USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 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= -0.114 X(o=-0.11,f=-0.1) USER MOD Single : A 1 HIS N :NH3+ -164:sc= 0 (180deg=-0.209) USER MOD Single : A 2 MET CE :methyl -126:sc= -0.885 (180deg=-2.17!) USER MOD Single : A 4 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-1.7) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 16 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 18 TYR OH : rot -27:sc= -3.1! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.352 K(o=-0.35,f=-2.2) USER MOD Single : A 26 GLN : amide:sc= -0.0178 X(o=-0.018,f=-0.25) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 94:sc= -1.19! USER MOD Single : B 1 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : B 1 HIS N :NH3+ -164:sc= 0 (180deg=-0.195) USER MOD Single : B 2 MET CE :methyl -121:sc= -0.808 (180deg=-2.15!) USER MOD Single : B 4 HIS : no HD1:sc= -0.544 K(o=-0.54,f=-1.8) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0151 USER MOD Single : B 16 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : B 18 TYR OH : rot -26:sc= -3.07! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -0.367 K(o=-0.37,f=-2.1) USER MOD Single : B 26 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.31) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 127:sc= -1.39! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 88.437 67.967 67.994 1.00 0.00 N ATOM 2 CA HIS A 1 88.933 66.932 68.946 1.00 0.00 C ATOM 3 C HIS A 1 89.267 65.639 68.197 1.00 0.00 C ATOM 4 O HIS A 1 90.361 65.120 68.293 1.00 0.00 O ATOM 5 CB HIS A 1 87.778 66.704 69.921 1.00 0.00 C ATOM 6 CG HIS A 1 87.571 67.938 70.755 1.00 0.00 C ATOM 7 ND1 HIS A 1 86.319 68.327 71.202 1.00 0.00 N ATOM 8 CD2 HIS A 1 88.450 68.880 71.233 1.00 0.00 C ATOM 9 CE1 HIS A 1 86.475 69.458 71.915 1.00 0.00 C ATOM 10 NE2 HIS A 1 87.755 69.839 71.965 1.00 0.00 N ATOM 0 H1 HIS A 1 88.471 68.902 68.449 1.00 0.00 H new ATOM 0 H2 HIS A 1 89.037 67.973 67.144 1.00 0.00 H new ATOM 0 H3 HIS A 1 87.457 67.749 67.724 1.00 0.00 H new ATOM 0 HA HIS A 1 89.843 67.245 69.458 1.00 0.00 H new ATOM 0 HB2 HIS A 1 86.867 66.467 69.372 1.00 0.00 H new ATOM 0 HB3 HIS A 1 87.994 65.851 70.564 1.00 0.00 H new ATOM 0 HD2 HIS A 1 89.517 68.877 71.066 1.00 0.00 H new ATOM 0 HE1 HIS A 1 85.665 69.992 72.389 1.00 0.00 H new ATOM 0 HE2 HIS A 1 88.140 70.657 72.438 1.00 0.00 H new ATOM 20 N MET A 2 88.331 65.117 67.452 1.00 0.00 N ATOM 21 CA MET A 2 88.596 63.858 66.697 1.00 0.00 C ATOM 22 C MET A 2 88.520 64.120 65.191 1.00 0.00 C ATOM 23 O MET A 2 87.638 64.807 64.714 1.00 0.00 O ATOM 24 CB MET A 2 87.489 62.897 67.132 1.00 0.00 C ATOM 25 CG MET A 2 87.916 62.167 68.406 1.00 0.00 C ATOM 26 SD MET A 2 89.098 60.861 67.988 1.00 0.00 S ATOM 27 CE MET A 2 90.585 61.697 68.590 1.00 0.00 C ATOM 0 H MET A 2 87.396 65.507 67.333 1.00 0.00 H new ATOM 0 HA MET A 2 89.588 63.455 66.899 1.00 0.00 H new ATOM 0 HB2 MET A 2 86.564 63.447 67.308 1.00 0.00 H new ATOM 0 HB3 MET A 2 87.286 62.177 66.339 1.00 0.00 H new ATOM 0 HG2 MET A 2 88.367 62.870 69.106 1.00 0.00 H new ATOM 0 HG3 MET A 2 87.045 61.738 68.901 1.00 0.00 H new ATOM 0 HE1 MET A 2 91.330 61.732 67.795 1.00 0.00 H new ATOM 0 HE2 MET A 2 90.333 62.712 68.896 1.00 0.00 H new ATOM 0 HE3 MET A 2 90.989 61.151 69.443 1.00 0.00 H new ATOM 37 N GLY A 3 89.438 63.578 64.438 1.00 0.00 N ATOM 38 CA GLY A 3 89.417 63.796 62.964 1.00 0.00 C ATOM 39 C GLY A 3 89.400 62.446 62.246 1.00 0.00 C ATOM 40 O GLY A 3 89.233 61.409 62.857 1.00 0.00 O ATOM 0 H GLY A 3 90.201 62.994 64.780 1.00 0.00 H new ATOM 0 HA2 GLY A 3 88.539 64.379 62.685 1.00 0.00 H new ATOM 0 HA3 GLY A 3 90.291 64.371 62.659 1.00 0.00 H new ATOM 44 N HIS A 4 89.570 62.448 60.952 1.00 0.00 N ATOM 45 CA HIS A 4 89.562 61.162 60.196 1.00 0.00 C ATOM 46 C HIS A 4 90.793 61.076 59.289 1.00 0.00 C ATOM 47 O HIS A 4 90.746 60.507 58.217 1.00 0.00 O ATOM 48 CB HIS A 4 88.283 61.203 59.362 1.00 0.00 C ATOM 49 CG HIS A 4 87.092 61.311 60.274 1.00 0.00 C ATOM 50 ND1 HIS A 4 86.664 62.524 60.791 1.00 0.00 N ATOM 51 CD2 HIS A 4 86.228 60.366 60.771 1.00 0.00 C ATOM 52 CE1 HIS A 4 85.586 62.280 61.559 1.00 0.00 C ATOM 53 NE2 HIS A 4 85.278 60.980 61.582 1.00 0.00 N ATOM 0 H HIS A 4 89.714 63.284 60.385 1.00 0.00 H new ATOM 0 HA HIS A 4 89.591 60.294 60.854 1.00 0.00 H new ATOM 0 HB2 HIS A 4 88.309 62.052 58.679 1.00 0.00 H new ATOM 0 HB3 HIS A 4 88.206 60.304 58.751 1.00 0.00 H new ATOM 0 HD2 HIS A 4 86.278 59.307 60.564 1.00 0.00 H new ATOM 0 HE1 HIS A 4 85.037 63.042 62.092 1.00 0.00 H new ATOM 0 HE2 HIS A 4 84.512 60.534 62.086 1.00 0.00 H new ATOM 61 N ILE A 5 91.891 61.640 59.709 1.00 0.00 N ATOM 62 CA ILE A 5 93.124 61.592 58.871 1.00 0.00 C ATOM 63 C ILE A 5 94.133 60.607 59.468 1.00 0.00 C ATOM 64 O ILE A 5 94.482 60.689 60.629 1.00 0.00 O ATOM 65 CB ILE A 5 93.678 63.016 58.907 1.00 0.00 C ATOM 66 CG1 ILE A 5 92.643 63.981 58.322 1.00 0.00 C ATOM 67 CG2 ILE A 5 94.965 63.086 58.084 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.321 63.581 56.879 1.00 0.00 C ATOM 0 H ILE A 5 91.989 62.133 60.597 1.00 0.00 H new ATOM 0 HA ILE A 5 92.921 61.258 57.854 1.00 0.00 H new ATOM 0 HB ILE A 5 93.893 63.295 59.938 1.00 0.00 H new ATOM 0 HG12 ILE A 5 91.735 63.965 58.925 1.00 0.00 H new ATOM 0 HG13 ILE A 5 93.026 65.001 58.350 1.00 0.00 H new ATOM 0 HG21 ILE A 5 95.359 64.102 58.110 1.00 0.00 H new ATOM 0 HG22 ILE A 5 95.702 62.400 58.502 1.00 0.00 H new ATOM 0 HG23 ILE A 5 94.753 62.806 57.052 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.584 64.270 56.466 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.230 63.620 56.279 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.919 62.568 56.863 1.00 0.00 H new ATOM 80 N GLN A 6 94.605 59.677 58.683 1.00 0.00 N ATOM 81 CA GLN A 6 95.591 58.689 59.207 1.00 0.00 C ATOM 82 C GLN A 6 96.915 58.809 58.447 1.00 0.00 C ATOM 83 O GLN A 6 97.017 58.440 57.294 1.00 0.00 O ATOM 84 CB GLN A 6 94.953 57.321 58.959 1.00 0.00 C ATOM 85 CG GLN A 6 93.706 57.172 59.831 1.00 0.00 C ATOM 86 CD GLN A 6 93.291 55.700 59.880 1.00 0.00 C ATOM 87 OE1 GLN A 6 93.026 55.098 58.858 1.00 0.00 O ATOM 88 NE2 GLN A 6 93.225 55.090 61.032 1.00 0.00 N ATOM 0 H GLN A 6 94.351 59.559 57.702 1.00 0.00 H new ATOM 0 HA GLN A 6 95.814 58.849 60.262 1.00 0.00 H new ATOM 0 HB2 GLN A 6 94.688 57.217 57.907 1.00 0.00 H new ATOM 0 HB3 GLN A 6 95.666 56.529 59.188 1.00 0.00 H new ATOM 0 HG2 GLN A 6 93.907 57.538 60.838 1.00 0.00 H new ATOM 0 HG3 GLN A 6 92.893 57.777 59.429 1.00 0.00 H new ATOM 0 HE21 GLN A 6 93.447 55.595 61.890 1.00 0.00 H new ATOM 0 HE22 GLN A 6 92.951 54.108 61.074 1.00 0.00 H new ATOM 97 N ILE A 7 97.932 59.323 59.086 1.00 0.00 N ATOM 98 CA ILE A 7 99.249 59.467 58.399 1.00 0.00 C ATOM 99 C ILE A 7 100.275 58.504 59.015 1.00 0.00 C ATOM 100 O ILE A 7 100.629 58.642 60.169 1.00 0.00 O ATOM 101 CB ILE A 7 99.664 60.918 58.648 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.588 61.858 58.098 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.993 61.197 57.944 1.00 0.00 C ATOM 104 CD1 ILE A 7 98.410 61.611 56.599 1.00 0.00 C ATOM 0 H ILE A 7 97.908 59.649 60.052 1.00 0.00 H new ATOM 0 HA ILE A 7 99.190 59.233 57.336 1.00 0.00 H new ATOM 0 HB ILE A 7 99.779 61.084 59.719 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.645 61.692 58.619 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.872 62.895 58.275 1.00 0.00 H new ATOM 0 HG21 ILE A 7 101.289 62.231 58.121 1.00 0.00 H new ATOM 0 HG22 ILE A 7 101.760 60.528 58.335 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.879 61.031 56.873 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.644 62.281 56.208 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.353 61.799 56.085 1.00 0.00 H new ATOM 0 HD13 ILE A 7 98.107 60.577 56.434 1.00 0.00 H new ATOM 116 N PRO A 8 100.726 57.554 58.228 1.00 0.00 N ATOM 117 CA PRO A 8 101.719 56.570 58.726 1.00 0.00 C ATOM 118 C PRO A 8 103.095 57.234 58.891 1.00 0.00 C ATOM 119 O PRO A 8 103.514 57.996 58.044 1.00 0.00 O ATOM 120 CB PRO A 8 101.759 55.510 57.632 1.00 0.00 C ATOM 121 CG PRO A 8 101.313 56.219 56.396 1.00 0.00 C ATOM 122 CD PRO A 8 100.362 57.303 56.828 1.00 0.00 C ATOM 0 HA PRO A 8 101.459 56.158 59.701 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.763 55.102 57.513 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.101 54.674 57.867 1.00 0.00 H new ATOM 0 HG2 PRO A 8 102.166 56.643 55.866 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.823 55.527 55.710 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.475 58.200 56.219 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.324 56.984 56.736 1.00 0.00 H new ATOM 130 N PRO A 9 103.758 56.924 59.980 1.00 0.00 N ATOM 131 CA PRO A 9 105.097 57.508 60.238 1.00 0.00 C ATOM 132 C PRO A 9 106.153 56.840 59.354 1.00 0.00 C ATOM 133 O PRO A 9 106.028 55.689 58.984 1.00 0.00 O ATOM 134 CB PRO A 9 105.349 57.194 61.709 1.00 0.00 C ATOM 135 CG PRO A 9 104.511 55.990 62.003 1.00 0.00 C ATOM 136 CD PRO A 9 103.336 56.018 61.059 1.00 0.00 C ATOM 0 HA PRO A 9 105.146 58.575 60.019 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.404 56.994 61.894 1.00 0.00 H new ATOM 0 HB3 PRO A 9 105.068 58.034 62.345 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.090 55.077 61.868 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.172 56.002 63.039 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.109 55.023 60.677 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.436 56.382 61.555 1.00 0.00 H new ATOM 144 N GLY A 10 107.194 57.550 59.015 1.00 0.00 N ATOM 145 CA GLY A 10 108.258 56.952 58.158 1.00 0.00 C ATOM 146 C GLY A 10 108.306 57.677 56.813 1.00 0.00 C ATOM 147 O GLY A 10 109.334 57.737 56.167 1.00 0.00 O ATOM 0 H GLY A 10 107.354 58.518 59.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.224 57.027 58.657 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.060 55.891 58.003 1.00 0.00 H new ATOM 151 N LEU A 11 107.203 58.226 56.382 1.00 0.00 N ATOM 152 CA LEU A 11 107.190 58.943 55.076 1.00 0.00 C ATOM 153 C LEU A 11 107.693 60.379 55.253 1.00 0.00 C ATOM 154 O LEU A 11 108.204 60.986 54.333 1.00 0.00 O ATOM 155 CB LEU A 11 105.725 58.939 54.635 1.00 0.00 C ATOM 156 CG LEU A 11 105.549 57.993 53.446 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.666 56.813 53.858 1.00 0.00 C ATOM 158 CD2 LEU A 11 104.886 58.747 52.291 1.00 0.00 C ATOM 0 H LEU A 11 106.312 58.209 56.877 1.00 0.00 H new ATOM 0 HA LEU A 11 107.839 58.469 54.340 1.00 0.00 H new ATOM 0 HB2 LEU A 11 105.087 58.624 55.461 1.00 0.00 H new ATOM 0 HB3 LEU A 11 105.415 59.947 54.360 1.00 0.00 H new ATOM 0 HG LEU A 11 106.524 57.623 53.128 1.00 0.00 H new ATOM 0 HD11 LEU A 11 104.541 56.139 53.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 105.137 56.277 54.682 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.691 57.182 54.176 1.00 0.00 H new ATOM 0 HD21 LEU A 11 104.760 58.075 51.