR B 39 108.205 58.047 34.627 1.00 0.00 C ATOM 1376 O THR B 39 108.469 58.511 33.536 1.00 0.00 O ATOM 1377 CB THR B 39 109.645 56.448 35.943 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.715 56.372 36.875 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.077 55.812 34.619 1.00 0.00 C ATOM 0 H THR B 39 108.796 57.718 37.787 1.00 0.00 H new ATOM 0 HA THR B 39 110.136 58.499 35.388 1.00 0.00 H new ATOM 0 HB THR B 39 108.779 55.913 36.333 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.378 56.561 37.776 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.339 54.767 34.786 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.257 55.870 33.903 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.942 56.345 34.225 1.00 0.00 H new ATOM 1387 N ARG B 40 106.997 57.647 34.920 1.00 0.00 N ATOM 1388 CA ARG B 40 105.911 57.756 33.904 1.00 0.00 C ATOM 1389 C ARG B 40 105.520 59.225 33.717 1.00 0.00 C ATOM 1390 O ARG B 40 105.051 59.624 32.669 1.00 0.00 O ATOM 1391 CB ARG B 40 104.742 56.960 34.485 1.00 0.00 C ATOM 1392 CG ARG B 40 104.847 55.499 34.043 1.00 0.00 C ATOM 1393 CD ARG B 40 103.447 54.952 33.756 1.00 0.00 C ATOM 1394 NE ARG B 40 103.476 53.545 34.242 1.00 0.00 N ATOM 1395 CZ ARG B 40 103.366 52.559 33.394 1.00 0.00 C ATOM 1396 NH1 ARG B 40 102.201 52.260 32.888 1.00 0.00 N ATOM 1397 NH2 ARG B 40 104.422 51.872 33.050 1.00 0.00 N ATOM 0 H ARG B 40 106.716 57.250 35.817 1.00 0.00 H new ATOM 0 HA ARG B 40 106.214 57.376 32.928 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.751 57.023 35.573 1.00 0.00 H new ATOM 0 HB3 ARG B 40 103.796 57.385 34.149 1.00 0.00 H new ATOM 0 HG2 ARG B 40 105.469 55.421 33.152 1.00 0.00 H new ATOM 0 HG3 ARG B 40 105.329 54.906 34.821 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.683 55.532 34.273 1.00 0.00 H new ATOM 0 HD3 ARG B 40 103.216 54.997 32.692 1.00 0.00 H new ATOM 0 HE ARG B 40 103.582 53.352 35.238 1.00 0.00 H new ATOM 0 HH11 ARG B 40 101.376 52.797 33.155 1.00 0.00 H new ATOM 0 HH12 ARG B 40 102.115 51.489 32.225 1.00 0.00 H new ATOM 0 HH21 ARG B 40 105.333 52.106 33.444 1.00 0.00 H new ATOM 0 HH22 ARG B 40 104.336 51.101 32.387 1.00 0.00 H new ATOM 1411 N LEU B 41 105.715 60.029 34.726 1.00 0.00 N ATOM 1412 CA LEU B 41 105.360 61.473 34.610 1.00 0.00 C ATOM 1413 C LEU B 41 106.214 62.138 33.526 1.00 0.00 C ATOM 1414 O LEU B 41 105.829 63.129 32.938 1.00 0.00 O ATOM 1415 CB LEU B 41 105.678 62.069 35.982 1.00 0.00 C ATOM 1416 CG LEU B 41 104.859 63.344 36.190 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.405 62.976 36.487 1.00 0.00 C ATOM 1418 CD2 LEU B 41 105.435 64.132 37.369 1.00 0.00 C ATOM 0 H LEU B 41 106.105 59.749 35.626 1.00 0.00 H new ATOM 0 HA LEU B 41 104.317 61.623 34.332 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.450 61.346 36.765 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.742 62.292 36.055 1.00 0.00 H new ATOM 0 HG LEU B 41 104.902 63.953 35.287 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.822 63.885 36.635 1.00 