USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=12 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= -0.0298 X(o=-0.03,f=-0.35) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 172:sc= 0 (180deg=-0.0528) USER MOD Single : A 4 HIS : no HD1:sc= -0.637 X(o=-0.64,f=-0.76) 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 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 TYR OH : rot -37:sc= -2.84! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -4.71 K(o=-4.7,f=-9!) USER MOD Single : A 26 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.3!) USER MOD Single : A 37 TYR OH : rot 73:sc= 1.02 USER MOD Single : A 39 THR OG1 : rot 74:sc= -1.5! USER MOD Single : B 1 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=-0.37) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl -117:sc= 0 (180deg=-0.0431) USER MOD Single : B 4 HIS : no HD1:sc= -0.789 X(o=-0.79,f=-0.89) 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 USER MOD Single : B 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 TYR OH : rot -35:sc= -2.72! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN : amide:sc= -4.72 K(o=-4.7,f=-9!) USER MOD Single : B 26 GLN : amide:sc= -0.29 K(o=-0.29,f=-2.2!) USER MOD Single : B 37 TYR OH : rot 79:sc= 1.04 USER MOD Single : B 39 THR OG1 : rot 77:sc= -1.37! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 95.171 46.935 60.370 1.00 0.00 N ATOM 2 CA HIS A 1 94.311 47.425 59.254 1.00 0.00 C ATOM 3 C HIS A 1 92.836 47.169 59.570 1.00 0.00 C ATOM 4 O HIS A 1 92.317 46.096 59.331 1.00 0.00 O ATOM 5 CB HIS A 1 94.747 46.616 58.032 1.00 0.00 C ATOM 6 CG HIS A 1 94.500 47.419 56.786 1.00 0.00 C ATOM 7 ND1 HIS A 1 93.298 48.067 56.551 1.00 0.00 N ATOM 8 CD2 HIS A 1 95.292 47.690 55.697 1.00 0.00 C ATOM 9 CE1 HIS A 1 93.400 48.690 55.362 1.00 0.00 C ATOM 10 NE2 HIS A 1 94.595 48.492 54.800 1.00 0.00 N ATOM 0 H1 HIS A 1 96.170 47.115 60.143 1.00 0.00 H new ATOM 0 H2 HIS A 1 94.920 47.435 61.247 1.00 0.00 H new ATOM 0 H3 HIS A 1 95.024 45.914 60.499 1.00 0.00 H new ATOM 0 HA HIS A 1 94.418 48.497 59.091 1.00 0.00 H new ATOM 0 HB2 HIS A 1 95.804 46.361 58.110 1.00 0.00 H new ATOM 0 HB3 HIS A 1 94.195 45.677 57.988 1.00 0.00 H new ATOM 0 HD2 HIS A 1 96.302 47.334 55.558 1.00 0.00 H new ATOM 0 HE1 HIS A 1 92.611 49.278 54.917 1.00 0.00 H new ATOM 0 HE2 HIS A 1 94.926 48.852 53.905 1.00 0.00 H new ATOM 20 N MET A 2 92.155 48.145 60.104 1.00 0.00 N ATOM 21 CA MET A 2 90.713 47.957 60.435 1.00 0.00 C ATOM 22 C MET A 2 89.927 49.231 60.110 1.00 0.00 C ATOM 23 O MET A 2 88.903 49.507 60.702 1.00 0.00 O ATOM 24 CB MET A 2 90.684 47.678 61.937 1.00 0.00 C ATOM 25 CG MET A 2 89.448 46.844 62.279 1.00 0.00 C ATOM 26 SD MET A 2 89.908 45.525 63.429 1.00 0.00 S ATOM 27 CE MET A 2 90.143 46.568 64.889 1.00 0.00 C ATOM 0 H MET A 2 92.534 49.065 60.326 1.00 0.00 H new ATOM 0 HA MET A 2 90.259 47.148 59.862 1.00 0.00 H new ATOM 0 HB2 MET A 2 91.588 47.147 62.236 1.00 0.00 H new ATOM 0 HB3 MET A 2 90.667 48.616 62.491 1.00 0.00 H new ATOM 0 HG2 MET A 2 88.681 47.477 62.724 1.00 0.00 H new ATOM 0 HG3 MET A 2 89.022 46.417 61.371 1.00 0.00 H new ATOM 0 HE1 MET A 2 90.297 45.938 65.765 1.00 0.00 H new ATOM 0 HE2 MET A 2 91.014 47.206 64.744 1.00 0.00 H new ATOM 0 HE3 MET A 2 89.260 47.189 65.039 1.00 0.00 H new ATOM 37 N GLY A 3 90.401 50.008 59.176 1.00 0.00 N ATOM 38 CA GLY A 3 89.683 51.264 58.815 1.00 0.00 C ATOM 39 C GLY A 3 90.334 52.448 59.531 1.00 0.00 C ATOM 40 O GLY A 3 90.023 52.747 60.667 1.00 0.00 O ATOM 0 H GLY A 3 91.254 49.828 58.647 1.00 0.00 H new ATOM 0 HA2 GLY A 3 89.714 51.416 57.736 1.00 0.00 H new ATOM 0 HA3 GLY A 3 88.633 51.188 59.096 1.00 0.00 H new ATOM 44 N HIS A 4 91.239 53.124 58.877 1.00 0.00 N ATOM 45 CA HIS A 4 91.911 54.288 59.524 1.00 0.00 C ATOM 46 C HIS A 4 92.603 55.155 58.468 1.00 0.00 C ATOM 47 O HIS A 4 93.334 54.664 57.630 1.00 0.00 O ATOM 48 CB HIS A 4 92.941 53.674 60.472 1.00 0.00 C ATOM 49 CG HIS A 4 93.900 52.822 59.687 1.00 0.00 C ATOM 50 ND1 HIS A 4 95.161 53.270 59.326 1.00 0.00 N ATOM 51 CD2 HIS A 4 93.797 51.549 59.186 1.00 0.00 C ATOM 52 CE1 HIS A 4 95.761 52.280 58.639 1.00 0.00 C ATOM 53 NE2 HIS A 4 94.974 51.208 58.524 1.00 0.00 N ATOM 0 H HIS A 4 91.542 52.922 57.924 1.00 0.00 H new ATOM 0 HA HIS A 4 91.206 54.932 60.050 1.00 0.00 H new ATOM 0 HB2 HIS A 4 93.483 54.461 60.997 1.00 0.00 H new ATOM 0 HB3 HIS A 4 92.440 53.072 61.230 1.00 0.00 H new ATOM 0 HD2 HIS A 4 92.934 50.908 59.289 1.00 0.00 H new ATOM 0 HE1 HIS A 4 96.759 52.345 58.230 1.00 0.00 H new ATOM 0 HE2 HIS A 4 95.188 50.329 58.053 1.00 0.00 H new ATOM 61 N ILE A 5 92.379 56.441 58.502 1.00 0.00 N ATOM 62 CA ILE A 5 93.026 57.336 57.499 1.00 0.00 C ATOM 63 C ILE A 5 94.073 58.221 58.179 1.00 0.00 C ATOM 64 O ILE A 5 93.943 59.428 58.229 1.00 0.00 O ATOM 65 CB ILE A 5 91.888 58.190 56.938 1.00 0.00 C ATOM 66 CG1 ILE A 5 92.451 59.169 55.905 1.00 0.00 C ATOM 67 CG2 ILE A 5 91.230 58.973 58.075 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.621 59.093 54.623 1.00 0.00 C ATOM 0 H ILE A 5 91.777 56.910 59.179 1.00 0.00 H new ATOM 0 HA ILE A 5 93.540 56.777 56.718 1.00 0.00 H new ATOM 0 HB ILE A 5 91.147 57.545 56.465 1.00 0.00 H new ATOM 0 HG12 ILE A 5 92.433 60.184 56.303 1.00 0.00 H new ATOM 0 HG13 ILE A 5 93.493 58.929 55.691 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.419 59.582 57.676 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.832 58.277 58.813 1.00 0.00 H new ATOM 0 HG23 ILE A 5 91.970 59.619 58.548 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.022 59.790 53.888 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.662 58.080 54.223 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.586 59.354 54.844 1.00 0.00 H new ATOM 80 N GLN A 6 95.112 57.630 58.703 1.00 0.00 N ATOM 81 CA GLN A 6 96.166 58.439 59.379 1.00 0.00 C ATOM 82 C GLN A 6 97.408 58.539 58.489 1.00 0.00 C ATOM 83 O GLN A 6 97.480 57.935 57.437 1.00 0.00 O ATOM 84 CB GLN A 6 96.489 57.677 60.663 1.00 0.00 C ATOM 85 CG GLN A 6 95.263 57.675 61.577 1.00 0.00 C ATOM 86 CD GLN A 6 95.701 57.948 63.017 1.00 0.00 C ATOM 87 OE1 GLN A 6 95.802 59.086 63.429 1.00 0.00 O ATOM 88 NE2 GLN A 6 95.968 56.944 63.806 1.00 0.00 N ATOM 0 H GLN A 6 95.277 56.623 58.692 1.00 0.00 H new ATOM 0 HA GLN A 6 95.837 59.458 59.582 1.00 0.00 H new ATOM 0 HB2 GLN A 6 96.782 56.654 60.427 1.00 0.00 H new ATOM 0 HB3 GLN A 6 97.334 58.141 61.171 1.00 0.00 H new ATOM 0 HG2 GLN A 6 94.552 58.434 61.252 1.00 0.00 H new ATOM 0 HG3 GLN A 6 94.753 56.714 61.517 1.00 0.00 H new ATOM 0 HE21 GLN A 6 95.883 55.988 63.461 1.00 0.00 H new ATOM 0 HE22 GLN A 6 96.261 57.115 64.768 1.00 0.00 H new ATOM 97 N ILE A 7 98.386 59.294 58.904 1.00 0.00 N ATOM 98 CA ILE A 7 99.624 59.431 58.083 1.00 0.00 C ATOM 99 C ILE A 7 100.726 58.518 58.639 1.00 0.00 C ATOM 100 O ILE A 7 101.315 58.818 59.657 1.00 0.00 O ATOM 101 CB ILE A 7 100.027 60.900 58.215 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.853 61.792 57.797 1.00 0.00 C ATOM 103 CG2 ILE A 7 101.226 61.184 57.310 1.00 0.00 C ATOM 104 CD1 ILE A 7 98.482 61.498 56.343 1.00 0.00 C ATOM 0 H ILE A 7 98.383 59.823 59.776 1.00 0.00 H new ATOM 0 HA ILE A 7 99.466 59.145 57.043 1.00 0.00 H new ATOM 0 HB ILE A 7 100.294 61.110 59.251 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.996 61.611 58.446 1.00 0.00 H new ATOM 0 HG13 ILE A 7 99.122 62.842 57.910 1.00 0.00 H new ATOM 0 HG21 ILE A 7 101.513 62.231 57.404 1.00 0.00 H new ATOM 0 HG22 ILE A 7 102.063 60.550 57.605 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.958 60.973 56.275 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.647 62.132 56.045 1.00 0.00 H new ATOM 0 HD12 ILE A 7 99.339 61.701 55.701 1.00 0.00 H new ATOM 0 HD13 ILE A 7 98.195 60.451 56.245 1.00 0.00 H new ATOM 116 N PRO A 8 100.971 57.427 57.953 1.00 0.00 N ATOM 117 CA PRO A 8 102.016 56.473 58.401 1.00 0.00 C ATOM 118 C PRO A 8 103.414 57.077 58.214 1.00 0.00 C ATOM 119 O PRO A 8 103.638 57.839 57.295 1.00 0.00 O ATOM 120 CB PRO A 8 101.815 55.263 57.493 1.00 0.00 C ATOM 121 CG PRO A 8 101.152 55.808 56.273 1.00 0.00 C ATOM 122 CD PRO A 8 100.319 56.982 56.714 1.00 0.00 C ATOM 0 HA PRO A 8 101.938 56.220 59.458 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.766 54.790 57.248 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.196 54.506 57.974 1.00 0.00 H new ATOM 0 HG2 PRO A 8 101.893 56.116 55.536 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.529 55.049 55.800 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.309 57.771 55.962 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.282 56.694 56.888 1.00 0.00 H new ATOM 130 N PRO A 9 104.313 56.720 59.099 1.00 0.00 N ATOM 131 CA PRO A 9 105.699 57.243 59.024 1.00 0.00 C ATOM 132 C PRO A 9 106.442 56.624 57.837 1.00 0.00 C