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 103.911 59.116 52.610 1.00 0.00 H new ATOM 0 HD23 LEU A 11 105.514 59.588 51.997 1.00 0.00 H new ATOM 170 N THR A 12 107.551 60.927 56.429 1.00 0.00 N ATOM 171 CA THR A 12 108.020 62.323 56.662 1.00 0.00 C ATOM 172 C THR A 12 109.485 62.468 56.245 1.00 0.00 C ATOM 173 O THR A 12 109.829 63.299 55.429 1.00 0.00 O ATOM 174 CB THR A 12 107.864 62.545 58.167 1.00 0.00 C ATOM 175 OG1 THR A 12 106.529 62.248 58.552 1.00 0.00 O ATOM 176 CG2 THR A 12 108.183 64.003 58.506 1.00 0.00 C ATOM 0 H THR A 12 107.131 60.469 57.238 1.00 0.00 H new ATOM 0 HA THR A 12 107.454 63.051 56.081 1.00 0.00 H new ATOM 0 HB THR A 12 108.551 61.891 58.704 1.00 0.00 H new ATOM 0 HG1 THR A 12 106.428 62.388 59.517 1.00 0.00 H new ATOM 0 HG21 THR A 12 108.071 64.160 59.579 1.00 0.00 H new ATOM 0 HG22 THR A 12 109.208 64.229 58.211 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.498 64.660 57.970 1.00 0.00 H new ATOM 184 N GLU A 13 110.348 61.665 56.802 1.00 0.00 N ATOM 185 CA GLU A 13 111.793 61.755 56.442 1.00 0.00 C ATOM 186 C GLU A 13 111.970 61.686 54.923 1.00 0.00 C ATOM 187 O GLU A 13 112.641 62.506 54.329 1.00 0.00 O ATOM 188 CB GLU A 13 112.445 60.543 57.111 1.00 0.00 C ATOM 189 CG GLU A 13 113.878 60.893 57.517 1.00 0.00 C ATOM 190 CD GLU A 13 114.626 59.616 57.902 1.00 0.00 C ATOM 191 OE1 GLU A 13 114.220 58.981 58.862 1.00 0.00 O ATOM 192 OE2 GLU A 13 115.594 59.293 57.232 1.00 0.00 O ATOM 0 H GLU A 13 110.116 60.950 57.491 1.00 0.00 H new ATOM 0 HA GLU A 13 112.239 62.694 56.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.870 60.245 57.988 1.00 0.00 H new ATOM 0 HB3 GLU A 13 112.447 59.694 56.427 1.00 0.00 H new ATOM 0 HG2 GLU A 13 114.389 61.392 56.694 1.00 0.00 H new ATOM 0 HG3 GLU A 13 113.870 61.589 58.356 1.00 0.00 H new ATOM 199 N LEU A 14 111.372 60.714 54.290 1.00 0.00 N ATOM 200 CA LEU A 14 111.507 60.592 52.809 1.00 0.00 C ATOM 201 C LEU A 14 111.135 61.913 52.130 1.00 0.00 C ATOM 202 O LEU A 14 111.890 62.453 51.345 1.00 0.00 O ATOM 203 CB LEU A 14 110.524 59.492 52.412 1.00 0.00 C ATOM 204 CG LEU A 14 111.284 58.184 52.187 1.00 0.00 C ATOM 205 CD1 LEU A 14 111.526 57.497 53.533 1.00 0.00 C ATOM 206 CD2 LEU A 14 110.457 57.262 51.287 1.00 0.00 C ATOM 0 H LEU A 14 110.796 59.999 54.733 1.00 0.00 H new ATOM 0 HA LEU A 14 112.528 60.357 52.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.775 59.360 53.193 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.991 59.776 51.504 1.00 0.00 H new ATOM 0 HG LEU A 14 112.240 58.397 51.710 1.00 0.00 H new ATOM 0 HD11 LEU A 14 112.068 56.565 53.373 1.00 0.00 H new ATOM 0 HD12 LEU A 14 112.114 58.153 54.176 1.00 0.00 H new ATOM 0 HD13 LEU A 14 110.569 57.284 54.010 1.00 0.00 H new ATOM 0 HD21 LEU A 14 110.998 56.330 51.126 1.00 0.00 H new ATOM 0 HD22 LEU A 14 109.501 57.049 51.765 1.00 0.00 H new ATOM 0 HD23 LEU A 14 110.283 57.750 50.328 1.00 0.00 H new ATOM 218 N LEU A 15 109.975 62.435 52.420 1.00 0.00 N ATOM 219 CA LEU A 15 109.555 63.717 51.786 1.00 0.00 C ATOM 220 C LEU A 15 110.465 64.861 52.240 1.00 0.00 C ATOM 221 O LEU A 15 111.006 65.590 51.434 1.00 0.00 O ATOM 222 CB LEU A 15 108.119 63.943 52.264 1.00 0.00 C ATOM 223 CG LEU A 15 107.147 63.231 51.319 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.270 63.827 49.916 1.00 0.00 C ATOM 225 CD2 LEU A 15 107.481 61.738 51.268 1.00 0.00 C ATOM 0 H LEU A 15 109.300 62.030 53.068 1.00 0.00 H new ATOM 0 HA LEU A 15 109.620 63.680 50.699 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.999 63.564 53.279 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.898 65.010 52.293 1.00 0.00 H new ATOM 0 HG LEU A 15 106.128 63.363 51.683 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.578 63.320 49.243 1.00 0.00 H new ATOM 0 HD12 LEU A 15 107.030 64.890 49.950 1.00 0.00 H new ATOM 0 HD13 LEU A 15 108.290 63.697 49.553 1.00 0.00 H new ATOM 0 HD21 LEU A 15 106.788 61.233 50.595 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.500 61.605 50.906 1.00 0.00 H new ATOM 0 HD23 LEU A 15 107.393 61.311 52.267 1.00 0.00 H new ATOM 237 N GLN A 16 110.644 65.025 53.524 1.00 0.00 N ATOM 238 CA GLN A 16 111.526 66.122 54.017 1.00 0.00 C ATOM 239 C GLN A 16 112.890 66.043 53.328 1.00 0.00 C ATOM 240 O GLN A 16 113.526 67.045 53.068 1.00 0.00 O ATOM 241 CB GLN A 16 111.667 65.879 55.520 1.00 0.00 C ATOM 242 CG GLN A 16 111.406 67.185 56.274 1.00 0.00 C ATOM 243 CD GLN A 16 111.569 66.950 57.776 1.00 0.00 C ATOM 244 OE1 GLN A 16 112.618 67.209 58.333 1.00 0.00 O ATOM 245 NE2 GLN A 16 110.569 66.468 58.462 1.00 0.00 N ATOM 0 H GLN A 16 110.219 64.449 54.250 1.00 0.00 H new ATOM 0 HA GLN A 16 111.116 67.110 53.806 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.962 65.113 55.843 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.667 65.509 55.747 1.00 0.00 H new ATOM 0 HG2 GLN A 16 112.100 67.956 55.939 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.400 67.546 56.059 1.00 0.00 H new ATOM 0 HE21 GLN A 16 109.688 66.250 57.996 1.00 0.00 H new ATOM 0 HE22 GLN A 16 110.668 66.309 59.465 1.00 0.00 H new ATOM 254 N GLY A 17 113.339 64.856 53.019 1.00 0.00 N ATOM 255 CA GLY A 17 114.654 64.714 52.337 1.00 0.00 C ATOM 256 C GLY A 17 114.610 65.476 51.012 1.00 0.00 C ATOM 257 O GLY A 17 115.418 66.347 50.759 1.00 0.00 O ATOM 0 H GLY A 17 112.851 63.981 53.210 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.451 65.104 52.970 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.875 63.661 52.159 1.00 0.00 H new ATOM 261 N TYR A 18 113.661 65.161 50.169 1.00 0.00 N ATOM 262 CA TYR A 18 113.547 65.868 48.861 1.00 0.00 C ATOM 263 C TYR A 18 113.627 67.384 49.065 1.00 0.00 C ATOM 264 O TYR A 18 114.312 68.086 48.346 1.00 0.00 O ATOM 265 CB TYR A 18 112.169 65.476 48.331 1.00 0.00 C ATOM 266 CG TYR A 18 112.227 65.320 46.832 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.241 64.534 46.246 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.267 65.961 46.019 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.296 64.387 44.841 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.321 65.815 44.616 1.00 0.00 C ATOM 271 CZ TYR A 18 112.336 65.029 44.025 1.00 0.00 C ATOM 272 OH TYR A 18 112.389 64.887 42.654 1.00 0.00 O ATOM 0 H TYR A 18 112.957 64.441 50.332 1.00 0.00 H new ATOM 0 HA TYR A 18 114.349 65.599 48.173 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.844 64.543 48.791 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.436 66.236 48.599 1.00 0.00 H new ATOM 0 HD1 TYR A 18 113.975 64.045 46.870 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.492 66.563 46.470 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.071 63.784 44.391 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.586 66.304 43.994 1.00 0.00 H new ATOM 0 HH TYR A 18 113.313 64.711 42.379 1.00 0.00 H new ATOM 282 N THR A 19 112.930 67.889 50.042 1.00 0.00 N ATOM 283 CA THR A 19 112.956 69.356 50.303 1.00 0.00 C ATOM 284 C THR A 19 114.399 69.832 50.507 1.00 0.00 C ATOM 285 O THR A 19 114.772 70.910 50.089 1.00 0.00 O ATOM 286 CB THR A 19 112.143 69.533 51.586 1.00 0.00 C ATOM 287 OG1 THR A 19 110.813 69.083 51.364 1.00 0.00 O ATOM 288 CG2 THR A 19 112.123 71.007 51.986 1.00 0.00 C ATOM 0 H THR A 19 112.341 67.348 50.674 1.00 0.00 H new ATOM 0 HA THR A 19 112.549 69.936 49.475 1.00 0.00 H new ATOM 0 HB THR A 19 112.599 68.951 52.387 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.289 69.193 52.185 1.00 0.00 H new ATOM 0 HG21 THR A 19 111.543 71.128 52.901 1.00 0.00 H new ATOM 0 HG22 THR A 19 113.143 71.352 52.155 1.00 0.00 H new ATOM 0 HG23 THR A 19 111.669 71.594 51.188 1.00 0.00 H new ATOM 296 N VAL A 20 115.211 69.036 51.150 1.00 0.00 N ATOM 297 CA VAL A 20 116.626 69.445 51.386 1.00 0.00 C ATOM 298 C VAL A 20 117.477 69.194 50.137 1.00 0.00 C ATOM 299 O VAL A 20 118.485 69.839 49.923 1.00 0.00 O ATOM 300 CB VAL A 20 117.102 68.567 52.543 1.00 0.00 C ATOM 301 CG1 VAL A 20 118.578 68.852 52.829 1.00 0.00 C ATOM 302 CG2 VAL A 20 116.272 68.876 53.791 1.00 0.00 C ATOM 0 H VAL A 20 114.956 68.121 51.522 1.00 0.00 H new ATOM 0 HA VAL A 20 116.712 70.508 51.613 1.00 0.00 H new ATOM 0 HB VAL A 20 116.981 67.517 52.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.916 68.225 53.654 1.00 0.00 H new ATOM 0 HG12 VAL A 20 119.170 68.632 51.940 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.701 69.902 53.096 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.610 68.250 54.617 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.393 69.926 54.058 1.00 0.00 H new ATOM 0 HG23 VAL A 20 115.221 68.672 53.588 1.00 0.00 H new ATOM 312 N GLU A 21 117.084 68.264 49.307 1.00 0.00 N ATOM 313 CA GLU A 21 117.885 67.985 48.072 1.00 0.00 C ATOM 314 C GLU A 21 117.448 68.941 46.968 1.00 0.00 C ATOM 315 O GLU A 21 118.233 69.698 46.431 1.00 0.00 O ATOM 316 CB GLU A 21 117.577 66.537 47.636 1.00 0.00 C ATOM 317 CG GLU A 21 117.242 65.644 48.836 1.00 0.00 C ATOM 318 CD GLU A 21 117.906 64.277 48.659 1.00 0.00 C ATOM 319 OE1 GLU A 21 119.124 64.234 48.600 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.185 63.295 48.587 1.00 0.00 O ATOM 0 H GLU A 21 116.251 67.688 49.426 1.00 0.00 H new ATOM 0 HA GLU A 21 118.950 68.115 48.262 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.740 66.537 46.937 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.436 66.126 47.105 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.588 66.111 49.758 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.162 65.526 48.924 1.00 0.00 H new ATOM 327 N VAL A 22 116.192 68.903 46.629 1.00 0.00 N ATOM 328 CA VAL A 22 115.671 69.796 45.559 1.00 0.00 C ATOM 329 C VAL A 22 116.061 71.249 45.847 1.00 0.00 C ATOM 330 O VAL A 22 116.316 72.022 44.945 1.00 0.00 O ATOM 331 CB VAL A 22 114.154 69.622 45.609 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.519 70.397 44.461 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.798 68.139 45.468 1.00 0.00 C ATOM 0 H VAL A 22 115.498 68.286 47.051 1.00 0.00 H new ATOM 0 HA VAL A 22 116.076 69.551 44.577 1.00 0.00 H new ATOM 0 HB VAL A 22 113.781 69.997 46.562 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.436 70.275 44.494 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.768 71.454 44.554 1.00 0.00 H new ATOM 0 HG13 VAL A 22 113.898 70.017 43.512 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.715 68.020 45.504 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.173 67.764 44.516 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.252 67.577 46.284 1.00 0.00 H new ATOM 343 N LEU A 23 116.113 71.626 47.096 1.00 0.00 N ATOM 344 CA LEU A 23 116.493 73.027 47.434 1.00 0.00 C ATOM 345 C LEU A 23 118.008 73.205 47.309 1.00 0.00 C ATOM 346 O LEU A 23 118.491 74.254 46.932 1.00 0.00 O ATOM 347 CB LEU A 23 116.047 73.225 48.882 1.00 0.00 C ATOM 348 CG LEU A 23 116.006 74.719 49.204 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.677 75.308 48.729 1.00 0.00 C ATOM 350 CD2 LEU A 23 116.140 74.917 50.716 1.00 0.00 C ATOM 0 H LEU A 23 115.909 71.026 47.895 1.00 0.00 H new ATOM 0 HA LEU A 23 116.030 73.753 46.766 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.063 72.782 49.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.734 72.715 49.558 1.00 0.00 H new ATOM 0 HG LEU A 23 116.828 75.223 48.696 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.648 76.373 48.959 1.00 0.00 H new ATOM 0 HD12 LEU A 23 114.580 75.166 47.653 1.00 0.00 H new ATOM 0 HD13 LEU A 23 113.854 74.805 49.237 1.00 0.00 H new ATOM 0 HD21 LEU A 23 116.111 75.982 50.948 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.317 74.413 51.223 1.00 0.00 H new ATOM 0 HD23 LEU A 23 117.087 74.498 51.055 1.00 0.00 H new ATOM 362 N ARG A 24 118.762 72.184 47.619 1.00 0.00 N ATOM 363 CA ARG A 24 120.245 72.295 47.513 1.00 0.00 C ATOM 364 C ARG A 24 120.689 72.055 46.068 1.00 0.00 C ATOM 365 O ARG A 24 121.184 72.945 45.405 1.00 0.00 O ATOM 366 CB ARG A 24 120.794 71.202 48.431 1.00 0.00 C ATOM 367 CG ARG A 24 122.322 71.269 48.450 1.00 0.00 C ATOM 368 CD ARG A 24 122.804 71.589 49.866 1.00 0.00 C ATOM 369 NE ARG A 24 124.164 70.991 49.954 1.00 0.00 N ATOM 370 CZ ARG A 24 124.980 71.363 50.902 1.00 0.00 C ATOM 371 NH1 ARG A 24 125.243 72.629 51.078 1.00 0.00 N ATOM 372 NH2 ARG A 24 125.531 70.469 51.676 1.00 0.00 N ATOM 0 H ARG A 24 118.416 71.280 47.940 1.00 0.00 H new ATOM 0 HA ARG A 24 120.606 73.283 47.798 1.00 0.00 H new ATOM 0 HB2 ARG A 24 120.402 71.329 49.440 1.00 0.00 H new ATOM 0 HB3 ARG A 24 120.467 70.222 48.083 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.742 70.319 48.118 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.671 72.032 47.755 1.00 0.00 H new ATOM 0 HD2 ARG A 24 122.834 72.665 50.039 1.00 0.00 H new ATOM 0 HD3 ARG A 24 122.137 71.164 50.616 1.00 0.00 H new ATOM 0 HE ARG A 24 124.458 70.291 49.273 1.00 0.00 H new ATOM 0 HH11 ARG A 24 124.811 73.328 50.474 1.00 0.00 H new ATOM 0 HH12 ARG A 24 125.881 72.919 51.819 1.00 0.00 H new ATOM 0 HH21 ARG A 24 125.324 69.480 51.