0.00 H new ATOM 0 HD12 LEU B 41 102.993 62.414 35.649 1.00 0.00 H new ATOM 0 HD13 LEU B 41 103.361 62.366 37.389 1.00 0.00 H new ATOM 0 HD21 LEU B 41 104.852 65.041 37.518 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.392 63.521 38.271 1.00 0.00 H new ATOM 0 HD23 LEU B 41 106.471 64.396 37.159 1.00 0.00 H new ATOM 1430 N ARG B 42 107.370 61.596 33.256 1.00 0.00 N ATOM 1431 CA ARG B 42 108.249 62.186 32.217 1.00 0.00 C ATOM 1432 C ARG B 42 107.697 61.858 30.824 1.00 0.00 C ATOM 1433 O ARG B 42 107.917 62.580 29.872 1.00 0.00 O ATOM 1434 CB ARG B 42 109.605 61.513 32.451 1.00 0.00 C ATOM 1435 CG ARG B 42 110.545 61.825 31.291 1.00 0.00 C ATOM 1436 CD ARG B 42 111.860 62.391 31.833 1.00 0.00 C ATOM 1437 NE ARG B 42 112.401 63.232 30.731 1.00 0.00 N ATOM 1438 CZ ARG B 42 113.323 64.121 30.982 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.023 65.202 31.649 1.00 0.00 N ATOM 1440 NH2 ARG B 42 114.545 63.929 30.568 1.00 0.00 N ATOM 0 H ARG B 42 107.742 60.765 33.715 1.00 0.00 H new ATOM 0 HA ARG B 42 108.318 63.272 32.274 1.00 0.00 H new ATOM 0 HB2 ARG B 42 110.039 61.865 33.387 1.00 0.00 H new ATOM 0 HB3 ARG B 42 109.475 60.435 32.545 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.737 60.921 30.713 1.00 0.00 H new ATOM 0 HG3 ARG B 42 110.080 62.543 30.616 1.00 0.00 H new ATOM 0 HD2 ARG B 42 111.694 62.981 32.734 1.00 0.00 H new ATOM 0 HD3 ARG B 42 112.554 61.593 32.098 1.00 0.00 H new ATOM 0 HE ARG B 42 112.051 63.114 29.780 1.00 0.00 H new ATOM 0 HH11 ARG B 42 112.068 65.352 31.974 1.00 0.00 H new ATOM 0 HH12 ARG B 42 113.744 65.897 31.845 1.00 0.00 H new ATOM 0 HH21 ARG B 42 114.780 63.084 30.048 1.00 0.00 H new ATOM 0 HH22 ARG B 42 115.265 64.624 30.764 1.00 0.00 H new ATOM 1454 N GLU B 43 106.978 60.776 30.703 1.00 0.00 N ATOM 1455 CA GLU B 43 106.409 60.403 29.376 1.00 0.00 C ATOM 1456 C GLU B 43 104.910 60.725 29.326 1.00 0.00 C ATOM 1457 O GLU B 43 104.202 60.284 28.443 1.00 0.00 O ATOM 1458 CB GLU B 43 106.637 58.896 29.259 1.00 0.00 C ATOM 1459 CG GLU B 43 107.941 58.635 28.502 1.00 0.00 C ATOM 1460 CD GLU B 43 107.891 57.248 27.859 1.00 0.00 C ATOM 1461 OE1 GLU B 43 107.016 57.030 27.036 1.00 0.00 O ATOM 1462 OE2 GLU B 43 108.727 56.428 28.199 1.00 0.00 O ATOM 0 H GLU B 43 106.760 60.134 31.465 1.00 0.00 H new ATOM 0 HA GLU B 43 106.876 60.953 28.559 1.00 0.00 H new ATOM 0 HB2 GLU B 43 106.683 58.446 30.251 1.00 0.00 H new ATOM 0 HB3 GLU B 43 105.801 58.430 28.737 1.00 0.00 H new ATOM 0 HG2 GLU B 43 108.088 59.397 27.736 1.00 0.00 H new ATOM 0 HG3 GLU B 43 108.789 58.701 29.184 1.00 0.00 H new ATOM 1469 N ALA B 44 104.422 61.491 30.264 1.00 0.00 N ATOM 1470 CA ALA B 44 102.971 61.839 30.263 1.00 0.00 C ATOM 1471 C ALA B 44 102.762 63.231 29.675 1.00 0.00 C ATOM 1472 O ALA B 44 102.217 63.391 28.602 1.00 0.00 O ATOM 1473 CB ALA B 44 102.557 61.837 31.732 1.00 0.00 C ATOM 0 H ALA B 44 104.964 61.891 31.030 1.00 0.00 H new ATOM 0 HA ALA B 44 102.388 61.138 29.666 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.499 