ATOM 133 O PRO A 9 105.961 55.710 57.199 1.00 0.00 O ATOM 134 CB PRO A 9 106.322 56.805 60.347 1.00 0.00 C ATOM 135 CG PRO A 9 105.526 55.615 60.773 1.00 0.00 C ATOM 136 CD PRO A 9 104.131 55.807 60.237 1.00 0.00 C ATOM 0 HA PRO A 9 105.741 58.322 58.877 1.00 0.00 H new ATOM 0 HB2 PRO A 9 107.375 56.552 60.223 1.00 0.00 H new ATOM 0 HB3 PRO A 9 106.271 57.601 61.090 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.966 54.697 60.384 1.00 0.00 H new ATOM 0 HG3 PRO A 9 105.514 55.527 61.859 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.689 54.861 59.924 1.00 0.00 H new ATOM 0 HD3 PRO A 9 103.469 56.234 60.990 1.00 0.00 H new ATOM 144 N GLY A 10 107.611 57.119 57.536 1.00 0.00 N ATOM 145 CA GLY A 10 108.383 56.564 56.389 1.00 0.00 C ATOM 146 C GLY A 10 108.173 57.451 55.162 1.00 0.00 C ATOM 147 O GLY A 10 109.050 57.605 54.335 1.00 0.00 O ATOM 0 H GLY A 10 108.065 57.884 58.035 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.443 56.515 56.639 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.058 55.546 56.176 1.00 0.00 H new ATOM 151 N LEU A 11 107.014 58.039 55.038 1.00 0.00 N ATOM 152 CA LEU A 11 106.744 58.920 53.868 1.00 0.00 C ATOM 153 C LEU A 11 107.193 60.351 54.172 1.00 0.00 C ATOM 154 O LEU A 11 107.763 61.024 53.336 1.00 0.00 O ATOM 155 CB LEU A 11 105.230 58.860 53.668 1.00 0.00 C ATOM 156 CG LEU A 11 104.844 59.674 52.432 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.744 58.746 51.220 1.00 0.00 C ATOM 158 CD2 LEU A 11 103.491 60.348 52.667 1.00 0.00 C ATOM 0 H LEU A 11 106.242 57.947 55.698 1.00 0.00 H new ATOM 0 HA LEU A 11 107.283 58.602 52.976 1.00 0.00 H new ATOM 0 HB2 LEU A 11 104.909 57.825 53.549 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.721 59.252 54.548 1.00 0.00 H new ATOM 0 HG LEU A 11 105.603 60.434 52.248 1.00 0.00 H new ATOM 0 HD11 LEU A 11 104.469 59.326 50.339 1.00 0.00 H new ATOM 0 HD12 LEU A 11 105.707 58.264 51.051 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.985 57.986 51.405 1.00 0.00 H new ATOM 0 HD21 LEU A 11 103.216 60.928 51.786 1.00 0.00 H new ATOM 0 HD22 LEU A 11 102.733 59.587 52.852 1.00 0.00 H new ATOM 0 HD23 LEU A 11 103.559 61.010 53.531 1.00 0.00 H new ATOM 170 N THR A 12 106.943 60.821 55.364 1.00 0.00 N ATOM 171 CA THR A 12 107.359 62.207 55.721 1.00 0.00 C ATOM 172 C THR A 12 108.870 62.363 55.537 1.00 0.00 C ATOM 173 O THR A 12 109.332 63.206 54.794 1.00 0.00 O ATOM 174 CB THR A 12 106.979 62.372 57.193 1.00 0.00 C ATOM 175 OG1 THR A 12 105.576 62.207 57.339 1.00 0.00 O ATOM 176 CG2 THR A 12 107.383 63.767 57.673 1.00 0.00 C ATOM 0 H THR A 12 106.469 60.305 56.105 1.00 0.00 H new ATOM 0 HA THR A 12 106.880 62.958 55.093 1.00 0.00 H new ATOM 0 HB THR A 12 107.498 61.621 57.789 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.331 62.311 58.282 1.00 0.00 H new ATOM 0 HG21 THR A 12 107.112 63.883 58.722 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.460 63.893 57.561 1.00 0.00 H new ATOM 0 HG23 THR A 12 106.866 64.520 57.079 1.00 0.00 H new ATOM 184 N GLU A 13 109.640 61.552 56.206 1.00 0.00 N ATOM 185 CA GLU A 13 111.121 61.646 56.068 1.00 0.00 C ATOM 186 C GLU A 13 111.515 61.565 54.591 1.00 0.00 C ATOM 187 O GLU A 13 112.541 62.069 54.182 1.00 0.00 O ATOM 188 CB GLU A 13 111.667 60.442 56.837 1.00 0.00 C ATOM 189 CG GLU A 13 113.195 60.499 56.861 1.00 0.00 C ATOM 190 CD GLU A 13 113.664 61.053 58.208 1.00 0.00 C ATOM 191 OE1 GLU A 13 113.608 60.319 59.180 1.00 0.00 O ATOM 192 OE2 GLU A 13 114.072 62.203 58.243 1.00 0.00 O ATOM 0 H GLU A 13 109.309 60.828 56.843 1.00 0.00 H new ATOM 0 HA GLU A 13 111.516 62.586 56.453 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.277 60.440 57.855 1.00 0.00 H new ATOM 0 HB3 GLU A 13 111.335 59.516 56.367 1.00 0.00 H new ATOM 0 HG2 GLU A 13 113.609 59.504 56.701 1.00 0.00 H new ATOM 0 HG3 GLU A 13 113.559 61.130 56.050 1.00 0.00 H new ATOM 199 N LEU A 14 110.700 60.936 53.789 1.00 0.00 N ATOM 200 CA LEU A 14 111.020 60.825 52.338 1.00 0.00 C ATOM 201 C LEU A 14 110.709 62.146 51.631 1.00 0.00 C ATOM 202 O LEU A 14 111.522 62.677 50.900 1.00 0.00 O ATOM 203 CB LEU A 14 110.110 59.711 51.817 1.00 0.00 C ATOM 204 CG LEU A 14 110.921 58.426 51.646 1.00 0.00 C ATOM 205 CD1 LEU A 14 109.989 57.217 51.739 1.00 0.00 C ATOM 206 CD2 LEU A 14 111.607 58.438 50.278 1.00 0.00 C ATOM 0 H LEU A 14 109.827 60.494 54.076 1.00 0.00 H new ATOM 0 HA LEU A 14 112.073 60.607 52.160 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.287 59.544 52.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 109.668 60.004 50.865 1.00 0.00 H new ATOM 0 HG LEU A 14 111.674 58.363 52.431 1.00 0.00 H new ATOM 0 HD11 LEU A 14 110.568 56.301 51.617 1.00 0.00 H new ATOM 0 HD12 LEU A 14 109.499 57.210 52.713 1.00 0.00 H new ATOM 0 HD13 LEU A 14 109.235 57.277 50.954 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.186 57.523 50.153 1.00 0.00 H new ATOM 0 HD22 LEU A 14 110.853 58.500 49.493 1.00 0.00 H new ATOM 0 HD23 LEU A 14 112.271 59.300 50.212 1.00 0.00 H new ATOM 218 N LEU A 15 109.539 62.682 51.845 1.00 0.00 N ATOM 219 CA LEU A 15 109.177 63.970 51.188 1.00 0.00 C ATOM 220 C LEU A 15 110.040 65.103 51.747 1.00 0.00 C ATOM 221 O LEU A 15 110.681 65.828 51.011 1.00 0.00 O ATOM 222 CB LEU A 15 107.703 64.189 51.531 1.00 0.00 C ATOM 223 CG LEU A 15 106.833 63.789 50.338 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.101 62.327 49.969 1.00 0.00 C ATOM 225 CD2 LEU A 15 105.357 63.955 50.707 1.00 0.00 C ATOM 0 H LEU A 15 108.818 62.284 52.446 1.00 0.00 H new ATOM 0 HA LEU A 15 109.341 63.950 50.111 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.431 63.599 52.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.530 65.235 51.786 1.00 0.00 H new ATOM 0 HG LEU A 15 107.074 64.427 49.487 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.479 62.046 49.119 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.152 62.205 49.706 1.00 0.00 H new ATOM 0 HD13 LEU A 15 106.863 61.688 50.819 1.00 0.00 H new ATOM 0 HD21 LEU A 15 104.735 63.670 49.858 1.00 0.00 H new ATOM 0 HD22 LEU A 15 105.121 63.318 51.559 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.162 64.995 50.967 1.00 0.00 H new ATOM 237 N GLN A 16 110.072 65.258 53.045 1.00 0.00 N ATOM 238 CA GLN A 16 110.904 66.341 53.646 1.00 0.00 C ATOM 239 C GLN A 16 112.336 66.253 53.111 1.00 0.00 C ATOM 240 O GLN A 16 112.941 67.247 52.762 1.00 0.00 O ATOM 241 CB GLN A 16 110.873 66.077 55.151 1.00 0.00 C ATOM 242 CG GLN A 16 110.655 67.394 55.896 1.00 0.00 C ATOM 243 CD GLN A 16 111.315 67.318 57.273 1.00 0.00 C ATOM 244 OE1 GLN A 16 110.642 67.171 58.275 1.00 0.00 O ATOM 245 NE2 GLN A 16 112.613 67.412 57.368 1.00 0.00 N ATOM 0 H GLN A 16 109.559 64.683 53.713 1.00 0.00 H new ATOM 0 HA GLN A 16 110.532 67.337 53.404 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.075 65.375 55.391 1.00 0.00 H new ATOM 0 HB3 GLN A 16 111.809 65.617 55.470 1.00 0.00 H new ATOM 0 HG2 GLN A 16 111.076 68.221 55.325 1.00 0.00 H new ATOM 0 HG3 GLN A 16 109.588 67.591 56.003 1.00 0.00 H new ATOM 0 HE21 GLN A 16 113.178 67.535 56.528 1.00 0.00 H new ATOM 0 HE22 GLN A 16 113.062 67.362 58.282 1.00 0.00 H new ATOM 254 N GLY A 17 112.878 65.066 53.031 1.00 0.00 N ATOM 255 CA GLY A 17 114.264 64.916 52.502 1.00 0.00 C ATOM 256 C GLY A 17 114.336 65.561 51.118 1.00 0.00 C ATOM 257 O GLY A 17 115.180 66.392 50.852 1.00 0.00 O ATOM 0 H GLY A 17 112.422 64.197 53.308 1.00 0.00 H new ATOM 0 HA2 GLY A 17 114.978 65.389 53.176 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.533 63.861 52.441 1.00 0.00 H new ATOM 261 N TYR A 18 113.442 65.193 50.239 1.00 0.00 N ATOM 262 CA TYR A 18 113.435 65.790 48.874 1.00 0.00 C ATOM 263 C TYR A 18 113.511 67.316 48.965 1.00 0.00 C ATOM 264 O TYR A 18 114.314 67.951 48.311 1.00 0.00 O ATOM 265 CB TYR A 18 112.094 65.362 48.282 1.00 0.00 C ATOM 266 CG TYR A 18 112.237 65.185 46.796 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.281 64.388 46.281 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.329 65.815 45.921 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.418 64.221 44.883 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.463 65.651 44.526 1.00 0.00 C ATOM 271 CZ TYR A 18 112.506 64.855 44.006 1.00 0.00 C ATOM 272 OH TYR A 18 112.635 64.698 42.643 1.00 0.00 O ATOM 0 H TYR A 18 112.713 64.501 50.410 1.00 0.00 H new ATOM 0 HA TYR A 18 114.282 65.465 48.270 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.763 64.430 48.740 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.333 66.112 48.498 1.00 0.00 H new ATOM 0 HD1 TYR A 18 113.975 63.906 46.953 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.530 66.424 46.319 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.216 63.611 44.486 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.767 