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 126.169 70.759 52.417 1.00 0.00 H new ATOM 386 N GLN A 25 120.512 70.860 45.573 1.00 0.00 N ATOM 387 CA GLN A 25 120.921 70.567 44.169 1.00 0.00 C ATOM 388 C GLN A 25 120.280 71.576 43.214 1.00 0.00 C ATOM 389 O GLN A 25 120.903 72.053 42.286 1.00 0.00 O ATOM 390 CB GLN A 25 120.397 69.157 43.888 1.00 0.00 C ATOM 391 CG GLN A 25 121.493 68.134 44.192 1.00 0.00 C ATOM 392 CD GLN A 25 121.494 67.817 45.688 1.00 0.00 C ATOM 393 OE1 GLN A 25 121.905 68.629 46.493 1.00 0.00 O ATOM 394 NE2 GLN A 25 121.048 66.662 46.099 1.00 0.00 N ATOM 0 H GLN A 25 120.102 70.075 46.079 1.00 0.00 H new ATOM 0 HA GLN A 25 122.000 70.635 44.030 1.00 0.00 H new ATOM 0 HB2 GLN A 25 119.518 68.956 44.500 1.00 0.00 H new ATOM 0 HB3 GLN A 25 120.086 69.074 42.846 1.00 0.00 H new ATOM 0 HG2 GLN A 25 121.325 67.224 43.617 1.00 0.00 H new ATOM 0 HG3 GLN A 25 122.465 68.526 43.892 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.703 65.979 45.424 1.00 0.00 H new ATOM 0 HE22 GLN A 25 121.045 66.442 47.095 1.00 0.00 H new ATOM 403 N GLN A 26 119.040 71.908 43.439 1.00 0.00 N ATOM 404 CA GLN A 26 118.352 72.889 42.552 1.00 0.00 C ATOM 405 C GLN A 26 118.463 72.452 41.085 1.00 0.00 C ATOM 406 O GLN A 26 118.950 73.193 40.255 1.00 0.00 O ATOM 407 CB GLN A 26 119.089 74.210 42.782 1.00 0.00 C ATOM 408 CG GLN A 26 118.152 75.203 43.472 1.00 0.00 C ATOM 409 CD GLN A 26 117.647 76.224 42.451 1.00 0.00 C ATOM 410 OE1 GLN A 26 117.354 75.880 41.323 1.00 0.00 O ATOM 411 NE2 GLN A 26 117.531 77.476 42.801 1.00 0.00 N ATOM 0 H GLN A 26 118.470 71.541 44.202 1.00 0.00 H new ATOM 0 HA GLN A 26 117.288 72.972 42.773 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.974 74.043 43.395 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.432 74.618 41.831 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.311 74.674 43.920 1.00 0.00 H new ATOM 0 HG3 GLN A 26 118.676 75.711 44.281 1.00 0.00 H new ATOM 0 HE21 GLN A 26 117.777 77.766 43.748 1.00 0.00 H new ATOM 0 HE22 GLN A 26 117.195 78.165 42.128 1.00 0.00 H new ATOM 420 N PRO A 27 118.002 71.256 40.810 1.00 0.00 N ATOM 421 CA PRO A 27 118.052 70.728 39.425 1.00 0.00 C ATOM 422 C PRO A 27 117.033 71.458 38.540 1.00 0.00 C ATOM 423 O PRO A 27 116.017 71.919 39.022 1.00 0.00 O ATOM 424 CB PRO A 27 117.674 69.257 39.587 1.00 0.00 C ATOM 425 CG PRO A 27 116.876 69.202 40.848 1.00 0.00 C ATOM 426 CD PRO A 27 117.400 70.294 41.742 1.00 0.00 C ATOM 0 HA PRO A 27 119.023 70.863 38.949 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.093 68.902 38.736 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.560 68.626 39.653 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.816 69.347 40.641 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.977 68.228 41.327 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.601 70.750 42.326 1.00 0.00 H new ATOM 0 HD3 PRO A 27 118.134 69.912 42.451 1.00 0.00 H new ATOM 434 N PRO A 28 117.337 71.541 37.268 1.00 0.00 N ATOM 435 CA PRO A 28 116.425 72.225 36.317 1.00 0.00 C ATOM 436 C PRO A 28 115.160 71.390 36.102 1.00 0.00 C ATOM 437 O PRO A 28 114.101 71.913 35.816 1.00 0.00 O ATOM 438 CB PRO A 28 117.246 72.314 35.033 1.00 0.00 C ATOM 439 CG PRO A 28 118.239 71.202 35.133 1.00 0.00 C ATOM 440 CD PRO A 28 118.535 71.017 36.598 1.00 0.00 C ATOM 0 HA PRO A 28 116.090 73.201 36.668 1.00 0.00 H new ATOM 0 HB2 PRO A 28 116.614 72.201 34.152 1.00 0.00 H new ATOM 0 HB3 PRO A 28 117.743 73.281 34.948 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.838 70.285 34.700 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.148 71.444 34.582 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.703 69.968 36.843 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.431 71.562 36.897 1.00 0.00 H new ATOM 448 N ASP A 29 115.262 70.098 36.240 1.00 0.00 N ATOM 449 CA ASP A 29 114.067 69.228 36.047 1.00 0.00 C ATOM 450 C ASP A 29 113.840 68.364 37.289 1.00 0.00 C ATOM 451 O ASP A 29 114.687 67.584 37.678 1.00 0.00 O ATOM 452 CB ASP A 29 114.403 68.355 34.837 1.00 0.00 C ATOM 453 CG ASP A 29 114.101 69.126 33.550 1.00 0.00 C ATOM 454 OD1 ASP A 29 114.737 70.143 33.328 1.00 0.00 O ATOM 455 OD2 ASP A 29 113.235 68.687 32.811 1.00 0.00 O ATOM 0 H ASP A 29 116.123 69.605 36.479 1.00 0.00 H new ATOM 0 HA ASP A 29 113.155 69.804 35.890 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.454 68.068 34.863 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.820 67.434 34.867 1.00 0.00 H new ATOM 460 N LEU A 30 112.705 68.498 37.916 1.00 0.00 N ATOM 461 CA LEU A 30 112.423 67.688 39.135 1.00 0.00 C ATOM 462 C LEU A 30 111.913 66.299 38.743 1.00 0.00 C ATOM 463 O LEU A 30 112.221 65.310 39.378 1.00 0.00 O ATOM 464 CB LEU A 30 111.341 68.465 39.884 1.00 0.00 C ATOM 465 CG LEU A 30 111.048 67.778 41.217 1.00 0.00 C ATOM 466 CD1 LEU A 30 112.043 68.264 42.271 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.625 68.120 41.662 1.00 0.00 C ATOM 0 H LEU A 30 111.959 69.135 37.637 1.00 0.00 H new ATOM 0 HA LEU A 30 113.313 67.537 39.745 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.668 69.490 40.056 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.433 68.517 39.282 1.00 0.00 H new ATOM 0 HG LEU A 30 111.143 66.699 41.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.834 67.774 43.222 1.00 0.00 H new ATOM 0 HD12 LEU A 30 113.057 68.022 41.953 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.948 69.343 42.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.414 67.631 42.613 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.530 69.199 41.780 1.00 0.00 H new ATOM 0 HD23 LEU A 30 108.916 67.774 40.910 1.00 0.00 H new ATOM 479 N VAL A 31 111.136 66.216 37.697 1.00 0.00 N ATOM 480 CA VAL A 31 110.607 64.891 37.258 1.00 0.00 C ATOM 481 C VAL A 31 111.750 63.884 37.133 1.00 0.00 C ATOM 482 O VAL A 31 111.807 62.897 37.837 1.00 0.00 O ATOM 483 CB VAL A 31 109.983 65.151 35.889 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.319 63.870 35.377 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.929 66.254 36.012 1.00 0.00 C ATOM 0 H VAL A 31 110.844 67.009 37.126 1.00 0.00 H new ATOM 0 HA VAL A 31 109.889 64.478 37.966 1.00 0.00 H new ATOM 0 HB VAL A 31 110.759 65.462 35.190 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.874 64.057 34.400 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.067 63.082 35.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.543 63.558 36.076 1.00 0.00 H new ATOM 0 HG21 VAL A 31 108.482 66.441 35.035 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.154 65.940 36.711 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.399 67.167 36.377 1.00 0.00 H new ATOM 495 N ASP A 32 112.663 64.134 36.237 1.00 0.00 N ATOM 496 CA ASP A 32 113.809 63.203 36.057 1.00 0.00 C ATOM 497 C ASP A 32 114.585 63.064 37.369 1.00 0.00 C ATOM 498 O ASP A 32 115.079 62.005 37.698 1.00 0.00 O ATOM 499 CB ASP A 32 114.670 63.863 34.981 1.00 0.00 C ATOM 500 CG ASP A 32 115.282 62.785 34.084 1.00 0.00 C ATOM 501 OD1 ASP A 32 114.594 61.820 33.796 1.00 0.00 O ATOM 502 OD2 ASP A 32 116.430 62.944 33.701 1.00 0.00 O ATOM 0 H ASP A 32 112.664 64.946 35.620 1.00 0.00 H new ATOM 0 HA ASP A 32 113.497 62.198 35.772 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.065 64.547 34.385 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.458 64.456 35.444 1.00 0.00 H new ATOM 507 N PHE A 33 114.689 64.124 38.124 1.00 0.00 N ATOM 508 CA PHE A 33 115.427 64.044 39.417 1.00 0.00 C ATOM 509 C PHE A 33 114.676 63.133 40.390 1.00 0.00 C ATOM 510 O PHE A 33 115.263 62.317 41.073 1.00 0.00 O ATOM 511 CB PHE A 33 115.464 65.478 39.948 1.00 0.00 C ATOM 512 CG PHE A 33 116.160 65.496 41.287 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.538 65.195 41.371 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.435 65.809 42.460 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.190 65.208 42.624 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.087 65.821 43.713 1.00 0.00 C ATOM 517 CZ PHE A 33 117.464 65.521 43.795 1.00 0.00 C ATOM 0 H PHE A 33 114.296 65.039 37.902 1.00 0.00 H new ATOM 0 HA PHE A 33 116.429 63.632 39.296 1.00 0.00 H new ATOM 0 HB2 PHE A 33 115.988 66.125 39.244 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.451 65.868 40.047 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.093 64.955 40.476 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.382 66.039 42.398 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.243 64.979 42.687 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.532 66.060 44.608 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.963 65.531 44.753 1.00 0.00 H new ATOM 527 N ALA A 34 113.380 63.268 40.456 1.00 0.00 N ATOM 528 CA ALA A 34 112.585 62.412 41.383 1.00 0.00 C ATOM 529 C ALA A 34 112.775 60.933 41.034 1.00 0.00 C ATOM 530 O ALA A 34 112.798 60.080 41.899 1.00 0.00 O ATOM 531 CB ALA A 34 111.132 62.833 41.157 1.00 0.00 C ATOM 0 H ALA A 34 112.836 63.935 39.908 1.00 0.00 H new ATOM 0 HA ALA A 34 112.890 62.533 42.422 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.479 62.248 41.804 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.020 63.892 41.390 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.861 62.660 40.116 1.00 0.00 H new ATOM 537 N VAL A 35 112.909 60.622 39.773 1.00 0.00 N ATOM 538 CA VAL A 35 113.093 59.204 39.370 1.00 0.00 C ATOM 539 C VAL A 35 114.510 58.734 39.709 1.00 0.00 C ATOM 540 O VAL A 35 114.707 57.663 40.245 1.00 0.00 O ATOM 541 CB VAL A 35 112.869 59.207 37.860 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.147 57.815 37.301 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.419 59.595 37.562 1.00 0.00 C ATOM 0 H VAL A 35 112.899 61.293 39.005 1.00 0.00 H new ATOM 0 HA VAL A 35 112.411 58.528 39.887 1.00 0.00 H new ATOM 0 HB VAL A 35 113.542 59.926 37.