62.085 31.812 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.731 60.849 32.158 1.00 0.00 H new ATOM 0 HB3 ALA B 44 103.145 62.576 32.277 1.00 0.00 H new ATOM 1479 N ARG B 45 103.186 64.242 30.384 1.00 0.00 N ATOM 1480 CA ARG B 45 103.008 65.636 29.886 1.00 0.00 C ATOM 1481 C ARG B 45 103.470 65.747 28.431 1.00 0.00 C ATOM 1482 O ARG B 45 102.732 66.171 27.563 1.00 0.00 O ATOM 1483 CB ARG B 45 103.890 66.495 30.793 1.00 0.00 C ATOM 1484 CG ARG B 45 103.016 67.228 31.812 1.00 0.00 C ATOM 1485 CD ARG B 45 102.188 68.298 31.098 1.00 0.00 C ATOM 1486 NE ARG B 45 102.058 69.406 32.085 1.00 0.00 N ATOM 1487 CZ ARG B 45 100.985 70.149 32.094 1.00 0.00 C ATOM 1488 NH1 ARG B 45 99.900 69.719 32.678 1.00 0.00 N ATOM 1489 NH2 ARG B 45 100.998 71.320 31.520 1.00 0.00 N ATOM 0 H ARG B 45 103.649 64.162 31.289 1.00 0.00 H new ATOM 0 HA ARG B 45 101.965 65.950 29.911 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.619 65.869 31.307 1.00 0.00 H new ATOM 0 HB3 ARG B 45 104.452 67.214 30.196 1.00 0.00 H new ATOM 0 HG2 ARG B 45 102.358 66.521 32.318 1.00 0.00 H new ATOM 0 HG3 ARG B 45 103.640 67.687 32.579 1.00 0.00 H new ATOM 0 HD2 ARG B 45 102.682 68.637 30.187 1.00 0.00 H new ATOM 0 HD3 ARG B 45 101.211 67.912 30.807 1.00 0.00 H new ATOM 0 HE ARG B 45 102.807 69.584 32.754 1.00 0.00 H new ATOM 0 HH11 ARG B 45 99.891 68.803 33.127 1.00 0.00 H new ATOM 0 HH12 ARG B 45 99.061 70.299 32.686 1.00 0.00 H new ATOM 0 HH21 ARG B 45 101.847 71.655 31.064 1.00 0.00 H new ATOM 0 HH22 ARG B 45 100.159 71.901 31.527 1.00 0.00 H new ATOM 1503 N ARG B 46 104.685 65.365 28.163 1.00 0.00 N ATOM 1504 CA ARG B 46 105.205 65.440 26.767 1.00 0.00 C ATOM 1505 C ARG B 46 104.400 64.510 25.856 1.00 0.00 C ATOM 1506 O ARG B 46 104.649 63.316 25.893 1.00 0.00 O ATOM 1507 CB ARG B 46 106.657 64.971 26.865 1.00 0.00 C ATOM 1508 CG ARG B 46 107.462 65.559 25.705 1.00 0.00 C ATOM 1509 CD ARG B 46 108.910 65.782 26.150 1.00 0.00 C ATOM 1510 NE ARG B 46 109.734 65.458 24.952 1.00 0.00 N ATOM 1511 CZ ARG B 46 109.758 66.278 23.938 1.00 0.00 C ATOM 1512 NH1 ARG B 46 110.424 67.398 24.019 1.00 0.00 N ATOM 1513 NH2 ARG B 46 109.116 65.979 22.841 1.00 0.00 N ATOM 1514 OXT ARG B 46 103.550 65.007 25.137 1.00 0.00 O ATOM 0 H ARG B 46 105.345 65.002 28.851 1.00 0.00 H new ATOM 0 HA ARG B 46 105.127 66.442 26.346 1.00 0.00 H new ATOM 0 HB2 ARG B 46 107.088 65.284 27.816 1.00 0.00 H new ATOM 0 HB3 ARG B 46 106.701 63.882 26.837 1.00 0.00 H new ATOM 0 HG2 ARG B 46 107.433 64.884 24.849 1.00 0.00 H new ATOM 0 HG3 ARG B 46 107.020 66.502 25.383 1.00 0.00 H new ATOM 0 HD2 ARG B 46 109.070 66.811 26.473 1.00 0.00 H new ATOM 0 HD3 ARG B 46 109.168 65.140 26.992 1.00 0.00 H new ATOM 0 HE ARG B 46 110.279 64.596 24.925 1.00 0.00 H new ATOM 0 HH11 ARG B 46 110.926 67.632 24.876 1.00 0.00 H new ATOM 0 HH12 ARG B 46 110.442 68.039 23.226 1.00 0.00 H new ATOM 0 HH21 ARG B 46 108.596 65.104 22.777 1.00 0.00 H new ATOM 0 HH22 ARG B 46 109.135 66.620 22.048 1.00 0.00 H new TER 1528 ARG B 46