66.135 43.856 1.00 0.00 H new ATOM 0 HH TYR A 18 113.585 64.677 42.405 1.00 0.00 H new ATOM 282 N THR A 19 112.679 67.905 49.778 1.00 0.00 N ATOM 283 CA THR A 19 112.694 69.386 49.925 1.00 0.00 C ATOM 284 C THR A 19 114.098 69.860 50.319 1.00 0.00 C ATOM 285 O THR A 19 114.555 70.903 49.891 1.00 0.00 O ATOM 286 CB THR A 19 111.687 69.670 51.044 1.00 0.00 C ATOM 287 OG1 THR A 19 110.383 69.327 50.600 1.00 0.00 O ATOM 288 CG2 THR A 19 111.725 71.152 51.419 1.00 0.00 C ATOM 0 H THR A 19 111.986 67.421 50.349 1.00 0.00 H new ATOM 0 HA THR A 19 112.436 69.906 49.002 1.00 0.00 H new ATOM 0 HB THR A 19 111.946 69.075 51.920 1.00 0.00 H new ATOM 0 HG1 THR A 19 109.737 69.506 51.314 1.00 0.00 H new ATOM 0 HG21 THR A 19 111.006 71.344 52.215 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.726 71.415 51.762 1.00 0.00 H new ATOM 0 HG23 THR A 19 111.471 71.755 50.547 1.00 0.00 H new ATOM 296 N VAL A 20 114.784 69.103 51.130 1.00 0.00 N ATOM 297 CA VAL A 20 116.154 69.510 51.553 1.00 0.00 C ATOM 298 C VAL A 20 117.157 69.288 50.417 1.00 0.00 C ATOM 299 O VAL A 20 118.184 69.931 50.354 1.00 0.00 O ATOM 300 CB VAL A 20 116.487 68.607 52.741 1.00 0.00 C ATOM 301 CG1 VAL A 20 117.855 68.994 53.306 1.00 0.00 C ATOM 302 CG2 VAL A 20 115.423 68.779 53.826 1.00 0.00 C ATOM 0 H VAL A 20 114.455 68.219 51.519 1.00 0.00 H new ATOM 0 HA VAL A 20 116.203 70.567 51.813 1.00 0.00 H new ATOM 0 HB VAL A 20 116.508 67.568 52.413 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.094 68.351 54.153 1.00 0.00 H new ATOM 0 HG12 VAL A 20 118.615 68.874 52.534 1.00 0.00 H new ATOM 0 HG13 VAL A 20 117.832 70.033 53.634 1.00 0.00 H new ATOM 0 HG21 VAL A 20 115.660 68.135 54.673 1.00 0.00 H new ATOM 0 HG22 VAL A 20 115.403 69.818 54.154 1.00 0.00 H new ATOM 0 HG23 VAL A 20 114.447 68.506 53.425 1.00 0.00 H new ATOM 312 N GLU A 21 116.870 68.384 49.521 1.00 0.00 N ATOM 313 CA GLU A 21 117.821 68.129 48.392 1.00 0.00 C ATOM 314 C GLU A 21 117.518 69.094 47.252 1.00 0.00 C ATOM 315 O GLU A 21 118.362 69.856 46.820 1.00 0.00 O ATOM 316 CB GLU A 21 117.580 66.686 47.905 1.00 0.00 C ATOM 317 CG GLU A 21 117.105 65.778 49.045 1.00 0.00 C ATOM 318 CD GLU A 21 117.778 64.409 48.924 1.00 0.00 C ATOM 319 OE1 GLU A 21 118.947 64.375 48.578 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.112 63.420 49.179 1.00 0.00 O ATOM 0 H GLU A 21 116.025 67.812 49.518 1.00 0.00 H new ATOM 0 HA GLU A 21 118.853 68.267 48.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.836 66.690 47.108 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.501 66.286 47.480 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.346 66.229 50.008 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.021 65.667 49.007 1.00 0.00 H new ATOM 327 N VAL A 22 116.312 69.058 46.762 1.00 0.00 N ATOM 328 CA VAL A 22 115.920 69.960 45.643 1.00 0.00 C ATOM 329 C VAL A 22 116.351 71.400 45.939 1.00 0.00 C ATOM 330 O VAL A 22 116.658 72.161 45.043 1.00 0.00 O ATOM 331 CB VAL A 22 114.396 69.855 45.573 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.889 70.656 44.381 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.988 68.388 45.401 1.00 0.00 C ATOM 0 H VAL A 22 115.573 68.437 47.091 1.00 0.00 H new ATOM 0 HA VAL A 22 116.394 69.682 44.702 1.00 0.00 H new ATOM 0 HB VAL A 22 113.965 70.248 46.494 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.803 70.583 44.329 1.00 0.00 H new ATOM 0 HG12 VAL A 22 114.177 71.701 44.496 1.00 0.00 H new ATOM 0 HG13 VAL A 22 114.324 70.258 43.464 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.902 68.316 45.351 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.420 67.996 44.480 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.352 67.807 46.249 1.00 0.00 H new ATOM 343 N LEU A 23 116.381 71.779 47.188 1.00 0.00 N ATOM 344 CA LEU A 23 116.800 73.168 47.531 1.00 0.00 C ATOM 345 C LEU A 23 118.328 73.267 47.554 1.00 0.00 C ATOM 346 O LEU A 23 118.901 74.257 47.144 1.00 0.00 O ATOM 347 CB LEU A 23 116.223 73.426 48.923 1.00 0.00 C ATOM 348 CG LEU A 23 116.275 74.926 49.225 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.927 75.567 48.883 1.00 0.00 C ATOM 350 CD2 LEU A 23 116.575 75.138 50.711 1.00 0.00 C ATOM 0 H LEU A 23 116.134 71.189 47.983 1.00 0.00 H new ATOM 0 HA LEU A 23 116.445 73.898 46.804 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.194 73.069 48.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.790 72.873 49.672 1.00 0.00 H new ATOM 0 HG LEU A 23 117.059 75.387 48.624 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.967 76.635 49.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 114.711 75.418 47.825 1.00 0.00 H new ATOM 0 HD13 LEU A 23 114.142 75.105 49.481 1.00 0.00 H new ATOM 0 HD21 LEU A 23 116.612 76.206 50.926 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.791 74.674 51.310 1.00 0.00 H new ATOM 0 HD23 LEU A 23 117.536 74.685 50.957 1.00 0.00 H new ATOM 362 N ARG A 24 118.992 72.249 48.031 1.00 0.00 N ATOM 363 CA ARG A 24 120.483 72.288 48.082 1.00 0.00 C ATOM 364 C ARG A 24 121.074 72.021 46.694 1.00 0.00 C ATOM 365 O ARG A 24 122.159 72.467 46.376 1.00 0.00 O ATOM 366 CB ARG A 24 120.877 71.170 49.049 1.00 0.00 C ATOM 367 CG ARG A 24 121.627 71.767 50.241 1.00 0.00 C ATOM 368 CD ARG A 24 123.133 71.612 50.025 1.00 0.00 C ATOM 369 NE ARG A 24 123.752 72.695 50.839 1.00 0.00 N ATOM 370 CZ ARG A 24 124.895 73.211 50.476 1.00 0.00 C ATOM 371 NH1 ARG A 24 125.815 72.452 49.947 1.00 0.00 N ATOM 372 NH2 ARG A 24 125.116 74.487 50.641 1.00 0.00 N ATOM 0 H ARG A 24 118.568 71.393 48.387 1.00 0.00 H new ATOM 0 HA ARG A 24 120.855 73.261 48.404 1.00 0.00 H new ATOM 0 HB2 ARG A 24 119.988 70.642 49.393 1.00 0.00 H new ATOM 0 HB3 ARG A 24 121.505 70.439 48.540 1.00 0.00 H new ATOM 0 HG2 ARG A 24 121.372 72.821 50.354 1.00 0.00 H new ATOM 0 HG3 ARG A 24 121.327 71.266 51.161 1.00 0.00 H new ATOM 0 HD2 ARG A 24 123.479 70.630 50.347 1.00 0.00 H new ATOM 0 HD3 ARG A 24 123.393 71.712 48.971 1.00 0.00 H new ATOM 0 HE ARG A 24 123.283 73.033 51.679 1.00 0.00 H new ATOM 0 HH11 ARG A 24 125.641 71.455 49.817 1.00 0.00 H new ATOM 0 HH12 ARG A 24 126.708 72.855 49.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 124.396 75.080 51.053 1.00 0.00 H new ATOM 0 HH22 ARG A 24 126.009 74.891 50.358 1.00 0.00 H new ATOM 386 N GLN A 25 120.375 71.293 45.866 1.00 0.00 N ATOM 387 CA GLN A 25 120.906 70.999 44.506 1.00 0.00 C ATOM 388 C GLN A 25 119.813 71.180 43.450 1.00 0.00 C ATOM 389 O GLN A 25 119.580 70.306 42.642 1.00 0.00 O ATOM 390 CB GLN A 25 121.356 69.540 44.565 1.00 0.00 C ATOM 391 CG GLN A 25 120.158 68.645 44.888 1.00 0.00 C ATOM 392 CD GLN A 25 120.375 67.969 46.243 1.00 0.00 C ATOM 393 OE1 GLN A 25 120.449 68.629 47.260 1.00 0.00 O ATOM 394 NE2 GLN A 25 120.484 66.669 46.300 1.00 0.00 N ATOM 0 H GLN A 25 119.461 70.890 46.073 1.00 0.00 H new ATOM 0 HA GLN A 25 121.720 71.670 44.231 1.00 0.00 H new ATOM 0 HB2 GLN A 25 121.796 69.246 43.612 1.00 0.00 H new ATOM 0 HB3 GLN A 25 122.129 69.418 45.324 1.00 0.00 H new ATOM 0 HG2 GLN A 25 119.243 69.237 44.908 1.00 0.00 H new ATOM 0 HG3 GLN A 25 120.033 67.892 44.110 1.00 0.00 H new ATOM 0 HE21 GLN A 25 120.422 66.114 45.446 1.00 0.00 H new ATOM 0 HE22 GLN A 25 120.631 66.208 47.198 1.00 0.00 H new ATOM 403 N GLN A 26 119.146 72.312 43.462 1.00 0.00 N ATOM 404 CA GLN A 26 118.053 72.593 42.473 1.00 0.00 C ATOM 405 C GLN A 26 118.396 72.035 41.082 1.00 0.00 C ATOM 406 O GLN A 26 119.119 72.653 40.328 1.00 0.00 O ATOM 407 CB GLN A 26 117.959 74.118 42.422 1.00 0.00 C ATOM 408 CG GLN A 26 116.912 74.599 43.427 1.00 0.00 C ATOM 409 CD GLN A 26 116.135 75.776 42.832 1.00 0.00 C ATOM 410 OE1 GLN A 26 115.981 75.872 41.631 1.00 0.00 O ATOM 411 NE2 GLN A 26 115.637 76.682 43.628 1.00 0.00 N ATOM 0 H GLN A 26 119.316 73.066 44.127 1.00 0.00 H new ATOM 0 HA GLN A 26 117.115 72.122 42.767 1.00 0.00 H new ATOM 0 HB2 GLN A 26 118.928 74.560 42.651 1.00 0.00 H new ATOM 0 HB3 GLN A 26 117.690 74.443 41.417 1.00 0.00 H new ATOM 0 HG2 GLN A 26 116.229 73.786 43.674 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.396 74.901 44.356 1.00 0.00 H new ATOM 0 HE21 GLN A 26 115.766 76.601 44.