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.987 57.817 36.223 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.179 57.537 37.514 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.474 57.095 37.766 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.257 59.598 36.484 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.747 58.875 38.028 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.219 60.589 37.961 1.00 0.00 H new ATOM 553 N GLU A 36 115.499 59.528 39.398 1.00 0.00 N ATOM 554 CA GLU A 36 116.903 59.124 39.701 1.00 0.00 C ATOM 555 C GLU A 36 117.125 59.062 41.215 1.00 0.00 C ATOM 556 O GLU A 36 118.040 58.420 41.691 1.00 0.00 O ATOM 557 CB GLU A 36 117.770 60.217 39.075 1.00 0.00 C ATOM 558 CG GLU A 36 117.568 60.223 37.558 1.00 0.00 C ATOM 559 CD GLU A 36 118.827 59.689 36.872 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.906 60.136 37.225 1.00 0.00 O ATOM 561 OE2 GLU A 36 118.691 58.841 36.005 1.00 0.00 O ATOM 0 H GLU A 36 115.396 60.438 38.948 1.00 0.00 H new ATOM 0 HA GLU A 36 117.142 58.136 39.308 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.505 61.189 39.492 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.820 60.044 39.312 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.708 59.608 37.293 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.355 61.235 37.213 1.00 0.00 H new ATOM 568 N TYR A 37 116.297 59.726 41.976 1.00 0.00 N ATOM 569 CA TYR A 37 116.466 59.704 43.458 1.00 0.00 C ATOM 570 C TYR A 37 115.965 58.374 44.032 1.00 0.00 C ATOM 571 O TYR A 37 116.739 57.546 44.471 1.00 0.00 O ATOM 572 CB TYR A 37 115.613 60.867 43.971 1.00 0.00 C ATOM 573 CG TYR A 37 115.618 60.876 45.483 1.00 0.00 C ATOM 574 CD1 TYR A 37 116.827 60.674 46.188 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.414 61.085 46.191 1.00 0.00 C ATOM 576 CE1 TYR A 37 116.830 60.682 47.601 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.418 61.092 47.604 1.00 0.00 C ATOM 578 CZ TYR A 37 115.625 60.891 48.309 1.00 0.00 C ATOM 579 OH TYR A 37 115.629 60.899 49.689 1.00 0.00 O ATOM 0 H TYR A 37 115.512 60.282 41.636 1.00 0.00 H new ATOM 0 HA TYR A 37 117.510 59.802 43.755 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.003 61.811 43.591 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.592 60.772 43.602 1.00 0.00 H new ATOM 0 HD1 TYR A 37 117.748 60.514 45.647 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.491 61.239 45.653 1.00 0.00 H new ATOM 0 HE1 TYR A 37 117.753 60.528 48.140 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.497 61.251 48.145 1.00 0.00 H new ATOM 0 HH TYR A 37 114.719 61.057 50.018 1.00 0.00 H new ATOM 589 N PHE A 38 114.677 58.165 44.037 1.00 0.00 N ATOM 590 CA PHE A 38 114.129 56.891 44.588 1.00 0.00 C ATOM 591 C PHE A 38 114.745 55.688 43.868 1.00 0.00 C ATOM 592 O PHE A 38 115.176 54.737 44.490 1.00 0.00 O ATOM 593 CB PHE A 38 112.625 56.962 44.329 1.00 0.00 C ATOM 594 CG PHE A 38 112.003 57.980 45.255 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.104 57.818 46.654 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.320 59.096 44.721 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.523 58.770 47.521 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.739 60.050 45.587 1.00 0.00 C ATOM 599 CZ PHE A 38 110.841 59.886 46.987 1.00 0.00 C ATOM 0 H PHE A 38 113.980 58.820 43.684 1.00 0.00 H new ATOM 0 HA PHE A 38 114.355 56.771 45.648 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.436 57.236 43.291 1.00 0.00 H new ATOM 0 HB3 PHE A 38 112.171 55.984 44.489 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.626 56.965 47.062 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.242 59.220 43.651 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.600 58.645 48.591 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.218 60.903 45.179 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.397 60.615 47.649 1.00 0.00 H new ATOM 609 N THR A 39 114.788 55.720 42.564 1.00 0.00 N ATOM 610 CA THR A 39 115.377 54.574 41.809 1.00 0.00 C ATOM 611 C THR A 39 116.770 54.242 42.353 1.00 0.00 C ATOM 612 O THR A 39 117.119 53.092 42.532 1.00 0.00 O ATOM 613 CB THR A 39 115.465 55.056 40.360 1.00 0.00 C ATOM 614 OG1 THR A 39 114.159 55.326 39.873 1.00 0.00 O ATOM 615 CG2 THR A 39 116.121 53.975 39.499 1.00 0.00 C ATOM 0 H THR A 39 114.442 56.488 41.988 1.00 0.00 H new ATOM 0 HA THR A 39 114.778 53.668 41.900 1.00 0.00 H new ATOM 0 HB THR A 39 116.065 55.965 40.315 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.953 56.276 39.998 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.183 54.320 38.467 1.00 0.00 H new ATOM 0 HG22 THR A 39 117.124 53.770 39.874 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.524 53.064 39.542 1.00 0.00 H new ATOM 623 N ARG A 40 117.567 55.240 42.622 1.00 0.00 N ATOM 624 CA ARG A 40 118.934 54.980 43.158 1.00 0.00 C ATOM 625 C ARG A 40 118.851 54.575 44.632 1.00 0.00 C ATOM 626 O ARG A 40 119.732 53.924 45.157 1.00 0.00 O ATOM 627 CB ARG A 40 119.678 56.308 43.007 1.00 0.00 C ATOM 628 CG ARG A 40 120.262 56.408 41.595 1.00 0.00 C ATOM 629 CD ARG A 40 121.623 57.105 41.652 1.00 0.00 C ATOM 630 NE ARG A 40 122.125 57.081 40.250 1.00 0.00 N ATOM 631 CZ ARG A 40 123.383 56.831 40.012 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.834 55.609 40.097 1.00 0.00 N ATOM 633 NH2 ARG A 40 124.191 57.804 39.689 1.00 0.00 N ATOM 0 H ARG A 40 117.331 56.224 42.494 1.00 0.00 H new ATOM 0 HA ARG A 40 119.439 54.170 42.632 1.00 0.00 H new ATOM 0 HB2 ARG A 40 118.999 57.141 43.191 1.00 0.00 H new ATOM 0 HB3 ARG A 40 120.475 56.377 43.747 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.369 55.413 41.163 1.00 0.00 H new ATOM 0 HG3 ARG A 40 119.584 56.965 40.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.529 58.127 42.020 1.00 0.00 H new ATOM 0 HD3 ARG A 40 122.305 56.585 42.325 1.00 0.00 H new ATOM 0 HE ARG A 40 121.485 57.260 39.476 1.00 0.00 H new ATOM 0 HH11 ARG A 40 123.203 54.849 40.350 1.00 0.00 H new ATOM 0 HH12 ARG A 40 124.818 55.414 39.911 1.00 0.00 H new ATOM 0 HH21 ARG A 40 123.839 58.759 39.623 1.00 0.00 H new ATOM 0 HH22 ARG A 40 125.175 57.609 39.503 1.00 0.00 H new ATOM 647 N LEU A 41 117.796 54.953 45.302 1.00 0.00 N ATOM 648 CA LEU A 41 117.658 54.586 46.741 1.00 0.00 C ATOM 649 C LEU A 41 117.557 53.066 46.887 1.00 0.00 C ATOM 650 O LEU A 41 118.011 52.496 47.859 1.00 0.00 O ATOM 651 CB LEU A 41 116.365 55.259 47.200 1.00 0.00 C ATOM 652 CG LEU A 41 116.638 56.080 48.461 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.968 57.522 48.070 1.00 0.00 C ATOM 654 CD2 LEU A 41 115.398 56.067 49.357 1.00 0.00 C ATOM 0 H LEU A 41 117.025 55.499 44.916 1.00 0.00 H new ATOM 0 HA LEU A 41 118.514 54.906 47.335 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.977 55.903 46.411 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.602 54.507 47.401 1.00 0.00 H new ATOM 0 HG LEU A 41 117.481 55.647 49.000 1.00 0.00 H new ATOM 0 HD11 LEU A 41 117.163 58.107 48.969 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.851 57.533 47.432 1.00 0.00 H new ATOM 0 HD13 LEU A 41 116.125 57.955 47.531 1.00 0.00 H new ATOM 0 HD21 LEU A 41 115.592 56.652 50.256 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.555 56.499 48.818 1.00 0.00 H new ATOM 0 HD23 LEU A 41 115.162 55.040 49.637 1.00 0.00 H new ATOM 666 N ARG A 42 116.967 52.406 45.928 1.00 0.00 N ATOM 667 CA ARG A 42 116.841 50.923 46.013 1.00 0.00 C ATOM 668 C ARG A 42 118.216 50.293 46.256 1.00 0.00 C ATOM 669 O ARG A 42 118.333 49.248 46.865 1.00 0.00 O ATOM 670 CB ARG A 42 116.289 50.494 44.653 1.00 0.00 C ATOM 671 CG ARG A 42 114.924 49.829 44.838 1.00 0.00 C ATOM 672 CD ARG A 42 113.853 50.636 44.099 1.00 0.00 C ATOM 673 NE ARG A 42 113.251 49.679 43.130 1.00 0.00 N ATOM 674 CZ ARG A 42 113.537 49.767 41.861 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.812 50.521 41.081 1.00 0.00 N ATOM 676 NH2 ARG A 42 114.549 49.104 41.373 1.00 0.00 N ATOM 0 H ARG A 42 116.567 52.829 45.090 1.00 0.00 H new ATOM 0 HA ARG A 42 116.195 50.608 46.832 1.00 0.00 H new ATOM 0 HB2 ARG A 42 116.197 51.360 43.997 1.00 0.00 H new ATOM 0 HB3 ARG A 42 116.979 49.802 44.171 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.951 48.808 44.457 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.679 49.767 45.898 1.00 0.00 H new ATOM 0 HD2 ARG A 42 113.103 51.023 44.789 1.00 0.00 H new ATOM 0 HD3 ARG A 42 114.288 51.494 43.588 1.00 0.00 H new ATOM 0 HE ARG A 42 112.614 48.954 43.459 1.00 0.00 H new ATOM 0 HH11 ARG A 42 112.022 51.041 41.464 1.00 0.00 H new ATOM 0 HH12 ARG A 42 113.035 50.591 40.088 1.00 0.00 H new ATOM 0 HH21 ARG A 42 115.116 48.517 41.984 1.00 0.00 H new ATOM 0 HH22 ARG A 42 114.773 49.173 40.380 1.00 0.00 H new ATOM 690 N GLU A 43 119.255 50.926 45.786 1.00 0.00 N ATOM 691 CA GLU A 43 120.624 50.371 45.988 1.00 0.00 C ATOM 692 C GLU A 43 121.126 50.708 47.394 1.00 0.00 C ATOM 693 O GLU A 43 121.989 50.044 47.934 1.00 0.00 O ATOM 694 CB GLU A 43 121.488 51.059 44.930 1.00 0.00 C ATOM 695 CG GLU A 43 121.761 50.087 43.781 1.00 0.00 C ATOM 696 CD GLU A 43 123.255 50.094 43.450 1.00 0.00 C ATOM 697 OE1 GLU A 43 124.018 49.552 44.232 1.00 0.00 O ATOM 698 OE2 GLU A 43 123.610 50.645 42.420 1.00 0.00 O ATOM 0 H GLU A 43 119.216 51.805 45.270 1.00 0.00 H new ATOM 0 HA GLU A 43 120.650 49.285 45.893 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.982 51.949 44.555 1.00 0.00 H new ATOM 0 HB3 GLU A 43 122.428 51.389 45.372 1.00 0.00 H new ATOM 0 HG2 GLU A 43 121.444 49.082 44.058 1.00 0.00 H new ATOM 0 HG3 GLU A 43 121.182 50.373 42.903 1.00 0.00 H new ATOM 705 N ALA A 44 120.590 51.738 47.992 1.00 0.00 N ATOM 706 CA ALA A 44 121.035 52.121 49.364 1.00 0.00 C ATOM 707 C ALA A 44 120.498 51.130 50.393 1.00 0.00 C ATOM 708 O ALA A 44 121.213 50.292 50.905 1.00 0.00 O ATOM 709 CB ALA A 44 120.421 53.498 49.611 1.00 0.00 C ATOM 0 H ALA A 44 119.864 52.331 47.590 1.00 0.00 H new ATOM 0 HA ALA A 44 122.122 52.126 49.450 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.703 53.850 50.603 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.786 54.199 48.860 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.335 53.429 49.546 1.00 0.00 H new ATOM 715 N ARG A 45 119.236 51.233 50.703 1.00 0.00 N ATOM 716 CA ARG A 45 118.626 50.319 51.704 1.00 0.00 C ATOM 717 C ARG A 45 119.488 50.252 52.970 1.00 0.00 C ATOM 718 O ARG A 45 120.210 51.175 53.290 1.00 0.00 O ATOM 719 CB ARG A 45 118.567 48.955 51.018 1.00 0.00 C ATOM 720 CG ARG A 45 117.155 48.377 51.146 1.00 0.00 C ATOM 721 CD ARG A 45 116.278 48.916 50.014 1.00 0.00 C ATOM 722 NE ARG A 45 115.018 48.126 50.096 1.00 0.00 N ATOM 723 CZ ARG A 45 114.106 48.255 49.173 1.00 0.00 C ATOM 724 NH1 ARG A 45 114.446 48.226 47.913 1.00 0.00 N ATOM 725 NH2 ARG A 45 112.855 48.413 49.507 1.00 0.00 N ATOM 0 H ARG A 45 118.596 51.918 50.301 1.00 0.00 H new ATOM 0 HA ARG A 45 117.639 50.659 52.017 1.00 0.00 H new ATOM 0 HB2 ARG A 45 118.837 49.053 49.966 1.00 0.00 H new ATOM 0 HB3 ARG A 45 119.291 48.277 51.471 1.00 0.00 H new ATOM 0 HG2 ARG A 45 117.191 47.288 51.105 1.00 0.00 H new ATOM 0 HG3 ARG A 45 116.727 48.646 52.112 1.00 0.00 H new ATOM 0 HD2 ARG A 45 116.085 49.982 50.137 1.00 0.00 H new ATOM 0 HD3 ARG A 45 116.761 48.789 49.045 1.00 0.00 H new ATOM 0 HE ARG A 45 114.868 47.484 50.874 1.00 0.00 H new ATOM 0 HH11 ARG A 45 115.424 48.103 47.651 1.00 0.00 H new ATOM 0 HH12 ARG A 45 113.734 48.327 47.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 112.589 48.436 50.491 1.00 0.00 H new ATOM 0 HH22 ARG A 45 112.143 48.514 48.784 1.00 0.00 H new ATOM 739 N ARG A 46 119.415 49.167 53.692 1.00 0.00 N ATOM 740 CA ARG A 46 120.229 49.044 54.935 1.00 0.00 C ATOM 741 C ARG A 46 121.473 48.193 54.671 1.00 0.00 C ATOM 742 O ARG A 46 122.567 48.713 54.825 1.00 0.00 O ATOM 743 CB ARG A 46 119.310 48.353 55.942 1.00 0.00 C ATOM 744 CG ARG A 46 118.551 49.408 56.749 1.00 0.00 C ATOM 745 CD ARG A 46 119.222 49.588 58.113 1.00 0.00 C ATOM 746 NE ARG A 46 118.541 50.765 58.722 1.00 0.00 N ATOM 747 CZ ARG A 46 118.526 50.911 60.020 1.00 0.00 C ATOM 748 NH1 ARG A 46 119.639 51.130 60.665 1.00 0.00 N ATOM 749 NH2 ARG A 46 117.398 50.836 60.672 1.00 0.00 N ATOM 750 OXT ARG A 46 121.313 47.036 54.319 1.00 0.00 O ATOM 0 H ARG A 46 118.828 48.362 53.475 1.00 0.00 H new ATOM 0 HA ARG A 46 120.578 50.011 55.298 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.607 47.703 55.422 1.00 0.00 H new ATOM 0 HB3 ARG A 46 119.895 47.721 56.610 1.00 0.00 H new ATOM 0 HG2 ARG A 46 118.540 50.355 56.210 1.00 0.00 H new ATOM 0 HG3 ARG A 46 117.513 49.103 56.880 1.00 0.00 H new ATOM 0 HD2 ARG A 46 119.104 48.699 58.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 120.293 49.762 58.007 1.00 0.00 H new ATOM 0 HE ARG A 46 118.087 51.457 58.126 1.00 0.00 H new ATOM 0 HH11 ARG A 46 120.521 51.187 60.156 1.00 0.00 H new ATOM 0 HH12 ARG A 46 119.627 51.244 61.679 1.00 0.00 H new ATOM 0 HH21 ARG A 46 116.528 50.663 60.168 1.00 0.00 H new ATOM 0 HH22 ARG A 46 117.386 50.950 61.686 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 108.880 89.313 60.137 1.00 0.00 N ATOM 766 CA HIS B 1 108.509 90.159 58.966 1.00 0.00 C ATOM 767 C HIS B 1 109.253 89.684 57.714 1.00 0.00 C ATOM 768 O HIS B 1 108.653 89.397 56.697 1.00 0.00 O ATOM 769 CB HIS B 1 108.948 91.574 59.345 1.00 0.00 C ATOM 770 CG HIS B 1 108.095 92.077 60.477 1.00 0.00 C ATOM 771 ND1 HIS B 1 108.588 92.933 61.449 1.00 0.00 N ATOM 772 CD2 HIS B 1 106.782 91.854 60.804 1.00 0.00 C ATOM 773 CE1 HIS B 1 107.585 93.191 62.308 1.00 0.00 C ATOM 774 NE2 HIS B 1 106.460 92.558 61.961 1.00 0.00 N ATOM 0 H1 HIS B 1 108.189 89.455 60.901 1.00 0.00 H new ATOM 0 H2 HIS B 1 108.883 88.312 59.855 1.00 0.00 H new ATOM 0 H3 HIS B 1 109.827 89.581 60.473 1.00 0.00 H new ATOM 0 HA HIS B 1 107.444 90.109 58.741 1.00 0.00 H new ATOM 0 HB2 HIS B 1 109.998 91.574 59.639 1.00 0.00 H new ATOM 0 HB3 HIS B 1 108.857 92.237 58.485 1.00 0.00 H new ATOM 0 HD2 HIS B 1 106.101 91.227 60.248 1.00 0.00 H new ATOM 0 HE1 HIS B 1 107.678 93.832 63.173 1.00 0.00 H new ATOM 0 HE2 HIS B 1 105.560 92.585 62.440 1.00 0.00 H new ATOM 784 N MET B 2 110.552 89.599 57.782 1.00 0.00 N ATOM 785 CA MET B 2 111.333 89.142 56.596 1.00 0.00 C ATOM 786 C MET B 2 112.043 87.821 56.907 1.00 0.00 C ATOM 787 O MET B 2 112.607 87.644 57.969 1.00 0.00 O ATOM 788 CB MET B 2 112.353 90.253 56.342 1.00 0.00 C ATOM 789 CG MET B 2 111.726 91.332 55.457 1.00 0.00 C ATOM 790 SD MET B 2 111.693 90.759 53.740 1.00 0.00 S ATOM 791 CE MET B 2 109.923 90.392 53.654 1.00 0.00 C ATOM 0 H MET B 2 111.108 89.826 58.607 1.00 0.00 H new ATOM 0 HA MET B 2 110.699 88.964 55.727 1.00 0.00 H new ATOM 0 HB2 MET B 2 112.676 90.687 57.288 1.00 0.00 H new ATOM 0 HB3 MET B 2 113.240 89.843 55.860 1.00 0.00 H new ATOM 0 HG2 MET B 2 110.715 91.554 55.797 1.00 0.00 H new ATOM 0 HG3 MET B 2 112.298 92.257 55.532 1.00 0.00 H new ATOM 0 HE1 MET B 2 109.781 89.340 53.406 1.00 0.00 H new ATOM 0 HE2 MET B 2 109.460 90.603 54.618 1.00 0.00 H new ATOM 0 HE3 MET B 2 109.460 91.012 52.886 1.00 0.00 H new ATOM 801 N GLY B 3 112.018 86.894 55.989 1.00 0.00 N ATOM 802 CA GLY B 3 112.692 85.586 56.233 1.00 0.00 C ATOM 803 C GLY B 3 113.702 85.314 55.116 1.00 0.00 C ATOM 804 O GLY B 3 113.988 86.170 54.303 1.00 0.00 O ATOM 0 H GLY B 3 111.561 86.985 55.082 1.00 0.00 H new ATOM 0 HA2 GLY B 3 113.197 85.600 57.199 1.00 0.00 H new ATOM 0 HA3 GLY B 3 111.953 84.786 56.272 1.00 0.00 H new ATOM 808 N HIS B 4 114.243 84.128 55.070 1.00 0.00 N ATOM 809 CA HIS B 4 115.235 83.801 54.005 1.00 0.00 C ATOM 810 C HIS B 4 114.856 82.487 53.317 1.00 0.00 C ATOM 811 O HIS B 4 115.706 81.731 52.891 1.00 0.00 O ATOM 812 CB HIS B 4 116.569 83.656 54.737 1.00 0.00 C ATOM 813 CG HIS B 4 116.908 84.952 55.423 1.00 0.00 C ATOM 814 ND1 HIS B 4 116.390 85.289 56.663 1.00 0.00 N ATOM 815 CD2 HIS B 4 117.712 86.002 55.055 1.00 0.00 C ATOM 816 CE1 HIS B 4 116.885 86.496 56.994 1.00 0.00 C ATOM 817 NE2 HIS B 4 117.696 86.976 56.049 1.00 0.00 N ATOM 0 H HIS B 4 114.042 83.371 55.723 1.00 0.00 H new ATOM 0 HA HIS B 4 115.277 84.566 53.230 1.00 0.00 H new ATOM 0 HB2 HIS B 4 116.509 82.850 55.468 1.00 0.00 H new ATOM 0 HB3 HIS B 4 117.356 83.389 54.032 1.00 0.00 H new ATOM 0 HD2 HIS B 4 118.272 86.063 54.134 1.00 0.00 H new ATOM 0 HE1 HIS B 4 116.654 87.014 57.913 1.00 0.00 H new ATOM 0 HE2 HIS B 4 118.196 87.865 56.054 1.00 0.00 H new ATOM 825 N ILE B 5 113.586 82.210 53.209 1.00 0.00 N ATOM 826 CA ILE B 5 113.151 80.944 52.551 1.00 0.00 C ATOM 827 C ILE B 5 112.571 81.238 51.165 1.00 0.00 C ATOM 828 O ILE B 5 111.681 82.051 51.015 1.00 0.00 O ATOM 829 CB ILE B 5 112.073 80.373 53.471 1.00 0.00 C ATOM 830 CG1 ILE B 5 112.674 80.103 54.854 1.00 0.00 C ATOM 831 CG2 ILE B 5 111.536 79.067 52.884 1.00 0.00 C ATOM 832 CD1 ILE B 5 113.834 79.112 54.728 1.00 0.00 C ATOM 0 H ILE B 5 112.830 82.805 53.548 1.00 0.00 H new ATOM 0 HA ILE B 5 113.978 80.248 52.407 1.00 0.00 H new ATOM 0 HB ILE B 5 111.257 81.090 53.562 1.00 0.00 H new ATOM 0 HG12 ILE B 5 113.026 81.035 55.297 1.00 0.00 H new ATOM 0 HG13 ILE B 5 111.911 79.702 55.521 1.00 0.00 H new ATOM 0 HG21 ILE B 5 110.767 78.661 53.542 1.00 0.00 H new ATOM 0 HG22 ILE B 5 111.107 79.259 51.900 1.00 0.00 H new ATOM 0 HG23 ILE B 5 112.350 78.348 52.791 1.00 0.00 H new ATOM 0 HD11 ILE B 5 114.259 78.922 55.714 1.00 0.00 H new ATOM 0 HD12 ILE B 5 113.469 78.177 54.304 1.00 0.00 H new ATOM 0 HD13 ILE B 5 114.601 79.531 54.076 1.00 0.00 H new ATOM 844 N GLN B 6 113.066 80.583 50.150 1.00 0.00 N ATOM 845 CA GLN B 6 112.540 80.826 48.776 1.00 0.00 C ATOM 846 C GLN B 6 111.920 79.545 48.211 1.00 0.00 C ATOM 847 O GLN B 6 112.611 78.601 47.883 1.00 0.00 O ATOM 848 CB GLN B 6 113.759 81.240 47.952 1.00 0.00 C ATOM 849 CG GLN B 6 114.280 82.590 48.450 1.00 0.00 C ATOM 850 CD GLN B 6 115.235 83.184 47.413 1.00 0.00 C ATOM 851 OE1 GLN B 6 116.233 82.578 47.073 1.00 0.00 O ATOM 852 NE2 GLN B 6 114.971 84.350 46.891 1.00 0.00 N ATOM 0 H GLN B 6 113.812 79.890 50.213 1.00 0.00 H new ATOM 0 HA GLN B 6 111.761 81.588 48.762 1.00 0.00 H new ATOM 0 HB2 GLN B 6 114.540 80.484 48.035 1.00 0.00 H new ATOM 0 HB3 GLN B 6 113.492 81.308 46.897 1.00 0.00 H new ATOM 0 HG2 GLN B 6 113.447 83.271 48.625 1.00 0.00 H new ATOM 0 HG3 GLN B 6 114.794 82.464 49.403 1.00 0.00 H new ATOM 0 HE21 GLN B 6 114.134 84.859 47.176 1.00 0.00 H new ATOM 0 HE22 GLN B 6 115.602 84.753 46.198 1.00 0.00 H new ATOM 861 N ILE B 7 110.620 79.505 48.094 1.00 0.00 N ATOM 862 CA ILE B 7 109.957 78.283 47.552 1.00 0.00 C ATOM 863 C ILE B 7 109.345 78.582 46.174 1.00 0.00 C ATOM 864 O ILE B 7 108.429 79.373 46.069 1.00 0.00 O ATOM 865 CB ILE B 7 108.858 77.950 48.561 1.00 0.00 C ATOM 866 CG1 ILE B 7 109.482 77.735 49.943 1.00 0.00 C ATOM 867 CG2 ILE B 7 108.134 76.674 48.126 1.00 0.00 C ATOM 868 CD1 ILE B 7 110.497 76.593 49.875 1.00 0.00 C ATOM 0 H ILE B 7 109.989 80.264 48.350 1.00 0.00 H new ATOM 0 HA ILE B 7 110.656 77.457 47.420 1.00 0.00 H new ATOM 0 HB ILE B 7 108.146 78.774 48.607 1.00 0.00 H new ATOM 0 HG12 ILE B 7 109.970 78.650 50.279 1.00 0.00 H new ATOM 0 HG13 ILE B 7 108.706 77.502 50.672 1.00 0.00 H new ATOM 0 HG21 ILE B 7 107.350 76.437 48.846 1.00 0.00 H new ATOM 0 HG22 ILE B 7 107.689 76.825 47.142 1.00 0.00 H new ATOM 0 HG23 ILE B 7 108.846 75.850 48.080 1.00 0.00 H new ATOM 0 HD11 ILE B 7 110.940 76.441 50.859 1.00 0.00 H new ATOM 0 HD12 ILE B 7 109.995 75.679 49.558 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.280 76.844 49.159 1.00 0.00 H new ATOM 880 N PRO B 8 109.866 77.938 45.154 1.00 0.00 N ATOM 881 CA PRO B 8 109.347 78.155 43.780 1.00 0.00 C ATOM 882 C PRO B 8 107.962 77.508 43.621 1.00 0.00 C ATOM 883 O PRO B 8 107.745 76.403 44.077 1.00 0.00 O ATOM 884 CB PRO B 8 110.374 77.459 42.893 1.00 0.00 C ATOM 885 CG PRO B 8 111.003 76.429 43.771 1.00 0.00 C ATOM 886 CD PRO B 8 110.968 76.968 45.176 1.00 0.00 C ATOM 0 HA PRO B 8 109.222 79.209 43.532 1.00 0.00 H new ATOM 0 HB2 PRO B 8 109.901 77.002 42.024 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.115 78.165 42.518 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.462 75.485 43.707 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.029 76.231 43.459 1.00 0.00 H new ATOM 0 HD2 PRO B 8 110.789 76.176 45.903 1.00 0.00 H new ATOM 0 HD3 PRO B 8 111.912 77.442 45.446 1.00 0.00 H new ATOM 894 N PRO B 9 107.066 78.216 42.975 1.00 0.00 N ATOM 895 CA PRO B 9 105.696 77.687 42.764 1.00 0.00 C ATOM 896 C PRO B 9 105.699 76.614 41.671 1.00 0.00 C ATOM 897 O PRO B 9 106.512 76.638 40.767 1.00 0.00 O ATOM 898 CB PRO B 9 104.900 78.909 42.317 1.00 0.00 C ATOM 899 CG PRO B 9 105.912 79.838 41.722 1.00 0.00 C ATOM 900 CD PRO B 9 107.233 79.556 42.391 1.00 0.00 C ATOM 0 HA PRO B 9 105.280 77.216 43.655 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.137 78.637 41.587 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.385 79.373 43.158 1.00 0.00 H new ATOM 0 HG2 PRO B 9 105.987 79.685 40.645 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.618 80.876 41.877 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.054 79.578 41.675 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.458 80.298 43.157 1.00 0.00 H new ATOM 908 N GLY B 10 104.796 75.676 41.743 1.00 0.00 N ATOM 909 CA GLY B 10 104.747 74.607 40.705 1.00 0.00 C ATOM 910 C GLY B 10 105.069 73.253 41.341 1.00 0.00 C ATOM 911 O GLY B 10 104.629 72.220 40.878 1.00 0.00 O ATOM 0 H GLY B 10 104.090 75.603 42.475 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.759 74.578 40.246 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.461 74.825 39.911 1.00 0.00 H new ATOM 915 N LEU B 11 105.833 73.250 42.398 1.00 0.00 N ATOM 916 CA LEU B 11 106.184 71.961 43.060 1.00 0.00 C ATOM 917 C LEU B 11 105.065 71.533 44.015 1.00 0.00 C ATOM 918 O LEU B 11 104.892 70.364 44.297 1.00 0.00 O ATOM 919 CB LEU B 11 107.470 72.250 43.836 1.00 0.00 C ATOM 920 CG LEU B 11 108.646 71.544 43.161 1.00 0.00 C ATOM 921 CD1 LEU B 11 109.617 72.587 42.603 1.00 0.00 C ATOM 922 CD2 LEU B 11 109.372 70.670 44.185 1.00 0.00 C ATOM 0 H LEU B 11 106.230 74.083 42.832 1.00 0.00 H new ATOM 0 HA LEU B 11 106.315 71.151 42.342 1.00 0.00 H new ATOM 0 HB2 LEU B 11 107.651 73.324 43.873 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.370 71.908 44.866 1.00 0.00 H new ATOM 0 HG LEU B 11 108.275 70.921 42.347 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.455 72.083 42.122 1.00 0.00 H new ATOM 0 HD12 LEU B 11 109.101 73.211 41.873 1.00 0.00 H new ATOM 0 HD13 LEU B 11 109.987 73.211 43.416 1.00 0.00 H new ATOM 0 HD21 LEU B 11 110.211 70.166 43.704 1.00 0.00 H new ATOM 0 HD22 LEU B 11 109.742 71.294 44.999 1.00 0.00 H new ATOM 0 HD23 LEU B 11 108.682 69.926 44.583 1.00 0.00 H new ATOM 934 N THR B 12 104.308 72.469 44.515 1.00 0.00 N ATOM 935 CA THR B 12 103.203 72.112 45.452 1.00 0.00 C ATOM 936 C THR B 12 102.293 71.055 44.822 1.00 0.00 C ATOM 937 O THR B 12 102.080 69.995 45.377 1.00 0.00 O ATOM 938 CB THR B 12 102.435 73.417 45.674 1.00 0.00 C ATOM 939 OG1 THR B 12 103.335 74.427 46.107 1.00 0.00 O ATOM 940 CG2 THR B 12 101.357 73.200 46.738 1.00 0.00 C ATOM 0 H THR B 12 104.405 73.465 44.317 1.00 0.00 H new ATOM 0 HA THR B 12 103.575 71.693 46.387 1.00 0.00 H new ATOM 0 HB THR B 12 101.965 73.726 44.741 1.00 0.00 H new ATOM 0 HG1 THR B 12 102.845 75.264 46.248 1.00 0.00 H new ATOM 0 HG21 THR B 12 100.810 74.129 46.896 1.00 0.00 H new ATOM 0 HG22 THR B 12 100.667 72.425 46.404 1.00 0.00 H new ATOM 0 HG23 THR B 12 101.825 72.891 47.673 1.00 0.00 H new ATOM 948 N GLU B 13 101.757 71.336 43.669 1.00 0.00 N ATOM 949 CA GLU B 13 100.858 70.350 43.001 1.00 0.00 C ATOM 950 C GLU B 13 101.546 68.985 42.899 1.00 0.00 C ATOM 951 O GLU B 13 100.988 67.970 43.265 1.00 0.00 O ATOM 952 CB GLU B 13 100.604 70.928 41.608 1.00 0.00 C ATOM 953 CG GLU B 13 99.200 70.538 41.142 1.00 0.00 C ATOM 954 CD GLU B 13 99.052 70.842 39.650 1.00 0.00 C ATOM 955 OE1 GLU B 13 99.145 72.005 39.291 1.00 0.00 O ATOM 956 OE2 GLU B 13 98.851 69.908 38.893 1.00 0.00 O ATOM 0 H GLU B 13 