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 115.118 77.471 43.242 1.00 0.00 H new ATOM 420 N PRO A 27 117.863 70.872 40.797 1.00 0.00 N ATOM 421 CA PRO A 27 118.119 70.219 39.492 1.00 0.00 C ATOM 422 C PRO A 27 117.336 70.921 38.376 1.00 0.00 C ATOM 423 O PRO A 27 116.446 71.703 38.645 1.00 0.00 O ATOM 424 CB PRO A 27 117.615 68.794 39.697 1.00 0.00 C ATOM 425 CG PRO A 27 116.599 68.892 40.791 1.00 0.00 C ATOM 426 CD PRO A 27 116.981 70.068 41.652 1.00 0.00 C ATOM 0 HA PRO A 27 119.167 70.256 39.195 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.173 68.397 38.783 1.00 0.00 H new ATOM 0 HB3 PRO A 27 118.429 68.124 39.974 1.00 0.00 H new ATOM 0 HG2 PRO A 27 115.600 69.027 40.377 1.00 0.00 H new ATOM 0 HG3 PRO A 27 116.578 67.975 41.380 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.104 70.635 41.963 1.00 0.00 H new ATOM 0 HD3 PRO A 27 117.492 69.747 42.560 1.00 0.00 H new ATOM 434 N PRO A 28 117.692 70.617 37.151 1.00 0.00 N ATOM 435 CA PRO A 28 117.004 71.232 35.990 1.00 0.00 C ATOM 436 C PRO A 28 115.590 70.663 35.849 1.00 0.00 C ATOM 437 O PRO A 28 114.645 71.377 35.578 1.00 0.00 O ATOM 438 CB PRO A 28 117.873 70.831 34.802 1.00 0.00 C ATOM 439 CG PRO A 28 118.572 69.586 35.241 1.00 0.00 C ATOM 440 CD PRO A 28 118.751 69.690 36.732 1.00 0.00 C ATOM 0 HA PRO A 28 116.891 72.312 36.081 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.269 70.652 33.913 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.586 71.617 34.551 1.00 0.00 H new ATOM 0 HG2 PRO A 28 117.988 68.703 34.983 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.536 69.487 34.742 1.00 0.00 H new ATOM 0 HD2 PRO A 28 118.646 68.719 37.216 1.00 0.00 H new ATOM 0 HD3 PRO A 28 119.740 70.070 36.990 1.00 0.00 H new ATOM 448 N ASP A 29 115.439 69.378 36.030 1.00 0.00 N ATOM 449 CA ASP A 29 114.087 68.762 35.908 1.00 0.00 C ATOM 450 C ASP A 29 113.711 68.050 37.209 1.00 0.00 C ATOM 451 O ASP A 29 114.343 67.093 37.611 1.00 0.00 O ATOM 452 CB ASP A 29 114.212 67.754 34.764 1.00 0.00 C ATOM 453 CG ASP A 29 114.342 68.501 33.436 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.342 69.022 32.971 1.00 0.00 O ATOM 455 OD2 ASP A 29 115.441 68.539 32.906 1.00 0.00 O ATOM 0 H ASP A 29 116.193 68.729 36.257 1.00 0.00 H new ATOM 0 HA ASP A 29 113.312 69.504 35.716 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.082 67.116 34.921 1.00 0.00 H new ATOM 0 HB3 ASP A 29 113.339 67.102 34.743 1.00 0.00 H new ATOM 460 N LEU A 30 112.683 68.506 37.868 1.00 0.00 N ATOM 461 CA LEU A 30 112.262 67.853 39.142 1.00 0.00 C ATOM 462 C LEU A 30 111.676 66.472 38.844 1.00 0.00 C ATOM 463 O LEU A 30 111.991 65.497 39.499 1.00 0.00 O ATOM 464 CB LEU A 30 111.195 68.781 39.726 1.00 0.00 C ATOM 465 CG LEU A 30 111.093 68.580 41.240 1.00 0.00 C ATOM 466 CD1 LEU A 30 110.650 67.147 41.541 1.00 0.00 C ATOM 467 CD2 LEU A 30 112.456 68.840 41.886 1.00 0.00 C ATOM 0 H LEU A 30 112.115 69.303 37.581 1.00 0.00 H new ATOM 0 HA LEU A 30 113.091 67.706 39.834 1.00 0.00 H new ATOM 0 HB2 LEU A 30 111.445 69.819 39.505 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.231 68.579 39.259 1.00 0.00 H new ATOM 0 HG LEU A 30 110.360 69.277 41.646 1.00 0.00 H new ATOM 0 HD11 LEU A 30 110.578 67.007 42.620 1.00 0.00 H new ATOM 0 HD12 LEU A 30 109.677 66.964 41.086 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.379 66.447 41.132 1.00 0.00 H new ATOM 0 HD21 LEU A 30 112.381 68.696 42.964 1.00 0.00 H new ATOM 0 HD22 LEU A 30 113.191 68.146 41.478 1.00 0.00 H new ATOM 0 HD23 LEU A 30 112.768 69.863 41.677 1.00 0.00 H new ATOM 479 N VAL A 31 110.832 66.378 37.852 1.00 0.00 N ATOM 480 CA VAL A 31 110.233 65.059 37.501 1.00 0.00 C ATOM 481 C VAL A 31 111.336 64.017 37.329 1.00 0.00 C ATOM 482 O VAL A 31 111.385 63.020 38.022 1.00 0.00 O ATOM 483 CB VAL A 31 109.525 65.295 36.169 1.00 0.00 C ATOM 484 CG1 VAL A 31 108.806 64.015 35.738 1.00 0.00 C ATOM 485 CG2 VAL A 31 108.506 66.423 36.331 1.00 0.00 C ATOM 0 H VAL A 31 110.531 67.159 37.269 1.00 0.00 H new ATOM 0 HA VAL A 31 109.554 64.692 38.271 1.00 0.00 H new ATOM 0 HB VAL A 31 110.258 65.571 35.410 1.00 0.00 H new ATOM 0 HG11 VAL A 31 108.301 64.184 34.787 1.00 0.00 H new ATOM 0 HG12 VAL A 31 109.532 63.210 35.625 1.00 0.00 H new ATOM 0 HG13 VAL A 31 108.072 63.738 36.495 1.00 0.00 H new ATOM 0 HG21 VAL A 31 107.999 66.594 35.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 107.774 66.146 37.089 1.00 0.00 H new ATOM 0 HG23 VAL A 31 109.018 67.335 36.638 1.00 0.00 H new ATOM 495 N ASP A 32 112.226 64.252 36.409 1.00 0.00 N ATOM 496 CA ASP A 32 113.339 63.294 36.179 1.00 0.00 C ATOM 497 C ASP A 32 114.151 63.117 37.464 1.00 0.00 C ATOM 498 O ASP A 32 114.579 62.028 37.791 1.00 0.00 O ATOM 499 CB ASP A 32 114.182 63.948 35.086 1.00 0.00 C ATOM 500 CG ASP A 32 114.608 62.892 34.064 1.00 0.00 C ATOM 501 OD1 ASP A 32 114.981 61.809 34.482 1.00 0.00 O ATOM 502 OD2 ASP A 32 114.551 63.185 32.881 1.00 0.00 O ATOM 0 H ASP A 32 112.230 65.072 35.803 1.00 0.00 H new ATOM 0 HA ASP A 32 112.993 62.302 35.890 1.00 0.00 H new ATOM 0 HB2 ASP A 32 113.610 64.735 34.594 1.00 0.00 H new ATOM 0 HB3 ASP A 32 115.061 64.420 35.524 1.00 0.00 H new ATOM 507 N PHE A 33 114.359 64.175 38.201 1.00 0.00 N ATOM 508 CA PHE A 33 115.137 64.051 39.467 1.00 0.00 C ATOM 509 C PHE A 33 114.429 63.080 40.414 1.00 0.00 C ATOM 510 O PHE A 33 115.038 62.197 40.985 1.00 0.00 O ATOM 511 CB PHE A 33 115.169 65.458 40.065 1.00 0.00 C ATOM 512 CG PHE A 33 115.892 65.415 41.391 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.228 64.960 41.451 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.231 65.823 42.571 1.00 0.00 C ATOM 515 CE1 PHE A 33 117.903 64.913 42.692 1.00 0.00 C ATOM 516 CE2 PHE A 33 115.906 65.775 43.812 1.00 0.00 C ATOM 517 CZ PHE A 33 117.241 65.321 43.872 1.00 0.00 C ATOM 0 H PHE A 33 114.026 65.114 37.983 1.00 0.00 H new ATOM 0 HA PHE A 33 116.143 63.666 39.299 1.00 0.00 H new ATOM 0 HB2 PHE A 33 115.672 66.145 39.384 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.154 65.832 40.202 1.00 0.00 H new ATOM 0 HD1 PHE A 33 117.733 64.648 40.549 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.210 66.172 42.525 1.00 0.00 H new ATOM 0 HE1 PHE A 33 118.924 64.565 42.738 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.400 66.086 44.714 1.00 0.00 H new ATOM 0 HZ PHE A 33 117.757 65.285 44.820 1.00 0.00 H new ATOM 527 N ALA A 34 113.144 63.236 40.578 1.00 0.00 N ATOM 528 CA ALA A 34 112.384 62.323 41.482 1.00 0.00 C ATOM 529 C ALA A 34 112.682 60.861 41.137 1.00 0.00 C ATOM 530 O ALA A 34 112.796 60.020 42.007 1.00 0.00 O ATOM 531 CB ALA A 34 110.912 62.646 41.216 1.00 0.00 C ATOM 0 H ALA A 34 112.585 63.958 40.124 1.00 0.00 H new ATOM 0 HA ALA A 34 112.653 62.461 42.529 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.282 62.016 41.843 1.00 0.00 H new ATOM 0 HB2 ALA A 34 110.722 63.694 41.448 1.00 0.00 H new ATOM 0 HB3 ALA A 34 110.682 62.459 40.167 1.00 0.00 H new ATOM 537 N VAL A 35 112.808 60.551 39.877 1.00 0.00 N ATOM 538 CA VAL A 35 113.097 59.150 39.481 1.00 0.00 C ATOM 539 C VAL A 35 114.537 58.780 39.849 1.00 0.00 C ATOM 540 O VAL A 35 114.780 57.814 40.542 1.00 0.00 O ATOM 541 CB VAL A 35 112.907 59.134 37.966 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.097 57.712 37.450 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.497 59.617 37.621 1.00 0.00 C ATOM 0 H VAL A 35 112.723 61.211 39.104 1.00 0.00 H new ATOM 0 HA VAL A 35 112.451 58.431 39.985 1.00 0.00 H new ATOM 0 HB VAL A 35 113.639 59.794 37.500 1.00 0.00 H new ATOM 0 HG11 VAL A 35 112.962 57.696 36.368 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.101 57.367 37.695 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.363 57.055 37.917 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.363 59.605 36.539 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.763 58.958 38.085 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.359 60.632 37.993 1.00 0.00 H new ATOM 553 N GLU A 36 115.492 59.540 39.388 1.00 0.00 N ATOM 554 CA GLU A 36 116.915 59.227 39.709 1.00 0.00 C ATOM 555 C GLU A 36 117.119 59.141 41.225 1.00 0.00 C ATOM 556 O GLU A 36 117.862 58.313 41.714 1.00 0.00 O ATOM 557 CB GLU A 36 117.716 60.393 39.129 1.00 0.00 C ATOM 558 CG GLU A 36 117.536 60.432 37.609 1.00 0.00 C ATOM 559 CD GLU A 36 118.835 60.900 36.952 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.638 61.510 37.640 1.00 0.00 O ATOM 561 OE2 GLU A 36 119.005 60.643 35.772 1.00 0.00 O ATOM 0 H GLU A 36 115.350 60.364 38.803 1.00 0.00 H new ATOM 0 HA GLU A 36 117.226 58.268 39.295 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.381 61.332 39.569 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.771 60.282 39.378 1.00 0.00 H new ATOM 0 HG2 GLU A 36 117.265 59.443 37.239 1.00 0.00 H new ATOM 0 HG3 GLU A 36 116.720 61.105 37.346 1.00 0.00 H new ATOM 568 N TYR A 37 116.471 59.992 41.971 1.00 0.00 N ATOM 569 CA TYR A 37 116.635 59.960 43.453 1.00 0.00 C ATOM 570 C TYR A 37 116.020 58.682 44.035 1.00 0.00 C ATOM 571 O TYR A 37 116.709 57.848 44.589 1.00 0.00 O ATOM 572 CB TYR A 37 115.889 61.198 43.958 1.00 0.00 C ATOM 573 CG TYR A 37 115.879 61.207 45.469 1.00 0.00 C ATOM 574 CD1 TYR A 37 117.058 60.903 46.186 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.689 61.519 46.165 1.00 0.00 C ATOM 576 CE1 TYR A 37 117.047 60.909 47.599 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.678 