101.901 72.207 43.158 1.00 0.00 H new ATOM 0 HA GLU B 13 99.932 70.196 43.555 1.00 0.00 H new ATOM 0 HB2 GLU B 13 100.703 72.013 41.629 1.00 0.00 H new ATOM 0 HB3 GLU B 13 101.349 70.554 40.906 1.00 0.00 H new ATOM 0 HG2 GLU B 13 99.026 69.478 41.327 1.00 0.00 H new ATOM 0 HG3 GLU B 13 98.451 71.088 41.712 1.00 0.00 H new ATOM 963 N LEU B 14 102.753 68.953 42.404 1.00 0.00 N ATOM 964 CA LEU B 14 103.474 67.654 42.278 1.00 0.00 C ATOM 965 C LEU B 14 103.480 66.915 43.619 1.00 0.00 C ATOM 966 O LEU B 14 103.086 65.768 43.709 1.00 0.00 O ATOM 967 CB LEU B 14 104.897 68.030 41.868 1.00 0.00 C ATOM 968 CG LEU B 14 105.070 67.817 40.364 1.00 0.00 C ATOM 969 CD1 LEU B 14 104.520 69.028 39.609 1.00 0.00 C ATOM 970 CD2 LEU B 14 106.556 67.648 40.041 1.00 0.00 C ATOM 0 H LEU B 14 103.271 69.770 42.081 1.00 0.00 H new ATOM 0 HA LEU B 14 103.001 66.990 41.554 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.097 69.071 42.124 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.617 67.423 42.417 1.00 0.00 H new ATOM 0 HG LEU B 14 104.527 66.922 40.060 1.00 0.00 H new ATOM 0 HD11 LEU B 14 104.644 68.875 38.537 1.00 0.00 H new ATOM 0 HD12 LEU B 14 103.461 69.150 39.838 1.00 0.00 H new ATOM 0 HD13 LEU B 14 105.062 69.923 39.913 1.00 0.00 H new ATOM 0 HD21 LEU B 14 106.680 67.496 38.969 1.00 0.00 H new ATOM 0 HD22 LEU B 14 107.099 68.543 40.346 1.00 0.00 H new ATOM 0 HD23 LEU B 14 106.949 66.785 40.578 1.00 0.00 H new ATOM 982 N LEU B 15 103.927 67.560 44.661 1.00 0.00 N ATOM 983 CA LEU B 15 103.963 66.893 45.994 1.00 0.00 C ATOM 984 C LEU B 15 102.542 66.588 46.477 1.00 0.00 C ATOM 985 O LEU B 15 102.229 65.473 46.842 1.00 0.00 O ATOM 986 CB LEU B 15 104.647 67.900 46.921 1.00 0.00 C ATOM 987 CG LEU B 15 106.164 67.710 46.856 1.00 0.00 C ATOM 988 CD1 LEU B 15 106.525 66.305 47.341 1.00 0.00 C ATOM 989 CD2 LEU B 15 106.641 67.885 45.411 1.00 0.00 C ATOM 0 H LEU B 15 104.269 68.521 44.647 1.00 0.00 H new ATOM 0 HA LEU B 15 104.493 65.941 45.965 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.385 68.916 46.627 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.297 67.764 47.944 1.00 0.00 H new ATOM 0 HG LEU B 15 106.648 68.451 47.492 1.00 0.00 H new ATOM 0 HD11 LEU B 15 107.606 66.170 47.294 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.187 66.177 48.370 1.00 0.00 H new ATOM 0 HD13 LEU B 15 106.039 65.565 46.705 1.00 0.00 H new ATOM 0 HD21 LEU B 15 107.722 67.750 45.366 1.00 0.00 H new ATOM 0 HD22 LEU B 15 106.155 67.145 44.775 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.386 68.886 45.062 1.00 0.00 H new ATOM 1001 N GLN B 16 101.676 67.567 46.480 1.00 0.00 N ATOM 1002 CA GLN B 16 100.277 67.317 46.938 1.00 0.00 C ATOM 1003 C GLN B 16 99.685 66.127 46.179 1.00 0.00 C ATOM 1004 O GLN B 16 98.899 65.369 46.708 1.00 0.00 O ATOM 1005 CB GLN B 16 99.514 68.600 46.609 1.00 0.00 C ATOM 1006 CG GLN B 16 98.711 69.044 47.835 1.00 0.00 C ATOM 1007 CD GLN B 16 97.927 70.315 47.502 1.00 0.00 C ATOM 1008 OE1 GLN B 16 96.763 70.251 47.159 1.00 0.00 O ATOM 1009 NE2 GLN B 16 98.519 71.474 47.591 1.00 0.00 N ATOM 0 H GLN B 16 101.875 68.524 46.187 1.00 0.00 H new ATOM 0 HA GLN B 16 100.224 67.078 48.000 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.211 69.385 46.313 1.00 0.00 H new ATOM 0 HB3 GLN B 16 98.846 68.432 45.764 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.027 68.252 48.141 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.382 69.228 48.675 1.00 0.00 H new ATOM 0 HE21 GLN B 16 99.496 71.527 47.879 1.00 0.00 H new ATOM 0 HE22 GLN B 16 98.005 72.327 47.373 1.00 0.00 H new ATOM 1018 N GLY B 17 100.068 65.952 44.943 1.00 0.00 N ATOM 1019 CA GLY B 17 99.536 64.804 44.157 1.00 0.00 C ATOM 1020 C GLY B 17 99.899 63.503 44.872 1.00 0.00 C ATOM 1021 O GLY B 17 99.045 62.705 45.202 1.00 0.00 O ATOM 0 H GLY B 17 100.725 66.553 44.445 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.454 64.888 44.053 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.954 64.810 43.151 1.00 0.00 H new ATOM 1025 N TYR B 18 101.165 63.290 45.126 1.00 0.00 N ATOM 1026 CA TYR B 18 101.595 62.047 45.831 1.00 0.00 C ATOM 1027 C TYR B 18 100.733 61.813 47.075 1.00 0.00 C ATOM 1028 O TYR B 18 100.286 60.714 47.339 1.00 0.00 O ATOM 1029 CB TYR B 18 103.045 62.316 46.235 1.00 0.00 C ATOM 1030 CG TYR B 18 103.848 61.045 46.121 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.783 60.275 44.941 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.664 60.627 47.196 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.535 59.083 44.832 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.417 59.437 47.089 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.352 58.665 45.907 1.00 0.00 C ATOM 1036 OH TYR B 18 106.088 57.501 45.802 1.00 0.00 O ATOM 0 H TYR B 18 101.921 63.926 44.874 1.00 0.00 H new ATOM 0 HA TYR B 18 101.494 61.160 45.205 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.474 63.087 45.595 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.084 62.692 47.257 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.158 60.596 44.121 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.712 61.217 48.099 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.485 58.493 43.929 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.042 59.117 47.910 1.00 0.00 H new ATOM 0 HH TYR B 18 105.653 56.895 45.166 1.00 0.00 H new ATOM 1046 N THR B 19 100.496 62.844 47.837 1.00 0.00 N ATOM 1047 CA THR B 19 99.664 62.694 49.063 1.00 0.00 C ATOM 1048 C THR B 19 98.299 62.096 48.708 1.00 0.00 C ATOM 1049 O THR B 19 97.747 61.302 49.444 1.00 0.00 O ATOM 1050 CB THR B 19 99.509 64.117 49.600 1.00 0.00 C ATOM 1051 OG1 THR B 19 100.790 64.642 49.920 1.00 0.00 O ATOM 1052 CG2 THR B 19 98.635 64.106 50.854 1.00 0.00 C ATOM 0 H THR B 19 100.844 63.787 47.663 1.00 0.00 H new ATOM 0 HA THR B 19 100.116 62.026 49.796 1.00 0.00 H new ATOM 0 HB THR B 19 99.037 64.739 48.840 1.00 0.00 H new ATOM 0 HG1 THR B 19 100.693 65.555 50.263 1.00 0.00 H new ATOM 0 HG21 THR B 19 98.528 65.123 51.232 1.00 0.00 H new ATOM 0 HG22 THR B 19 97.652 63.705 50.609 1.00 0.00 H new ATOM 0 HG23 THR B 19 99.101 63.482 51.617 1.00 0.00 H new ATOM 1060 N VAL B 20 97.750 62.475 47.586 1.00 0.00 N ATOM 1061 CA VAL B 20 96.419 61.933 47.184 1.00 0.00 C ATOM 1062 C VAL B 20 96.566 60.539 46.566 1.00 0.00 C ATOM 1063 O VAL B 20 95.652 59.738 46.597 1.00 0.00 O ATOM 1064 CB VAL B 20 95.886 62.923 46.149 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.542 62.429 45.613 1.00 0.00 C ATOM 1066 CG2 VAL B 20 95.700 64.294 46.805 1.00 0.00 C ATOM 0 H VAL B 20 98.165 63.136 46.930 1.00 0.00 H new ATOM 0 HA VAL B 20 95.748 61.827 48.036 1.00 0.00 H new ATOM 0 HB VAL B 20 96.596 63.005 45.326 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.163 63.136 44.875 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.673 61.453 45.147 1.00 0.00 H new ATOM 0 HG13 VAL B 20 93.831 62.346 46.435 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.320 65.001 46.068 1.00 0.00 H new ATOM 0 HG22 VAL B 20 94.990 64.210 47.628 1.00 0.00 H new ATOM 0 HG23 VAL B 20 96.658 64.648 47.187 1.00 0.00 H new ATOM 1076 N GLU B 21 97.706 60.237 46.006 1.00 0.00 N ATOM 1077 CA GLU B 21 97.895 58.885 45.389 1.00 0.00 C ATOM 1078 C GLU B 21 98.337 57.901 46.466 1.00 0.00 C ATOM 1079 O GLU B 21 97.700 56.897 46.714 1.00 0.00 O ATOM 1080 CB GLU B 21 99.015 59.009 44.333 1.00 0.00 C ATOM 1081 CG GLU B 21 99.049 60.406 43.707 1.00 0.00 C ATOM 1082 CD GLU B 21 99.295 60.288 42.202 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.467 59.695 41.530 1.00 0.00 O ATOM 1084 OE2 GLU B 21 100.308 60.794 41.746 1.00 0.00 O ATOM 0 H GLU B 21 98.511 60.860 45.947 1.00 0.00 H new ATOM 0 HA GLU B 21 96.968 58.533 44.936 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.978 58.794 44.796 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.864 58.264 43.552 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.107 60.922 43.892 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.835 61.003 44.169 1.00 0.00 H new ATOM 1091 N VAL B 22 99.434 58.192 47.104 1.00 0.00 N ATOM 1092 CA VAL B 22 99.947 57.292 48.170 1.00 0.00 C ATOM 1093 C VAL B 22 98.847 57.003 49.195 1.00 0.00 C ATOM 1094 O VAL B 22 98.769 55.924 49.747 1.00 0.00 O ATOM 1095 CB VAL B 22 101.099 58.066 48.815 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.790 57.178 49.841 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.113 58.473 47.741 1.00 0.00 C ATOM 0 H VAL B 22 100.001 59.022 46.931 1.00 0.00 H new ATOM 0 HA VAL B 22 100.272 56.328 47.779 1.00 0.00 H new ATOM 0 HB VAL B 22 100.706 58.959 49.301 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.611 57.726 50.302 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.074 56.883 50.608 1.00 0.00 H new ATOM 0 HG13 VAL B 22 102.180 56.288 49.348 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.932 59.024 48.204 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.506 57.580 47.254 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.624 59.105 47.000 1.00 0.00 H new ATOM 1107 N LEU B 23 97.990 57.956 49.449 1.00 0.00 N ATOM 1108 CA LEU B 23 96.895 57.726 50.434 1.00 0.00 C ATOM 1109 C LEU B 23 95.784 56.887 49.795 1.00 0.00 C ATOM 1110 O LEU B 23 95.144 56.087 50.449 1.00 0.00 O ATOM 1111 CB LEU B 23 96.379 59.121 50.789 1.00 0.00 C ATOM 1112 CG LEU B 23 95.551 59.046 52.073 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.482 59.096 53.285 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.583 60.230 52.124 1.00 0.00 C ATOM 0 H LEU B 23 98.001 58.881 49.018 1.00 0.00 H new ATOM 0 HA LEU B 23 97.237 57.185 51.316 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.216 59.807 50.922 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.771 59.514 49.974 1.00 0.00 H new ATOM 0 HG LEU B 23 94.987 58.113 52.088 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.892 59.043 54.200 1.00 0.00 H new ATOM 0 HD12 LEU B 23 97.172 58.253 53.249 1.00 0.00 H new ATOM 0 HD13 LEU B 23 97.047 60.028 53.272 1.00 0.00 H new ATOM 0 HD21 LEU B 23 93.992 60.178 53.039 1.00 0.00 H new ATOM 0 HD22 LEU B 23 95.147 61.162 52.109 1.00 0.00 H new ATOM 0 HD23 LEU B 23 93.919 60.194 51.260 1.00 0.00 H new ATOM 1126 N ARG B 24 95.553 57.061 48.522 1.00 0.00 N ATOM 1127 CA ARG B 24 94.486 56.270 47.843 1.00 0.00 C ATOM 1128 C ARG B 24 95.022 54.890 47.452 1.00 0.00 C ATOM 1129 O ARG B 24 94.593 53.878 47.970 1.00 0.00 O ATOM 1130 CB ARG B 24 94.123 57.078 46.595 1.00 0.00 C ATOM 1131 CG ARG B 24 92.978 56.384 45.854 1.00 0.00 C ATOM 1132 CD ARG B 24 91.753 57.301 45.830 1.00 0.00 C ATOM 1133 NE ARG B 24 91.002 56.905 44.606 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.752 57.256 44.464 1.00 0.00 C ATOM 1135 NH1 ARG B 24 88.885 56.973 45.397 1.00 0.00 N ATOM 1136 NH2 ARG B 24 89.371 57.886 43.387 1.00 0.00 N ATOM 0 H ARG B 24 96.056 57.716 47.923 1.00 0.00 H new ATOM 0 HA ARG B 24 93.621 56.106 48.486 1.00 0.00 H new ATOM 0 HB2 ARG B 24 93.829 58.089 46.876 1.00 0.00 H new ATOM 0 HB3 ARG B 24 94.991 57.169 45.942 1.00 0.00 H new ATOM 0 HG2 ARG B 24 93.284 56.142 44.836 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.731 55.443 46.345 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.145 57.172 46.726 1.00 0.00 H new ATOM 0 HD3 ARG B 24 92.046 58.350 45.792 1.00 0.00 H new ATOM 0 HE ARG B 24 91.464 56.360 43.878 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.183 56.478 46.237 1.00 0.00 H new ATOM 0 HH12 ARG B 24 87.909 57.247 45.286 1.00 0.00 H new ATOM 0 HH21 ARG B 24 90.049 58.104 42.657 1.00 