61.525 47.578 1.00 0.00 C ATOM 578 CZ TYR A 37 115.857 61.221 48.295 1.00 0.00 C ATOM 579 OH TYR A 37 115.845 61.226 49.674 1.00 0.00 O ATOM 0 H TYR A 37 115.835 60.708 41.620 1.00 0.00 H new ATOM 0 HA TYR A 37 117.683 59.964 43.751 1.00 0.00 H new ATOM 0 HB2 TYR A 37 116.369 62.102 43.583 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.867 61.199 43.578 1.00 0.00 H new ATOM 0 HD1 TYR A 37 117.968 60.666 45.654 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.788 61.753 45.617 1.00 0.00 H new ATOM 0 HE1 TYR A 37 117.948 60.675 48.147 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.768 61.762 48.110 1.00 0.00 H new ATOM 0 HH TYR A 37 116.331 62.011 50.003 1.00 0.00 H new ATOM 589 N PHE A 38 114.730 58.529 43.925 1.00 0.00 N ATOM 590 CA PHE A 38 114.070 57.313 44.483 1.00 0.00 C ATOM 591 C PHE A 38 114.625 56.045 43.823 1.00 0.00 C ATOM 592 O PHE A 38 114.928 55.074 44.487 1.00 0.00 O ATOM 593 CB PHE A 38 112.587 57.486 44.158 1.00 0.00 C ATOM 594 CG PHE A 38 112.021 58.618 44.982 1.00 0.00 C ATOM 595 CD1 PHE A 38 112.284 58.682 46.369 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.230 59.613 44.367 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.757 59.742 47.140 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.702 60.673 45.138 1.00 0.00 C ATOM 599 CZ PHE A 38 110.966 60.737 46.525 1.00 0.00 C ATOM 0 H PHE A 38 114.102 59.194 43.472 1.00 0.00 H new ATOM 0 HA PHE A 38 114.245 57.206 45.554 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.458 57.695 43.096 1.00 0.00 H new ATOM 0 HB3 PHE A 38 112.047 56.563 44.369 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.888 57.920 46.840 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.029 59.564 43.307 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.959 59.791 48.200 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.097 61.434 44.668 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.563 61.547 47.115 1.00 0.00 H new ATOM 609 N THR A 39 114.756 56.042 42.525 1.00 0.00 N ATOM 610 CA THR A 39 115.287 54.828 41.836 1.00 0.00 C ATOM 611 C THR A 39 116.659 54.451 42.401 1.00 0.00 C ATOM 612 O THR A 39 116.949 53.293 42.632 1.00 0.00 O ATOM 613 CB THR A 39 115.403 55.225 40.363 1.00 0.00 C ATOM 614 OG1 THR A 39 114.121 55.578 39.866 1.00 0.00 O ATOM 615 CG2 THR A 39 115.959 54.049 39.558 1.00 0.00 C ATOM 0 H THR A 39 114.520 56.823 41.913 1.00 0.00 H new ATOM 0 HA THR A 39 114.640 53.962 41.975 1.00 0.00 H new ATOM 0 HB THR A 39 116.076 56.077 40.269 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.862 56.453 40.222 1.00 0.00 H new ATOM 0 HG21 THR A 39 116.041 54.333 38.509 1.00 0.00 H new ATOM 0 HG22 THR A 39 116.944 53.780 39.940 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.288 53.195 39.651 1.00 0.00 H new ATOM 623 N ARG A 40 117.507 55.417 42.628 1.00 0.00 N ATOM 624 CA ARG A 40 118.859 55.109 43.178 1.00 0.00 C ATOM 625 C ARG A 40 118.758 54.742 44.661 1.00 0.00 C ATOM 626 O ARG A 40 119.577 54.018 45.189 1.00 0.00 O ATOM 627 CB ARG A 40 119.664 56.395 42.999 1.00 0.00 C ATOM 628 CG ARG A 40 121.157 56.085 43.121 1.00 0.00 C ATOM 629 CD ARG A 40 121.940 56.942 42.125 1.00 0.00 C ATOM 630 NE ARG A 40 123.372 56.682 42.438 1.00 0.00 N ATOM 631 CZ ARG A 40 124.302 57.431 41.911 1.00 0.00 C ATOM 632 NH1 ARG A 40 124.226 57.777 40.655 1.00 0.00 N ATOM 633 NH2 ARG A 40 125.307 57.833 42.640 1.00 0.00 N ATOM 0 H ARG A 40 117.323 56.406 42.457 1.00 0.00 H new ATOM 0 HA ARG A 40 119.325 54.263 42.673 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.452 56.836 42.025 1.00 0.00 H new ATOM 0 HB3 ARG A 40 119.371 57.127 43.751 1.00 0.00 H new ATOM 0 HG2 ARG A 40 121.499 56.285 44.136 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.337 55.028 42.927 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.704 56.667 41.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 121.697 57.999 42.236 1.00 0.00 H new ATOM 0 HE ARG A 40 123.626 55.918 43.064 1.00 0.00 H new ATOM 0 HH11 ARG A 40 123.440 57.462 40.086 1.00 0.00 H new ATOM 0 HH12 ARG A 40 124.952 58.362 40.242 1.00 0.00 H new ATOM 0 HH21 ARG A 40 125.366 57.562 43.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 126.034 58.418 42.228 1.00 0.00 H new ATOM 647 N LEU A 41 117.760 55.241 45.337 1.00 0.00 N ATOM 648 CA LEU A 41 117.608 54.924 46.786 1.00 0.00 C ATOM 649 C LEU A 41 117.449 53.413 46.985 1.00 0.00 C ATOM 650 O LEU A 41 117.939 52.850 47.945 1.00 0.00 O ATOM 651 CB LEU A 41 116.339 55.658 47.220 1.00 0.00 C ATOM 652 CG LEU A 41 116.551 56.271 48.605 1.00 0.00 C ATOM 653 CD1 LEU A 41 117.594 57.385 48.516 1.00 0.00 C ATOM 654 CD2 LEU A 41 115.229 56.850 49.112 1.00 0.00 C ATOM 0 H LEU A 41 117.043 55.854 44.949 1.00 0.00 H new ATOM 0 HA LEU A 41 118.477 55.230 47.369 1.00 0.00 H new ATOM 0 HB2 LEU A 41 116.093 56.438 46.499 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.496 54.967 47.242 1.00 0.00 H new ATOM 0 HG LEU A 41 116.900 55.502 49.294 1.00 0.00 H new ATOM 0 HD11 LEU A 41 117.745 57.822 49.503 1.00 0.00 H new ATOM 0 HD12 LEU A 41 118.536 56.973 48.153 1.00 0.00 H new ATOM 0 HD13 LEU A 41 117.246 58.155 47.828 1.00 0.00 H new ATOM 0 HD21 LEU A 41 115.378 57.287 50.099 1.00 0.00 H new ATOM 0 HD22 LEU A 41 114.881 57.619 48.423 1.00 0.00 H new ATOM 0 HD23 LEU A 41 114.485 56.056 49.176 1.00 0.00 H new ATOM 666 N ARG A 42 116.766 52.755 46.090 1.00 0.00 N ATOM 667 CA ARG A 42 116.575 51.284 46.232 1.00 0.00 C ATOM 668 C ARG A 42 117.932 50.578 46.327 1.00 0.00 C ATOM 669 O ARG A 42 118.108 49.654 47.097 1.00 0.00 O ATOM 670 CB ARG A 42 115.836 50.857 44.964 1.00 0.00 C ATOM 671 CG ARG A 42 114.438 51.480 44.958 1.00 0.00 C ATOM 672 CD ARG A 42 113.395 50.396 45.239 1.00 0.00 C ATOM 673 NE ARG A 42 113.404 49.531 44.027 1.00 0.00 N ATOM 674 CZ ARG A 42 113.115 48.262 44.128 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.314 47.847 45.072 1.00 0.00 N ATOM 676 NH2 ARG A 42 113.627 47.407 43.285 1.00 0.00 N ATOM 0 H ARG A 42 116.332 53.172 45.267 1.00 0.00 H new ATOM 0 HA ARG A 42 116.021 51.026 47.134 1.00 0.00 H new ATOM 0 HB2 ARG A 42 116.392 51.174 44.081 1.00 0.00 H new ATOM 0 HB3 ARG A 42 115.762 49.770 44.921 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.375 52.265 45.712 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.241 51.948 43.994 1.00 0.00 H new ATOM 0 HD2 ARG A 42 113.649 49.826 46.133 1.00 0.00 H new ATOM 0 HD3 ARG A 42 112.409 50.830 45.407 1.00 0.00 H new ATOM 0 HE ARG A 42 113.636 49.930 43.117 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.914 48.515 45.731 1.00 0.00 H new ATOM 0 HH12 ARG A 42 112.089 46.855 45.150 1.00 0.00 H new ATOM 0 HH21 ARG A 42 114.253 47.730 42.547 1.00 0.00 H new ATOM 0 HH22 ARG A 42 113.401 46.415 43.364 1.00 0.00 H new ATOM 690 N GLU A 43 118.891 51.003 45.552 1.00 0.00 N ATOM 691 CA GLU A 43 120.232 50.354 45.602 1.00 0.00 C ATOM 692 C GLU A 43 121.035 50.890 46.789 1.00 0.00 C ATOM 693 O GLU A 43 121.848 50.195 47.367 1.00 0.00 O ATOM 694 CB GLU A 43 120.907 50.733 44.283 1.00 0.00 C ATOM 695 CG GLU A 43 120.271 49.940 43.140 1.00 0.00 C ATOM 696 CD GLU A 43 121.060 48.649 42.912 1.00 0.00 C ATOM 697 OE1 GLU A 43 122.258 48.741 42.698 1.00 0.00 O ATOM 698 OE2 GLU A 43 120.453 47.591 42.955 1.00 0.00 O ATOM 0 H GLU A 43 118.805 51.771 44.886 1.00 0.00 H new ATOM 0 HA GLU A 43 120.162 49.274 45.728 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.800 51.802 44.102 1.00 0.00 H new ATOM 0 HB3 GLU A 43 121.975 50.523 44.335 1.00 0.00 H new ATOM 0 HG2 GLU A 43 119.233 49.707 43.379 1.00 0.00 H new ATOM 0 HG3 GLU A 43 120.262 50.539 42.229 1.00 0.00 H new ATOM 705 N ALA A 44 120.812 52.121 47.159 1.00 0.00 N ATOM 706 CA ALA A 44 121.561 52.703 48.312 1.00 0.00 C ATOM 707 C ALA A 44 121.445 51.796 49.532 1.00 0.00 C ATOM 708 O ALA A 44 122.393 51.153 49.940 1.00 0.00 O ATOM 709 CB ALA A 44 120.876 54.036 48.601 1.00 0.00 C ATOM 0 H ALA A 44 120.144 52.750 46.714 1.00 0.00 H new ATOM 0 HA ALA A 44 122.621 52.818 48.088 1.00 0.00 H new ATOM 0 HB1 ALA A 44 121.372 54.526 49.439 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.937 54.675 47.720 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.829 53.861 48.850 1.00 0.00 H new ATOM 715 N ARG A 45 120.285 51.749 50.126 1.00 0.00 N ATOM 716 CA ARG A 45 120.095 50.899 51.332 1.00 0.00 C ATOM 717 C ARG A 45 120.606 49.479 51.072 1.00 0.00 C ATOM 718 O ARG A 45 121.228 48.867 51.918 1.00 0.00 O ATOM 719 CB ARG A 45 118.585 50.888 51.573 1.00 0.00 C ATOM 720 CG ARG A 45 118.165 52.190 52.257 1.00 0.00 C ATOM 721 CD ARG A 45 118.312 52.041 53.772 1.00 0.00 C ATOM 722 NE ARG A 45 117.628 53.233 54.344 1.00 0.00 N ATOM 723 CZ ARG A 45 117.852 53.584 55.581 1.00 0.00 C ATOM 724 NH1 ARG A 45 118.885 54.328 55.870 1.00 0.00 N ATOM 725 NH2 ARG