0.00 H new ATOM 0 HH22 ARG B 24 88.395 58.161 43.275 1.00 0.00 H new ATOM 1150 N GLN B 25 95.959 54.841 46.545 1.00 0.00 N ATOM 1151 CA GLN B 25 96.523 53.525 46.126 1.00 0.00 C ATOM 1152 C GLN B 25 97.009 52.750 47.353 1.00 0.00 C ATOM 1153 O GLN B 25 96.818 51.556 47.463 1.00 0.00 O ATOM 1154 CB GLN B 25 97.697 53.869 45.208 1.00 0.00 C ATOM 1155 CG GLN B 25 97.223 53.885 43.754 1.00 0.00 C ATOM 1156 CD GLN B 25 96.596 55.244 43.436 1.00 0.00 C ATOM 1157 OE1 GLN B 25 95.510 55.546 43.888 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.242 56.083 42.672 1.00 0.00 N ATOM 0 H GLN B 25 96.358 55.654 46.076 1.00 0.00 H new ATOM 0 HA GLN B 25 95.786 52.899 45.623 1.00 0.00 H new ATOM 0 HB2 GLN B 25 98.110 54.841 45.477 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.496 53.138 45.333 1.00 0.00 H new ATOM 0 HG2 GLN B 25 98.062 53.694 43.085 1.00 0.00 H new ATOM 0 HG3 GLN B 25 96.496 53.090 43.589 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.154 55.829 42.293 1.00 0.00 H new ATOM 0 HE22 GLN B 25 96.835 56.992 42.455 1.00 0.00 H new ATOM 1167 N GLN B 26 97.635 53.426 48.275 1.00 0.00 N ATOM 1168 CA GLN B 26 98.135 52.738 49.500 1.00 0.00 C ATOM 1169 C GLN B 26 99.014 51.540 49.117 1.00 0.00 C ATOM 1170 O GLN B 26 98.749 50.425 49.522 1.00 0.00 O ATOM 1171 CB GLN B 26 96.876 52.273 50.234 1.00 0.00 C ATOM 1172 CG GLN B 26 96.737 53.046 51.546 1.00 0.00 C ATOM 1173 CD GLN B 26 97.153 52.148 52.714 1.00 0.00 C ATOM 1174 OE1 GLN B 26 98.105 51.399 52.609 1.00 0.00 O ATOM 1175 NE2 GLN B 26 96.477 52.192 53.828 1.00 0.00 N ATOM 0 H GLN B 26 97.823 54.428 48.234 1.00 0.00 H new ATOM 0 HA GLN B 26 98.749 53.392 50.120 1.00 0.00 H new ATOM 0 HB2 GLN B 26 95.997 52.434 49.609 1.00 0.00 H new ATOM 0 HB3 GLN B 26 96.933 51.203 50.434 1.00 0.00 H new ATOM 0 HG2 GLN B 26 97.360 53.940 51.521 1.00 0.00 H new ATOM 0 HG3 GLN B 26 95.707 53.378 51.677 1.00 0.00 H new ATOM 0 HE21 GLN B 26 95.678 52.821 53.915 1.00 0.00 H new ATOM 0 HE22 GLN B 26 96.747 51.598 54.612 1.00 0.00 H new ATOM 1184 N PRO B 27 100.040 51.807 48.347 1.00 0.00 N ATOM 1185 CA PRO B 27 100.962 50.727 47.916 1.00 0.00 C ATOM 1186 C PRO B 27 101.814 50.250 49.100 1.00 0.00 C ATOM 1187 O PRO B 27 102.087 51.011 50.006 1.00 0.00 O ATOM 1188 CB PRO B 27 101.831 51.399 46.855 1.00 0.00 C ATOM 1189 CG PRO B 27 101.783 52.855 47.185 1.00 0.00 C ATOM 1190 CD PRO B 27 100.438 53.116 47.810 1.00 0.00 C ATOM 0 HA PRO B 27 100.445 49.845 47.538 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.853 51.021 46.884 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.449 51.208 45.852 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.586 53.122 47.871 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.916 53.459 46.288 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.502 53.868 48.596 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.720 53.482 47.076 1.00 0.00 H new ATOM 1198 N PRO B 28 102.211 49.002 49.053 1.00 0.00 N ATOM 1199 CA PRO B 28 103.043 48.433 50.142 1.00 0.00 C ATOM 1200 C PRO B 28 104.453 49.029 50.101 1.00 0.00 C ATOM 1201 O PRO B 28 105.121 49.136 51.110 1.00 0.00 O ATOM 1202 CB PRO B 28 103.072 46.939 49.830 1.00 0.00 C ATOM 1203 CG PRO B 28 102.815 46.849 48.360 1.00 0.00 C ATOM 1204 CD PRO B 28 101.933 48.014 48.002 1.00 0.00 C ATOM 0 HA PRO B 28 102.652 48.645 51.137 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.035 46.499 50.091 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.312 46.402 50.398 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.750 46.886 47.801 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.330 45.905 48.109 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.170 48.405 47.013 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.881 47.730 47.989 1.00 0.00 H new ATOM 1212 N ASP B 29 104.907 49.419 48.941 1.00 0.00 N ATOM 1213 CA ASP B 29 106.271 50.011 48.834 1.00 0.00 C ATOM 1214 C ASP B 29 106.194 51.391 48.177 1.00 0.00 C ATOM 1215 O ASP B 29 105.743 51.533 47.058 1.00 0.00 O ATOM 1216 CB ASP B 29 107.056 49.038 47.954 1.00 0.00 C ATOM 1217 CG ASP B 29 107.581 47.884 48.811 1.00 0.00 C ATOM 1218 OD1 ASP B 29 106.765 47.155 49.350 1.00 0.00 O ATOM 1219 OD2 ASP B 29 108.789 47.750 48.914 1.00 0.00 O ATOM 0 H ASP B 29 104.392 49.353 48.063 1.00 0.00 H new ATOM 0 HA ASP B 29 106.742 50.148 49.807 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.417 48.653 47.159 1.00 0.00 H new ATOM 0 HB3 ASP B 29 107.886 49.555 47.473 1.00 0.00 H new ATOM 1224 N LEU B 30 106.631 52.410 48.865 1.00 0.00 N ATOM 1225 CA LEU B 30 106.580 53.782 48.281 1.00 0.00 C ATOM 1226 C LEU B 30 107.795 54.019 47.380 1.00 0.00 C ATOM 1227 O LEU B 30 107.703 54.668 46.357 1.00 0.00 O ATOM 1228 CB LEU B 30 106.612 54.722 49.486 1.00 0.00 C ATOM 1229 CG LEU B 30 106.454 56.166 49.010 1.00 0.00 C ATOM 1230 CD1 LEU B 30 104.968 56.499 48.873 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.096 57.109 50.030 1.00 0.00 C ATOM 0 H LEU B 30 107.021 52.353 49.806 1.00 0.00 H new ATOM 0 HA LEU B 30 105.695 53.938 47.664 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.812 54.467 50.181 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.552 54.607 50.026 1.00 0.00 H new ATOM 0 HG LEU B 30 106.943 56.286 48.043 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.856 57.529 48.534 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.510 55.826 48.148 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.478 56.380 49.839 1.00 0.00 H new ATOM 0 HD21 LEU B 30 106.985 58.140 49.693 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.606 56.988 50.996 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.155 56.872 50.128 1.00 0.00 H new ATOM 1243 N VAL B 31 108.932 53.494 47.749 1.00 0.00 N ATOM 1244 CA VAL B 31 110.153 53.685 46.912 1.00 0.00 C ATOM 1245 C VAL B 31 109.858 53.307 45.461 1.00 0.00 C ATOM 1246 O VAL B 31 109.913 54.128 44.566 1.00 0.00 O ATOM 1247 CB VAL B 31 111.191 52.733 47.504 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.526 52.913 46.778 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.374 53.044 48.991 1.00 0.00 C ATOM 0 H VAL B 31 109.069 52.940 48.595 1.00 0.00 H new ATOM 0 HA VAL B 31 110.497 54.719 46.913 1.00 0.00 H new ATOM 0 HB VAL B 31 110.850 51.705 47.384 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.265 52.233 47.202 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.396 52.693 45.718 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.869 53.941 46.896 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.114 52.366 49.416 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.714 54.073 49.108 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.424 52.915 49.509 1.00 0.00 H new ATOM 1259 N ASP B 32 109.543 52.066 45.225 1.00 0.00 N ATOM 1260 CA ASP B 32 109.239 51.622 43.839 1.00 0.00 C ATOM 1261 C ASP B 32 108.067 52.427 43.272 1.00 0.00 C ATOM 1262 O ASP B 32 108.029 52.745 42.101 1.00 0.00 O ATOM 1263 CB ASP B 32 108.869 50.147 43.983 1.00 0.00 C ATOM 1264 CG ASP B 32 109.387 49.367 42.772 1.00 0.00 C ATOM 1265 OD1 ASP B 32 110.479 49.672 42.319 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.685 48.479 42.318 1.00 0.00 O ATOM 0 H ASP B 32 109.483 51.337 45.936 1.00 0.00 H new ATOM 0 HA ASP B 32 110.076 51.769 43.156 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.298 49.742 44.900 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.787 50.039 44.062 1.00 0.00 H new ATOM 1271 N PHE B 33 107.112 52.765 44.096 1.00 0.00 N ATOM 1272 CA PHE B 33 105.950 53.556 43.600 1.00 0.00 C ATOM 1273 C PHE B 33 106.413 54.954 43.185 1.00 0.00 C ATOM 1274 O PHE B 33 106.018 55.472 42.159 1.00 0.00 O ATOM 1275 CB PHE B 33 104.988 53.645 44.786 1.00 0.00 C ATOM 1276 CG PHE B 33 103.786 54.472 44.393 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.889 53.992 43.414 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.562 55.728 45.002 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.767 54.765 43.044 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.440 56.502 44.630 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.542 56.021 43.652 1.00 0.00 C ATOM 0 H PHE B 33 107.086 52.528 45.088 1.00 0.00 H new ATOM 0 HA PHE B 33 105.479 53.098 42.730 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.673 52.647 45.089 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.489 54.095 45.643 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.061 53.033 42.948 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.248 56.096 45.751 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.080 54.397 42.296 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.269 57.462 45.094 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.684 56.612 43.369 1.00 0.00 H new ATOM 1291 N ALA B 34 107.250 55.566 43.976 1.00 0.00 N ATOM 1292 CA ALA B 34 107.743 56.931 43.634 1.00 0.00 C ATOM 1293 C ALA B 34 108.470 56.910 42.286 1.00 0.00 C ATOM 1294 O ALA B 34 108.401 57.851 41.519 1.00 0.00 O ATOM 1295 CB ALA B 34 108.712 57.292 44.760 1.00 0.00 C ATOM 0 H ALA B 34 107.615 55.179 44.846 1.00 0.00 H new ATOM 0 HA ALA B 34 106.932 57.654 43.545 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.121 58.287 44.583 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.183 57.282 45.713 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.524 56.565 44.788 1.00 0.00 H new ATOM 1301 N VAL B 35 109.169 55.847 41.991 1.00 0.00 N ATOM 1302 CA VAL B 35 109.899 55.769 40.699 1.00 0.00 C ATOM 1303 C VAL B 35 108.919 55.530 39.547 1.00 0.00 C ATOM 1304 O VAL B 35 108.997 56.164 38.513 1.00 0.00 O ATOM 1305 CB VAL B 35 110.839 54.576 40.866 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.572 54.317 39.554 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.858 54.882 41.966 1.00 0.00 C ATOM 0 H VAL B 35 109.264 55.029 42.593 1.00 0.00 H new ATOM 0 HA VAL B 35 110.435 56.688 40.464 1.00 0.00 H new ATOM 0 HB VAL B 35 110.261 53.693 41.139 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.242 53.466 39.674 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.847 54.101 38.769 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.151 55.199 39.280 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.530 54.032 42.087 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.436 55.765 41.692 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.336 55.068 42.904 1.00 0.00 H new ATOM 1317 N GLU B 36 107.998 54.621 39.716 1.00 0.00 N ATOM 1318 CA GLU B 36 107.017 54.342 38.628 1.00 0.00 C ATOM 1319 C GLU B 36 106.105 55.553 38.411 1.00 0.00 C ATOM 1320 O GLU B 36 105.497 55.704 37.369 1.00 0.00 O ATOM 1321 CB GLU B 36 106.209 53.142 39.125 1.00 0.00 C ATOM 1322 CG GLU B 36 107.133 51.933 39.283 1.00 0.00 C ATOM 1323 CD GLU B 36 106.826 50.906 38.192 1.00 0.00 C ATOM 1324 OE1 GLU B 36 105.658 50.609 37.998 1.00 0.00 O ATOM 1325 OE2 GLU B 36 107.763 50.435 37.570 1.00 0.00 O ATOM 0 H GLU B 36 107.882 54.060 40.560 1.00 0.00 H new ATOM 0 HA GLU B 36 107.504 54.140 37.674 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.736 53.378 40.078 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.409 52.912 38.421 1.00 0.00 H new ATOM 0 HG2 GLU B 36 108.175 52.248 39.217 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.997 51.485 40.267 1.00 0.00 H new ATOM 1332 N TYR B 37 106.003 56.418 39.384 1.00 0.00 N ATOM 1333 CA TYR B 37 105.128 57.615 39.228 1.00 0.00 C ATOM 1334 C TYR B 37 105.809 58.661 38.339 1.00 0.00 C ATOM 1335 O TYR B 37 105.410 58.887 37.213 1.00 0.00 O ATOM 1336 CB TYR B 37 104.941 