A 45 117.044 53.191 56.527 1.00 0.00 N ATOM 0 H ARG A 45 119.458 52.265 49.826 1.00 0.00 H new ATOM 0 HA ARG A 45 120.645 51.279 52.193 1.00 0.00 H new ATOM 0 HB2 ARG A 45 118.056 50.776 50.626 1.00 0.00 H new ATOM 0 HB3 ARG A 45 118.312 50.035 52.194 1.00 0.00 H new ATOM 0 HG2 ARG A 45 118.781 53.016 51.901 1.00 0.00 H new ATOM 0 HG3 ARG A 45 117.133 52.430 52.003 1.00 0.00 H new ATOM 0 HD2 ARG A 45 117.854 51.116 54.124 1.00 0.00 H new ATOM 0 HD3 ARG A 45 119.361 52.009 54.066 1.00 0.00 H new ATOM 0 HE ARG A 45 116.984 53.776 53.769 1.00 0.00 H new ATOM 0 HH11 ARG A 45 119.516 54.634 55.129 1.00 0.00 H new ATOM 0 HH12 ARG A 45 119.061 54.603 56.836 1.00 0.00 H new ATOM 0 HH21 ARG A 45 116.237 52.609 56.300 1.00 0.00 H new ATOM 0 HH22 ARG A 45 117.219 53.465 57.494 1.00 0.00 H new ATOM 739 N ARG A 46 120.347 48.955 49.908 1.00 0.00 N ATOM 740 CA ARG A 46 120.814 47.577 49.588 1.00 0.00 C ATOM 741 C ARG A 46 121.617 47.578 48.285 1.00 0.00 C ATOM 742 O ARG A 46 121.018 47.791 47.243 1.00 0.00 O ATOM 743 CB ARG A 46 119.536 46.753 49.429 1.00 0.00 C ATOM 744 CG ARG A 46 119.899 45.278 49.255 1.00 0.00 C ATOM 745 CD ARG A 46 118.915 44.412 50.046 1.00 0.00 C ATOM 746 NE ARG A 46 119.199 43.016 49.615 1.00 0.00 N ATOM 747 CZ ARG A 46 118.275 42.101 49.713 1.00 0.00 C ATOM 748 NH1 ARG A 46 118.162 41.403 50.810 1.00 0.00 N ATOM 749 NH2 ARG A 46 117.462 41.884 48.716 1.00 0.00 N ATOM 750 OXT ARG A 46 122.816 47.367 48.351 1.00 0.00 O ATOM 0 H ARG A 46 119.831 49.422 49.162 1.00 0.00 H new ATOM 0 HA ARG A 46 121.467 47.173 50.362 1.00 0.00 H new ATOM 0 HB2 ARG A 46 118.897 46.881 50.303 1.00 0.00 H new ATOM 0 HB3 ARG A 46 118.970 47.103 48.566 1.00 0.00 H new ATOM 0 HG2 ARG A 46 119.870 45.008 48.199 1.00 0.00 H new ATOM 0 HG3 ARG A 46 120.917 45.100 49.602 1.00 0.00 H new ATOM 0 HD2 ARG A 46 119.059 44.531 51.120 1.00 0.00 H new ATOM 0 HD3 ARG A 46 117.883 44.690 49.831 1.00 0.00 H new ATOM 0 HE ARG A 46 120.117 42.775 49.243 1.00 0.00 H new ATOM 0 HH11 ARG A 46 118.796 41.573 51.590 1.00 0.00 H new ATOM 0 HH12 ARG A 46 117.439 40.687 50.887 1.00 0.00 H new ATOM 0 HH21 ARG A 46 117.549 42.430 47.859 1.00 0.00 H new ATOM 0 HH22 ARG A 46 116.740 41.168 48.794 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 117.588 84.916 38.733 1.00 0.00 N ATOM 766 CA HIS B 1 118.566 84.235 39.631 1.00 0.00 C ATOM 767 C HIS B 1 119.588 85.243 40.163 1.00 0.00 C ATOM 768 O HIS B 1 120.575 85.541 39.519 1.00 0.00 O ATOM 769 CB HIS B 1 119.252 83.190 38.750 1.00 0.00 C ATOM 770 CG HIS B 1 119.710 82.040 39.605 1.00 0.00 C ATOM 771 ND1 HIS B 1 120.408 82.230 40.787 1.00 0.00 N ATOM 772 CD2 HIS B 1 119.578 80.681 39.462 1.00 0.00 C ATOM 773 CE1 HIS B 1 120.665 81.015 41.306 1.00 0.00 C ATOM 774 NE2 HIS B 1 120.182 80.036 40.536 1.00 0.00 N ATOM 0 H1 HIS B 1 116.900 84.221 38.379 1.00 0.00 H new ATOM 0 H2 HIS B 1 117.089 85.659 39.263 1.00 0.00 H new ATOM 0 H3 HIS B 1 118.093 85.344 37.931 1.00 0.00 H new ATOM 0 HA HIS B 1 118.085 83.784 40.499 1.00 0.00 H new ATOM 0 HB2 HIS B 1 118.563 82.836 37.983 1.00 0.00 H new ATOM 0 HB3 HIS B 1 120.102 83.635 38.234 1.00 0.00 H new ATOM 0 HD2 HIS B 1 119.081 80.188 38.640 1.00 0.00 H new ATOM 0 HE1 HIS B 1 121.197 80.852 42.232 1.00 0.00 H new ATOM 0 HE2 HIS B 1 120.243 79.031 40.700 1.00 0.00 H new ATOM 784 N MET B 2 119.359 85.771 41.334 1.00 0.00 N ATOM 785 CA MET B 2 120.316 86.759 41.907 1.00 0.00 C ATOM 786 C MET B 2 120.472 86.531 43.413 1.00 0.00 C ATOM 787 O MET B 2 120.780 87.438 44.160 1.00 0.00 O ATOM 788 CB MET B 2 119.687 88.126 41.634 1.00 0.00 C ATOM 789 CG MET B 2 120.785 89.187 41.548 1.00 0.00 C ATOM 790 SD MET B 2 120.456 90.283 40.146 1.00 0.00 S ATOM 791 CE MET B 2 119.056 91.168 40.873 1.00 0.00 C ATOM 0 H MET B 2 118.550 85.561 41.919 1.00 0.00 H new ATOM 0 HA MET B 2 121.310 86.673 41.468 1.00 0.00 H new ATOM 0 HB2 MET B 2 119.121 88.098 40.703 1.00 0.00 H new ATOM 0 HB3 MET B 2 118.984 88.379 42.427 1.00 0.00 H new ATOM 0 HG2 MET B 2 120.822 89.763 42.473 1.00 0.00 H new ATOM 0 HG3 MET B 2 121.758 88.710 41.430 1.00 0.00 H new ATOM 0 HE1 MET B 2 118.160 90.981 40.281 1.00 0.00 H new ATOM 0 HE2 MET B 2 118.896 90.820 41.893 1.00 0.00 H new ATOM 0 HE3 MET B 2 119.267 92.237 40.884 1.00 0.00 H new ATOM 801 N GLY B 3 120.261 85.324 43.863 1.00 0.00 N ATOM 802 CA GLY B 3 120.395 85.037 45.319 1.00 0.00 C ATOM 803 C GLY B 3 119.013 85.062 45.975 1.00 0.00 C ATOM 804 O GLY B 3 118.516 86.103 46.357 1.00 0.00 O ATOM 0 H GLY B 3 120.002 84.525 43.285 1.00 0.00 H new ATOM 0 HA2 GLY B 3 120.862 84.063 45.467 1.00 0.00 H new ATOM 0 HA3 GLY B 3 121.045 85.776 45.788 1.00 0.00 H new ATOM 808 N HIS B 4 118.388 83.925 46.106 1.00 0.00 N ATOM 809 CA HIS B 4 117.036 83.884 46.736 1.00 0.00 C ATOM 810 C HIS B 4 116.689 82.452 47.154 1.00 0.00 C ATOM 811 O HIS B 4 116.815 81.523 46.382 1.00 0.00 O ATOM 812 CB HIS B 4 116.078 84.373 45.651 1.00 0.00 C ATOM 813 CG HIS B 4 116.178 83.471 44.451 1.00 0.00 C ATOM 814 ND1 HIS B 4 115.249 82.476 44.193 1.00 0.00 N ATOM 815 CD2 HIS B 4 117.093 83.403 43.429 1.00 0.00 C ATOM 816 CE1 HIS B 4 115.621 81.857 43.058 1.00 0.00 C ATOM 817 NE2 HIS B 4 116.740 82.383 42.551 1.00 0.00 N ATOM 0 H HIS B 4 118.754 83.022 45.805 1.00 0.00 H new ATOM 0 HA HIS B 4 116.981 84.498 47.635 1.00 0.00 H new ATOM 0 HB2 HIS B 4 115.056 84.381 46.030 1.00 0.00 H new ATOM 0 HB3 HIS B 4 116.322 85.398 45.371 1.00 0.00 H new ATOM 0 HD2 HIS B 4 117.956 84.044 43.323 1.00 0.00 H new ATOM 0 HE1 HIS B 4 115.081 81.035 42.611 1.00 0.00 H new ATOM 0 HE2 HIS B 4 117.230 82.098 41.703 1.00 0.00 H new ATOM 825 N ILE B 5 116.249 82.269 48.368 1.00 0.00 N ATOM 826 CA ILE B 5 115.892 80.898 48.834 1.00 0.00 C ATOM 827 C ILE B 5 114.378 80.784 49.028 1.00 0.00 C ATOM 828 O ILE B 5 113.896 80.594 50.127 1.00 0.00 O ATOM 829 CB ILE B 5 116.616 80.729 50.168 1.00 0.00 C ATOM 830 CG1 ILE B 5 116.300 79.349 50.748 1.00 0.00 C ATOM 831 CG2 ILE B 5 116.148 81.810 51.143 1.00 0.00 C ATOM 832 CD1 ILE B 5 117.600 78.653 51.151 1.00 0.00 C ATOM 0 H ILE B 5 116.121 83.009 49.058 1.00 0.00 H new ATOM 0 HA ILE B 5 116.180 80.131 48.115 1.00 0.00 H new ATOM 0 HB ILE B 5 117.691 80.821 50.012 1.00 0.00 H new ATOM 0 HG12 ILE B 5 115.645 79.448 51.614 1.00 0.00 H new ATOM 0 HG13 ILE B 5 115.766 78.747 50.012 1.00 0.00 H new ATOM 0 HG21 ILE B 5 116.665 81.690 52.095 1.00 0.00 H new ATOM 0 HG22 ILE B 5 116.372 82.794 50.731 1.00 0.00 H new ATOM 0 HG23 ILE B 5 115.073 81.718 51.299 1.00 0.00 H new ATOM 0 HD11 ILE B 5 117.374 77.670 51.564 1.00 0.00 H new ATOM 0 HD12 ILE B 5 118.239 78.540 50.275 1.00 0.00 H new ATOM 0 HD13 ILE B 5 118.116 79.252 51.902 1.00 0.00 H new ATOM 844 N GLN B 6 113.624 80.899 47.969 1.00 0.00 N ATOM 845 CA GLN B 6 112.141 80.797 48.096 1.00 0.00 C ATOM 846 C GLN B 6 111.658 79.445 47.568 1.00 0.00 C ATOM 847 O GLN B 6 112.425 78.661 47.046 1.00 0.00 O ATOM 848 CB GLN B 6 111.591 81.935 47.237 1.00 0.00 C ATOM 849 CG GLN B 6 112.005 83.278 47.842 1.00 0.00 C ATOM 850 CD GLN B 6 110.817 84.241 47.804 1.00 0.00 C ATOM 851 OE1 GLN B 6 110.013 84.268 48.714 1.00 0.00 O ATOM 852 NE2 GLN B 6 110.672 85.039 46.782 1.00 0.00 N ATOM 0 H GLN B 6 113.969 81.059 47.023 1.00 0.00 H new ATOM 0 HA GLN B 6 111.809 80.871 49.132 1.00 0.00 H new ATOM 0 HB2 GLN B 6 111.969 81.851 46.218 1.00 0.00 H new ATOM 0 HB3 GLN B 6 110.504 81.869 47.180 1.00 0.00 H new ATOM 0 HG2 GLN B 6 112.341 83.138 48.869 1.00 0.00 H new ATOM 0 HG3 GLN B 6 112.844 83.696 47.286 1.00 0.00 H new ATOM 0 HE21 GLN B 6 111.347 85.017 46.018 1.00 0.00 H new ATOM 0 HE22 GLN B 6 109.884 85.685 46.747 1.00 0.00 H new ATOM 861 N ILE B 7 110.390 79.167 47.699 1.00 0.00 N ATOM 862 CA ILE B 7 109.858 77.865 47.203 1.00 0.00 C ATOM 863 C ILE B 7 109.188 78.059 45.835 1.00 0.00 C ATOM 864 O ILE B 7 108.096 78.587 45.756 1.00 0.00 O ATOM 865 CB ILE B 7 108.829 77.434 48.247 1.00 0.00 C ATOM 866 CG1 ILE B 7 109.487 77.395 49.629 1.00 0.00 C ATOM 867 CG2 ILE B 7 108.301 76.042 47.897 1.00 0.00 C ATOM 868 CD1 ILE B 7 110.644 76.394 49.617 1.00 0.00 C ATOM 0 H ILE B 7 109.700 79.784 48.127 1.00 0.00 H new ATOM 0 HA ILE B 7 110.642 77.119 47.073 1.00 0.00 H new ATOM 0 HB ILE B 7 108.004 78.146 48.257 1.00 0.00 H new ATOM 0 HG12 ILE B 7 109.853 78.386 49.897 1.00 0.00 H new ATOM 0 HG13 ILE B 7 108.754 77.111 50.384 1.00 0.00 H new ATOM 0 HG21 ILE B 7 107.567 75.734 48.641 1.00 0.00 H new ATOM 0 HG22 ILE B 7 107.832 76.067 46.913 1.00 0.00 H new ATOM 0 HG23 ILE B 7 109.127 75.331 47.887 1.00 0.00 H new ATOM 0 HD11 ILE B 7 111.112 76.367 50.601 1.00 0.00 H new ATOM 0 HD12 ILE B 7 110.265 75.403 49.368 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.381 76.698 48.873 1.00 0.00 H new ATOM 880 N PRO B 8 109.861 77.627 44.796 1.00 0.00 N ATOM 881 CA PRO B 8 109.307 77.766 43.426 1.00 0.00 