58.156 40.648 1.00 0.00 C ATOM 1337 CG TYR B 37 104.154 59.445 40.603 1.00 0.00 C ATOM 1338 CD1 TYR B 37 103.012 59.550 39.777 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.560 60.547 41.389 1.00 0.00 C ATOM 1340 CE1 TYR B 37 102.277 60.757 39.737 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.826 61.754 41.348 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.684 61.858 40.523 1.00 0.00 C ATOM 1343 OH TYR B 37 101.967 63.036 40.483 1.00 0.00 O ATOM 0 H TYR B 37 106.487 56.347 40.279 1.00 0.00 H new ATOM 0 HA TYR B 37 104.177 57.371 38.755 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.419 57.421 41.261 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.912 58.328 41.113 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.701 58.708 39.176 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.432 60.467 42.021 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.404 60.837 39.106 1.00 0.00 H new ATOM 0 HE2 TYR B 37 104.138 62.597 41.947 1.00 0.00 H new ATOM 0 HH TYR B 37 102.381 63.691 41.083 1.00 0.00 H new ATOM 1353 N PHE B 38 106.830 59.303 38.836 1.00 0.00 N ATOM 1354 CA PHE B 38 107.531 60.337 38.019 1.00 0.00 C ATOM 1355 C PHE B 38 108.014 59.736 36.696 1.00 0.00 C ATOM 1356 O PHE B 38 107.822 60.306 35.640 1.00 0.00 O ATOM 1357 CB PHE B 38 108.717 60.780 38.875 1.00 0.00 C ATOM 1358 CG PHE B 38 108.217 61.603 40.038 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.498 62.796 39.800 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.468 61.180 41.362 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.029 63.567 40.888 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.999 61.952 42.450 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.280 63.144 42.212 1.00 0.00 C ATOM 0 H PHE B 38 107.210 59.158 39.771 1.00 0.00 H new ATOM 0 HA PHE B 38 106.878 61.172 37.763 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.262 59.909 39.239 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.414 61.364 38.275 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.307 63.119 38.787 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.017 60.268 41.543 1.00 0.00 H new ATOM 0 HE1 PHE B 38 106.479 64.479 40.707 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.191 61.630 43.463 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.922 63.733 43.043 1.00 0.00 H new ATOM 1373 N THR B 39 108.640 58.592 36.742 1.00 0.00 N ATOM 1374 CA THR B 39 109.133 57.961 35.481 1.00 0.00 C ATOM 1375 C THR B 39 108.003 57.877 34.452 1.00 0.00 C ATOM 1376 O THR B 39 108.192 58.153 33.284 1.00 0.00 O ATOM 1377 CB THR B 39 109.593 56.560 35.891 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.663 56.668 36.821 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.065 55.793 34.654 1.00 0.00 C ATOM 0 H THR B 39 108.832 58.067 37.595 1.00 0.00 H new ATOM 0 HA THR B 39 109.937 58.535 35.020 1.00 0.00 H new ATOM 0 HB THR B 39 108.763 56.025 36.352 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.454 56.144 37.622 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.392 54.796 34.947 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.244 55.711 33.942 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.895 56.326 34.191 1.00 0.00 H new ATOM 1387 N ARG B 40 106.829 57.499 34.877 1.00 0.00 N ATOM 1388 CA ARG B 40 105.687 57.402 33.923 1.00 0.00 C ATOM 1389 C ARG B 40 105.175 58.801 33.573 1.00 0.00 C ATOM 1390 O ARG B 40 104.574 59.012 32.538 1.00 0.00 O ATOM 1391 CB ARG B 40 104.614 56.608 34.670 1.00 0.00 C ATOM 1392 CG ARG B 40 104.875 55.110 34.498 1.00 0.00 C ATOM 1393 CD ARG B 40 103.542 54.370 34.375 1.00 0.00 C ATOM 1394 NE ARG B 40 103.912 52.947 34.138 1.00 0.00 N ATOM 1395 CZ ARG B 40 103.242 52.233 33.274 1.00 0.00 C ATOM 1396 NH1 ARG B 40 103.438 52.403 31.995 1.00 0.00 N ATOM 1397 NH2 ARG B 40 102.375 51.350 33.689 1.00 0.00 N ATOM 0 H ARG B 40 106.611 57.253 35.843 1.00 0.00 H new ATOM 0 HA ARG B 40 105.969 56.922 32.986 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.623 56.870 35.728 1.00 0.00 H new ATOM 0 HB3 ARG B 40 103.626 56.862 34.287 1.00 0.00 H new ATOM 0 HG2 ARG B 40 105.483 54.936 33.610 1.00 0.00 H new ATOM 0 HG3 ARG B 40 105.438 54.728 35.350 1.00 0.00 H new ATOM 0 HD2 ARG B 40 102.946 54.477 35.281 1.00 0.00 H new ATOM 0 HD3 ARG B 40 102.946 54.765 33.553 1.00 0.00 H new ATOM 0 HE ARG B 40 104.689 52.530 34.651 1.00 0.00 H new ATOM 0 HH11 ARG B 40 104.115 53.094 31.670 1.00 0.00 H new ATOM 0 HH12 ARG B 40 102.915 51.845 31.320 1.00 0.00 H new ATOM 0 HH21 ARG B 40 102.221 51.218 34.689 1.00 0.00 H new ATOM 0 HH22 ARG B 40 101.852 50.792 33.014 1.00 0.00 H new ATOM 1411 N LEU B 41 105.412 59.761 34.426 1.00 0.00 N ATOM 1412 CA LEU B 41 104.941 61.146 34.139 1.00 0.00 C ATOM 1413 C LEU B 41 105.641 61.691 32.891 1.00 0.00 C ATOM 1414 O LEU B 41 105.076 62.456 32.135 1.00 0.00 O ATOM 1415 CB LEU B 41 105.327 61.962 35.374 1.00 0.00 C ATOM 1416 CG LEU B 41 104.101 62.715 35.892 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.397 61.875 36.960 1.00 0.00 C ATOM 1418 CD2 LEU B 41 104.541 64.048 36.500 1.00 0.00 C ATOM 0 H LEU B 41 105.911 59.646 35.308 1.00 0.00 H new ATOM 0 HA LEU B 41 103.869 61.187 33.946 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.717 61.304 36.150 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.121 62.666 35.124 1.00 0.00 H new ATOM 0 HG LEU B 41 103.414 62.900 35.066 1.00 0.00 H new ATOM 0 HD11 LEU B 41 102.523 62.413 37.328 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.083 60.925 36.527 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.083 61.688 37.786 1.00 0.00 H new ATOM 0 HD21 LEU B 41 103.668 64.585 36.869 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.229 63.862 37.325 1.00 0.00 H new ATOM 0 HD23 LEU B 41 105.041 64.648 35.739 1.00 0.00 H new ATOM 1430 N ARG B 42 106.867 61.302 32.668 1.00 0.00 N ATOM 1431 CA ARG B 42 107.601 61.795 31.468 1.00 0.00 C ATOM 1432 C ARG B 42 106.775 61.534 30.205 1.00 0.00 C ATOM 1433 O ARG B 42 106.861 62.257 29.232 1.00 0.00 O ATOM 1434 CB ARG B 42 108.899 60.987 31.436 1.00 0.00 C ATOM 1435 CG ARG B 42 110.096 61.931 31.579 1.00 0.00 C ATOM 1436 CD ARG B 42 110.874 61.585 32.850 1.00 0.00 C ATOM 1437 NE ARG B 42 112.250 61.265 32.382 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.657 60.025 32.349 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.235 59.500 33.395 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.486 59.311 31.271 1.00 0.00 N ATOM 0 H ARG B 42 107.392 60.664 33.266 1.00 0.00 H new ATOM 0 HA ARG B 42 107.792 62.867 31.510 1.00 0.00 H new ATOM 0 HB2 ARG B 42 108.903 60.254 32.243 1.00 0.00 H new ATOM 0 HB3 ARG B 42 108.971 60.432 30.501 1.00 0.00 H new ATOM 0 HG2 ARG B 42 110.746 61.845 30.708 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.754 62.965 31.620 1.00 0.00 H new ATOM 0 HD2 ARG B 42 110.879 62.421 33.550 1.00 0.00 H new ATOM 0 HD3 ARG B 42 110.426 60.737 33.369 1.00 0.00 H new ATOM 0 HE ARG B 42 112.875 62.015 32.087 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.369 60.059 34.238 1.00 0.00 H new ATOM 0 HH12 ARG B 42 113.553 58.531 33.369 1.00 0.00 H new ATOM 0 HH21 ARG B 42 112.034 59.721 30.454 1.00 0.00 H new ATOM 0 HH22 ARG B 42 112.804 58.342 31.245 1.00 0.00 H new ATOM 1454 N GLU B 43 105.973 60.504 30.216 1.00 0.00 N ATOM 1455 CA GLU B 43 105.137 60.193 29.021 1.00 0.00 C ATOM 1456 C GLU B 43 103.895 61.088 29.001 1.00 0.00 C ATOM 1457 O GLU B 43 103.302 61.321 27.967 1.00 0.00 O ATOM 1458 CB GLU B 43 104.741 58.726 29.188 1.00 0.00 C ATOM 1459 CG GLU B 43 105.589 57.858 28.256 1.00 0.00 C ATOM 1460 CD GLU B 43 104.680 56.893 27.492 1.00 0.00 C ATOM 1461 OE1 GLU B 43 103.978 57.349 26.605 1.00 0.00 O ATOM 1462 OE2 GLU B 43 104.702 55.714 27.806 1.00 0.00 O ATOM 0 H GLU B 43 105.860 59.864 31.002 1.00 0.00 H new ATOM 0 HA GLU B 43 105.668 60.367 28.085 1.00 0.00 H new ATOM 0 HB2 GLU B 43 104.885 58.415 30.223 1.00 0.00 H new ATOM 0 HB3 GLU B 43 103.683 58.596 28.961 1.00 0.00 H new ATOM 0 HG2 GLU B 43 106.140 58.487 27.556 1.00 0.00 H new ATOM 0 HG3 GLU B 43 106.327 57.300 28.832 1.00 0.00 H new ATOM 1469 N ALA B 44 103.498 61.589 30.139 1.00 0.00 N ATOM 1470 CA ALA B 44 102.295 62.468 30.190 1.00 0.00 C ATOM 1471 C ALA B 44 102.611 63.837 29.594 1.00 0.00 C ATOM 1472 O ALA B 44 102.217 64.158 28.490 1.00 0.00 O ATOM 1473 CB ALA B 44 101.975 62.619 31.677 1.00 0.00 C ATOM 0 H ALA B 44 103.955 61.427 31.036 1.00 0.00 H new ATOM 0 HA ALA B 44 101.464 62.048 29.624 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.098 63.255 31.798 1.00 0.00 H new ATOM 0 HB2 ALA B 44 101.774 61.638 32.107 1.00 0.00 H new ATOM 0 HB3 ALA B 44 102.825 63.072 32.188 1.00 0.00 H new ATOM 1479 N ARG B 45 103.314 64.649 30.331 1.00 0.00 N ATOM 1480 CA ARG B 45 103.662 66.009 29.840 1.00 0.00 C ATOM 1481 C ARG B 45 102.419 66.720 29.294 1.00 0.00 C ATOM 1482 O ARG B 45 101.307 66.440 29.695 1.00 0.00 O ATOM 1483 CB ARG B 45 104.689 65.786 28.730 1.00 0.00 C ATOM 1484 CG ARG B 45 105.907 66.680 28.974 1.00 0.00 C ATOM 1485 CD ARG B 45 106.874 65.975 29.928 1.00 0.00 C ATOM 1486 NE ARG B 45 108.107 66.811 29.911 1.00 0.00 N ATOM 1487 CZ ARG B 45 109.182 66.400 30.527 1.00 0.00 C ATOM 1488 NH1 ARG B 45 109.599 65.175 30.365 1.00 0.00 N ATOM 1489 NH2 ARG B 45 109.837 67.215 31.307 1.00 0.00 N ATOM 0 H ARG B 45 103.666 64.426 31.262 1.00 0.00 H new ATOM 0 HA ARG B 45 104.057 66.640 30.636 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.992 64.739 28.705 1.00 0.00 H new ATOM 0 HB3 ARG B 45 104.247 66.013 27.760 1.00 0.00 H new ATOM 0 HG2 ARG B 45 106.406 66.899 28.030 1.00 0.00 H new ATOM 0 HG3 ARG B 45 105.592 67.634 29.397 1.00 0.00 H new ATOM 0 HD2 ARG B 45 106.457 65.906 30.933 1.00 0.00 H new ATOM 0 HD3 ARG B 45 107.082 64.957 29.598 1.00 0.00 H new ATOM 0 HE ARG B 45 108.111 67.704 29.418 1.00 0.00 H new ATOM 0 HH11 ARG B 45 109.085 64.538 29.757 1.00 0.00 H new ATOM 0 HH12 ARG B 45 110.439 64.854 30.847 1.00 0.00 H new ATOM 0 HH21 ARG B 45 109.509 68.172 31.435 1.00 0.00 H new ATOM 0 HH22 ARG B 45 110.677 66.895 31.789 1.00 0.00 H new ATOM 1503 N ARG B 46 102.599 67.635 28.382 1.00 0.00 N ATOM 1504 CA ARG B 46 101.427 68.361 27.813 1.00 0.00 C ATOM 1505 C ARG B 46 101.058 67.780 26.446 1.00 0.00 C ATOM 1506 O ARG B 46 99.949 67.289 26.313 1.00 0.00 O ATOM 1507 CB ARG B 46 101.892 69.811 27.672 1.00 0.00 C ATOM 1508 CG ARG B 46 101.536 70.588 28.941 1.00 0.00 C ATOM 1509 CD ARG B 46 100.266 71.408 28.700 1.00 0.00 C ATOM 1510 NE ARG B 46 99.899 71.948 30.037 1.00 0.00 N ATOM 1511 CZ ARG B 46 99.174 73.030 30.127 1.00 0.00 C ATOM 1512 NH1 ARG B 46 97.937 73.023 29.712 1.00 0.00 N ATOM 1513 NH2 ARG B 46 99.687 74.117 30.635 1.00 0.00 N ATOM 1514 OXT ARG B 46 101.890 67.837 25.555 1.00 0.00 O ATOM 0 H ARG B 46 103.506 67.912 28.006 1.00 0.00 H new ATOM 0 HA ARG B 46 100.542 68.276 28.443 1.00 0.00 H new ATOM 0 HB2 ARG B 46 102.968 69.844 27.503 1.00 0.00 H new ATOM 0 HB3 ARG B 46 101.419 70.273 26.805 1.00 0.00 H new ATOM 0 HG2 ARG B 46 101.384 69.898 29.771 1.00 0.00 H new ATOM 0 HG3 ARG B 46 102.359 71.246 29.220 1.00 0.00 H new ATOM 0 HD2 ARG B 46 100.444 72.211 27.985 1.00 0.00 H new ATOM 0 HD3 ARG B 46 99.468 70.789 28.291 1.00 0.00 H new ATOM 0 HE ARG B 46 100.214 71.473 30.883 1.00 0.00 H new ATOM 0 HH11 ARG B 46 97.536 72.172 29.317 1.00 0.00 H new ATOM 0 HH12 ARG B 46 97.371 73.868 29.782 1.00 0.00 H new ATOM 0 HH21 ARG B 46 100.653 74.121 30.961 1.00 0.00 H new ATOM 0 HH22 ARG B 46 99.122 74.963 30.706 1.00 0.00 H new TER 1528 ARG B 46