C ATOM 882 C PRO B 8 108.117 76.819 43.229 1.00 0.00 C ATOM 883 O PRO B 8 108.084 75.744 43.793 1.00 0.00 O ATOM 884 CB PRO B 8 110.474 77.378 42.524 1.00 0.00 C ATOM 885 CG PRO B 8 111.338 76.504 43.370 1.00 0.00 C ATOM 886 CD PRO B 8 111.179 76.979 44.791 1.00 0.00 C ATOM 0 HA PRO B 8 108.931 78.767 43.215 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.128 76.850 41.635 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.018 78.258 42.181 1.00 0.00 H new ATOM 0 HG2 PRO B 8 111.041 75.459 43.276 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.379 76.569 43.055 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.220 76.150 45.497 1.00 0.00 H new ATOM 0 HD3 PRO B 8 111.969 77.676 45.071 1.00 0.00 H new ATOM 894 N PRO B 9 107.170 77.252 42.430 1.00 0.00 N ATOM 895 CA PRO B 9 105.966 76.425 42.164 1.00 0.00 C ATOM 896 C PRO B 9 106.324 75.221 41.288 1.00 0.00 C ATOM 897 O PRO B 9 107.421 75.118 40.774 1.00 0.00 O ATOM 898 CB PRO B 9 105.029 77.378 41.427 1.00 0.00 C ATOM 899 CG PRO B 9 105.928 78.399 40.806 1.00 0.00 C ATOM 900 CD PRO B 9 107.127 78.532 41.708 1.00 0.00 C ATOM 0 HA PRO B 9 105.520 76.016 43.071 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.446 76.852 40.670 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.319 77.841 42.112 1.00 0.00 H new ATOM 0 HG2 PRO B 9 106.230 78.090 39.805 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.414 79.355 40.703 1.00 0.00 H new ATOM 0 HD2 PRO B 9 108.040 78.699 41.137 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.021 79.373 42.393 1.00 0.00 H new ATOM 908 N GLY B 10 105.408 74.307 41.118 1.00 0.00 N ATOM 909 CA GLY B 10 105.695 73.109 40.280 1.00 0.00 C ATOM 910 C GLY B 10 106.079 71.939 41.187 1.00 0.00 C ATOM 911 O GLY B 10 105.801 70.794 40.892 1.00 0.00 O ATOM 0 H GLY B 10 104.473 74.338 41.524 1.00 0.00 H new ATOM 0 HA2 GLY B 10 104.820 72.850 39.684 1.00 0.00 H new ATOM 0 HA3 GLY B 10 106.504 73.324 39.582 1.00 0.00 H new ATOM 915 N LEU B 11 106.715 72.220 42.292 1.00 0.00 N ATOM 916 CA LEU B 11 107.116 71.128 43.222 1.00 0.00 C ATOM 917 C LEU B 11 105.982 70.833 44.206 1.00 0.00 C ATOM 918 O LEU B 11 105.696 69.693 44.516 1.00 0.00 O ATOM 919 CB LEU B 11 108.345 71.664 43.957 1.00 0.00 C ATOM 920 CG LEU B 11 108.894 70.584 44.891 1.00 0.00 C ATOM 921 CD1 LEU B 11 110.018 69.821 44.187 1.00 0.00 C ATOM 922 CD2 LEU B 11 109.444 71.241 46.159 1.00 0.00 C ATOM 0 H LEU B 11 106.974 73.160 42.590 1.00 0.00 H new ATOM 0 HA LEU B 11 107.332 70.196 42.700 1.00 0.00 H new ATOM 0 HB2 LEU B 11 109.110 71.962 43.239 1.00 0.00 H new ATOM 0 HB3 LEU B 11 108.080 72.554 44.529 1.00 0.00 H new ATOM 0 HG LEU B 11 108.094 69.892 45.154 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.408 69.052 44.853 1.00 0.00 H new ATOM 0 HD12 LEU B 11 109.629 69.354 43.282 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.818 70.513 43.923 1.00 0.00 H new ATOM 0 HD21 LEU B 11 109.836 70.473 46.826 1.00 0.00 H new ATOM 0 HD22 LEU B 11 110.243 71.933 45.893 1.00 0.00 H new ATOM 0 HD23 LEU B 11 108.645 71.786 46.662 1.00 0.00 H new ATOM 934 N THR B 12 105.330 71.852 44.700 1.00 0.00 N ATOM 935 CA THR B 12 104.213 71.627 45.661 1.00 0.00 C ATOM 936 C THR B 12 103.144 70.741 45.020 1.00 0.00 C ATOM 937 O THR B 12 102.809 69.688 45.526 1.00 0.00 O ATOM 938 CB THR B 12 103.652 73.019 45.954 1.00 0.00 C ATOM 939 OG1 THR B 12 104.669 73.825 46.533 1.00 0.00 O ATOM 940 CG2 THR B 12 102.475 72.902 46.925 1.00 0.00 C ATOM 0 H THR B 12 105.523 72.829 44.479 1.00 0.00 H new ATOM 0 HA THR B 12 104.543 71.125 46.570 1.00 0.00 H new ATOM 0 HB THR B 12 103.310 73.477 45.026 1.00 0.00 H new ATOM 0 HG1 THR B 12 104.312 74.718 46.720 1.00 0.00 H new ATOM 0 HG21 THR B 12 102.075 73.894 47.134 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.696 72.283 46.480 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.814 72.445 47.854 1.00 0.00 H new ATOM 948 N GLU B 13 102.610 71.159 43.907 1.00 0.00 N ATOM 949 CA GLU B 13 101.566 70.341 43.227 1.00 0.00 C ATOM 950 C GLU B 13 102.083 68.919 43.002 1.00 0.00 C ATOM 951 O GLU B 13 101.323 67.976 42.917 1.00 0.00 O ATOM 952 CB GLU B 13 101.322 71.041 41.889 1.00 0.00 C ATOM 953 CG GLU B 13 100.176 70.348 41.151 1.00 0.00 C ATOM 954 CD GLU B 13 98.886 71.149 41.342 1.00 0.00 C ATOM 955 OE1 GLU B 13 98.758 72.185 40.711 1.00 0.00 O ATOM 956 OE2 GLU B 13 98.050 70.711 42.115 1.00 0.00 O ATOM 0 H GLU B 13 102.851 72.032 43.438 1.00 0.00 H new ATOM 0 HA GLU B 13 100.652 70.261 43.815 1.00 0.00 H new ATOM 0 HB2 GLU B 13 101.080 72.091 42.055 1.00 0.00 H new ATOM 0 HB3 GLU B 13 102.227 71.015 41.283 1.00 0.00 H new ATOM 0 HG2 GLU B 13 100.411 70.264 40.090 1.00 0.00 H new ATOM 0 HG3 GLU B 13 100.046 69.334 41.530 1.00 0.00 H new ATOM 963 N LEU B 14 103.375 68.760 42.909 1.00 0.00 N ATOM 964 CA LEU B 14 103.948 67.400 42.694 1.00 0.00 C ATOM 965 C LEU B 14 103.935 66.615 44.006 1.00 0.00 C ATOM 966 O LEU B 14 103.480 65.489 44.065 1.00 0.00 O ATOM 967 CB LEU B 14 105.383 67.645 42.227 1.00 0.00 C ATOM 968 CG LEU B 14 105.469 67.440 40.714 1.00 0.00 C ATOM 969 CD1 LEU B 14 106.647 68.242 40.155 1.00 0.00 C ATOM 970 CD2 LEU B 14 105.676 65.955 40.414 1.00 0.00 C ATOM 0 H LEU B 14 104.059 69.514 42.973 1.00 0.00 H new ATOM 0 HA LEU B 14 103.380 66.818 41.968 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.693 68.657 42.486 1.00 0.00 H new ATOM 0 HB3 LEU B 14 106.064 66.963 42.736 1.00 0.00 H new ATOM 0 HG LEU B 14 104.545 67.781 40.248 1.00 0.00 H new ATOM 0 HD11 LEU B 14 106.708 68.095 39.077 1.00 0.00 H new ATOM 0 HD12 LEU B 14 106.501 69.301 40.370 1.00 0.00 H new ATOM 0 HD13 LEU B 14 107.572 67.902 40.620 1.00 0.00 H new ATOM 0 HD21 LEU B 14 105.738 65.807 39.336 1.00 0.00 H new ATOM 0 HD22 LEU B 14 106.601 65.615 40.880 1.00 0.00 H new ATOM 0 HD23 LEU B 14 104.838 65.383 40.812 1.00 0.00 H new ATOM 982 N LEU B 15 104.429 67.200 45.063 1.00 0.00 N ATOM 983 CA LEU B 15 104.444 66.488 46.373 1.00 0.00 C ATOM 984 C LEU B 15 103.013 66.294 46.881 1.00 0.00 C ATOM 985 O LEU B 15 102.601 65.197 47.197 1.00 0.00 O ATOM 986 CB LEU B 15 105.233 67.403 47.312 1.00 0.00 C ATOM 987 CG LEU B 15 106.664 66.880 47.455 1.00 0.00 C ATOM 988 CD1 LEU B 15 107.324 66.800 46.076 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.464 67.832 48.347 1.00 0.00 C ATOM 0 H LEU B 15 104.823 68.141 45.076 1.00 0.00 H new ATOM 0 HA LEU B 15 104.892 65.497 46.303 1.00 0.00 H new ATOM 0 HB2 LEU B 15 105.244 68.420 46.921 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.750 67.443 48.288 1.00 0.00 H new ATOM 0 HG LEU B 15 106.644 65.887 47.903 1.00 0.00 H new ATOM 0 HD11 LEU B 15 108.343 66.427 46.181 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.754 66.124 45.439 1.00 0.00 H new ATOM 0 HD13 LEU B 15 107.345 67.792 45.625 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.484 67.462 48.451 1.00 0.00 H new ATOM 0 HD22 LEU B 15 107.482 68.824 47.896 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.997 67.889 49.330 1.00 0.00 H new ATOM 1001 N GLN B 16 102.247 67.350 46.955 1.00 0.00 N ATOM 1002 CA GLN B 16 100.840 67.219 47.435 1.00 0.00 C ATOM 1003 C GLN B 16 100.120 66.128 46.637 1.00 0.00 C ATOM 1004 O GLN B 16 99.408 65.312 47.187 1.00 0.00 O ATOM 1005 CB GLN B 16 100.204 68.585 47.177 1.00 0.00 C ATOM 1006 CG GLN B 16 99.375 68.998 48.394 1.00 0.00 C ATOM 1007 CD GLN B 16 98.219 69.893 47.944 1.00 0.00 C ATOM 1008 OE1 GLN B 16 98.256 71.093 48.134 1.00 0.00 O ATOM 1009 NE2 GLN B 16 97.186 69.358 47.353 1.00 0.00 N ATOM 0 H GLN B 16 102.534 68.296 46.704 1.00 0.00 H new ATOM 0 HA GLN B 16 100.781 66.939 48.487 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.978 69.327 46.981 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.572 68.542 46.290 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.988 68.114 48.901 1.00 0.00 H new ATOM 0 HG3 GLN B 16 100.002 69.528 49.111 1.00 0.00 H new ATOM 0 HE21 GLN B 16 97.155 68.351 47.193 1.00 0.00 H new ATOM 0 HE22 GLN B 16 96.410 69.947 47.051 1.00 0.00 H new ATOM 1018 N GLY B 17 100.311 66.101 45.344 1.00 0.00 N ATOM 1019 CA GLY B 17 99.648 65.053 44.517 1.00 0.00 C ATOM 1020 C GLY B 17 100.018 63.679 45.073 1.00 0.00 C ATOM 1021 O GLY B 17 99.165 62.860 45.355 1.00 0.00 O ATOM 0 H GLY B 17 100.896 66.758 44.827 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.566 65.188 44.533 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.964 65.137 43.477 1.00 0.00 H new ATOM 1025 N TYR B 18 101.288 63.428 45.250 1.00 0.00 N ATOM 1026 CA TYR B 18 101.729 62.118 45.806 1.00 0.00 C ATOM 1027 C TYR B 18 100.931 61.787 47.071 1.00 0.00 C ATOM 1028 O TYR B 18 100.401 60.703 47.221 1.00 0.00 O ATOM 1029 CB TYR B 18 103.201 62.331 46.149 1.00 0.00 C ATOM 1030 CG TYR B 18 103.950 61.037 45.969 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.821 60.314 44.765 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.775 60.552 47.005 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.523 59.097 44.596 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.475 59.338 46.838 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.350 58.610 45.634 1.00 0.00 C ATOM 1036 OH TYR B 18 106.032 57.423 45.476 1.00 0.00 O ATOM 0 H TYR B 18 102.042 64.079 45.032 1.00 0.00 H new ATOM 0 HA TYR B 18 101.577 61.293 45.110 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.627 63.103 45.508 1.00 0.00 H new ATOM 0 HB3 TYR B 18 103.299 62.681 47.177 1.00 0.00 H new ATOM 0 HD1 TYR B 18 103.188 60.688 43.974 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.871 61.109 47.925 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.427 58.541 43.675 1.00 0.00 H new ATOM 0 HE2 TYR B 18 106.106 58.965 47.631 1.00 0.00 H new ATOM 0 HH TYR B 18 105.488 56.800 44.950 1.00 0.00 H new ATOM 1046 N THR B 19 100.843 62.718 47.978 1.00 0.00 N ATOM 1047 CA THR B 19 100.081 62.475 49.234 1.00 0.00 C ATOM 1048 C THR B 19 98.645 62.052 48.904 1.00 0.00 C ATOM 1049 O THR B 19 98.062 61.221 49.573 1.00 0.00 O ATOM 1050 CB THR B 19 100.102 63.822 49.961 1.00 0.00 C ATOM 1051 OG1 THR B 19 101.434 64.123 50.352 1.00 0.00 O ATOM 1052 CG2 THR B 19 99.210 63.762 51.201 1.00 0.00 C ATOM 0 H THR B 19 101.268 63.642 47.903 1.00 0.00 H new ATOM 0 HA THR B 19 100.509 61.677 49.841 1.00 0.00 H new ATOM 0 HB THR B 19 99.729 64.597 49.291 1.00 0.00 H new ATOM 0 HG1 THR B 19 101.452 64.986 50.816 1.00 0.00 H new ATOM 0 HG21 THR B 19 99.231 64.725 51.712 1.00 0.00 H new ATOM 0 HG22 THR B 19 98.187 63.532 50.903 1.00 0.00 H new ATOM 0 HG23 THR B 19 99.575 62.986 51.874 1.00 0.00 H new ATOM 1060 N VAL B 20 98.073 62.618 47.876 1.00 0.00 N ATOM 1061 CA VAL B 20 96.676 62.253 47.503 1.00 0.00 C ATOM 1062 C VAL B 20 96.642 60.878 46.830 1.00 0.00 C ATOM 1063 O VAL B 20 95.637 60.195 46.850 1.00 0.00 O ATOM 1064 CB VAL B 20 96.233 63.338 46.522 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.775 63.104 46.126 1.00 0.00 C ATOM 1066 CG2 VAL B 20 96.366 64.710 47.184 1.00 0.00 C ATOM 0 H VAL B 20 98.513 63.318 47.278 1.00 0.00 H new ATOM 0 HA VAL B 20 96.022 62.194 48.373 1.00 0.00 H new ATOM 0 HB VAL B 20 96.862 63.301 45.633 1.00 0.00 H new ATOM 0 HG11 VAL B 20 94.459 63.878 45.426 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.679 62.126 45.653 1.00 0.00 H new ATOM 0 HG13 VAL B 20 94.146 63.141 47.015 1.00 0.00 H new ATOM 0 HG21 VAL B 20 96.050 65.484 46.484 1.00 0.00 H new ATOM 0 HG22 VAL B 20 95.738 64.747 48.074 1.00 0.00 H new ATOM 0 HG23 VAL B 20 97.405 64.879 47.466 1.00 0.00 H new ATOM 1076 N GLU B 21 97.726 60.463 46.233 1.00 0.00 N ATOM 1077 CA GLU B 21 97.740 59.125 45.561 1.00 0.00 C ATOM 1078 C GLU B 21 98.108 58.053 46.579 1.00 0.00 C ATOM 1079 O GLU B 21 97.374 57.114 46.812 1.00 0.00 O ATOM 1080 CB GLU B 21 98.822 59.172 44.462 1.00 0.00 C ATOM 1081 CG GLU B 21 98.987 60.585 43.894 1.00 0.00 C ATOM 1082 CD GLU B 21 99.187 60.509 42.379 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.536 59.686 41.757 1.00 0.00 O ATOM 1084 OE2 GLU B 21 99.987 61.275 41.868 1.00 0.00 O ATOM 0 H GLU B 21 98.600 60.987 46.180 1.00 0.00 H new ATOM 0 HA GLU B 21 96.763 58.894 45.137 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.773 58.830 44.872 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.556 58.485 43.659 1.00 0.00 H new ATOM 0 HG2 GLU B 21 98.107 61.186 44.125 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.841 61.078 44.359 1.00 0.00 H new ATOM 1091 N VAL B 22 99.254 58.195 47.184 1.00 0.00 N ATOM 1092 CA VAL B 22 99.706 57.197 48.193 1.00 0.00 C ATOM 1093 C VAL B 22 98.585 56.899 49.195 1.00 0.00 C ATOM 1094 O VAL B 22 98.479 55.806 49.715 1.00 0.00 O ATOM 1095 CB VAL B 22 100.894 57.861 48.893 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.513 56.876 49.877 1.00 0.00 C ATOM 1097 CG2 VAL B 22 101.945 58.261 47.855 1.00 0.00 C ATOM 0 H VAL B 22 99.902 58.966 47.021 1.00 0.00 H new ATOM 0 HA VAL B 22 99.977 56.244 47.739 1.00 0.00 H new ATOM 0 HB VAL B 22 100.551 58.749 49.424 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.360 57.345 50.378 1.00 0.00 H new ATOM 0 HG12 VAL B 22 100.768 56.586 50.618 1.00 0.00 H new ATOM 0 HG13 VAL B 22 101.854 55.991 49.340 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.790 58.734 48.356 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.288 57.373 47.324 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.506 58.962 47.144 1.00 0.00 H new ATOM 1107 N LEU B 23 97.743 57.859 49.464 1.00 0.00 N ATOM 1108 CA LEU B 23 96.630 57.622 50.427 1.00 0.00 C ATOM 1109 C LEU B 23 95.464 56.919 49.722 1.00 0.00 C ATOM 1110 O LEU B 23 94.810 56.064 50.287 1.00 0.00 O ATOM 1111 CB LEU B 23 96.208 59.013 50.901 1.00 0.00 C ATOM 1112 CG LEU B 23 95.332 58.881 52.148 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.194 59.049 53.403 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.249 59.962 52.128 1.00 0.00 C ATOM 0 H LEU B 23 97.777 58.795 49.060 1.00 0.00 H new ATOM 0 HA LEU B 23 96.933 56.985 51.258 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.088 59.616 51.124 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.661 59.528 50.111 1.00 0.00 H new ATOM 0 HG LEU B 23 94.865 57.896 52.158 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.568 58.955 54.290 1.00 0.00 H new ATOM 0 HD12 LEU B 23 96.966 58.279 53.420 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.663 60.033 53.393 1.00 0.00 H new ATOM 0 HD21 LEU B 23 93.625 59.868 53.017 1.00 0.00 H new ATOM 0 HD22 LEU B 23 94.717 60.946 52.116 1.00 0.00 H new ATOM 0 HD23 LEU B 23 93.632 59.843 51.237 1.00 0.00 H new ATOM 1126 N ARG B 24 95.201 57.271 48.493 1.00 0.00 N ATOM 1127 CA ARG B 24 94.076 56.623 47.755 1.00 0.00 C ATOM 1128 C ARG B 24 94.489 55.232 47.266 1.00 0.00 C ATOM 1129 O ARG B 24 93.665 54.354 47.100 1.00 0.00 O ATOM 1130 CB ARG B 24 93.801 57.543 46.565 1.00 0.00 C ATOM 1131 CG ARG B 24 92.369 58.074 46.650 1.00 0.00 C ATOM 1132 CD ARG B 24 91.460 57.238 45.747 1.00 0.00 C ATOM 1133 NE ARG B 24 90.098 57.386 46.329 1.00 0.00 N ATOM 1134 CZ ARG B 24 89.224 56.427 46.194 1.00 0.00 C ATOM 1135 NH1 ARG B 24 89.176 55.739 45.084 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.396 56.155 47.165 1.00 0.00 N ATOM 0 H ARG B 24 95.715 57.978 47.967 1.00 0.00 H new ATOM 0 HA ARG B 24 93.196 56.490 48.385 1.00 0.00 H new ATOM 0 HB2 ARG B 24 94.508 58.373 46.562 1.00 0.00 H new ATOM 0 HB3 ARG B 24 93.944 56.999 45.631 1.00 0.00 H new ATOM 0 HG2 ARG B 24 92.015 58.032 47.680 1.00 0.00 H new ATOM 0 HG3 ARG B 24 92.339 59.120 46.346 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.490 57.595 44.717 1.00 0.00 H new ATOM 0 HD3 ARG B 24 91.771 56.194 45.732 1.00 0.00 H new ATOM 0 HE ARG B 24 89.848 58.237 46.833 1.00 0.00 H new ATOM 0 HH11 ARG B 24 89.822 55.952 44.324 1.00 0.00 H new ATOM 0 HH12 ARG B 24 88.493 54.989 44.978 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.432 56.693 48.031 1.00 0.00 H new ATOM 0 HH22 ARG B 24 87.713 55.405 47.058 1.00 0.00 H new ATOM 1150 N GLN B 25 95.755 55.023 47.028 1.00 0.00 N ATOM 1151 CA GLN B 25 96.210 53.690 46.544 1.00 0.00 C ATOM 1152 C GLN B 25 97.467 53.246 47.297 1.00 0.00 C ATOM 1153 O GLN B 25 98.453 52.877 46.693 1.00 0.00 O ATOM 1154 CB GLN B 25 96.518 53.892 45.060 1.00 0.00 C ATOM 1155 CG GLN B 25 97.626 54.937 44.906 1.00 0.00 C ATOM 1156 CD GLN B 25 97.075 56.160 44.170 1.00 0.00 C ATOM 1157 OE1 GLN B 25 96.194 56.835 44.666 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.559 56.475 43.000 1.00 0.00 N ATOM 0 H GLN B 25 96.493 55.717 47.148 1.00 0.00 H new ATOM 0 HA GLN B 25 95.458 52.917 46.705 1.00 0.00 H new ATOM 0 HB2 GLN B 25 96.828 52.949 44.610 1.00 0.00 H new ATOM 0 HB3 GLN B 25 95.621 54.217 44.532 1.00 0.00 H new ATOM 0 HG2 GLN B 25 98.004 55.229 45.886 1.00 0.00 H new ATOM 0 HG3 GLN B 25 98.465 54.514 44.353 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.298 55.908 42.584 1.00 0.00 H new ATOM 0 HE22 GLN B 25 97.198 57.288 42.501 1.00 0.00 H new ATOM 1167 N GLN B 26 97.427 53.281 48.610 1.00 0.00 N ATOM 1168 CA GLN B 26 98.603 52.868 49.444 1.00 0.00 C ATOM 1169 C GLN B 26 99.330 51.659 48.832 1.00 0.00 C ATOM 1170 O GLN B 26 98.915 50.531 49.011 1.00 0.00 O ATOM 1171 CB GLN B 26 98.005 52.493 50.800 1.00 0.00 C ATOM 1172 CG GLN B 26 98.022 53.714 51.722 1.00 0.00 C ATOM 1173 CD GLN B 26 98.355 53.273 53.148 1.00 0.00 C ATOM 1174 OE1 GLN B 26 99.046 52.292 53.346 1.00 0.00 O ATOM 1175 NE2 GLN B 26 97.892 53.959 54.157 1.00 0.00 N ATOM 0 H GLN B 26 96.615 53.584 49.147 1.00 0.00 H new ATOM 0 HA GLN B 26 99.343 53.665 49.515 1.00 0.00 H new ATOM 0 HB2 GLN B 26 96.983 52.135 50.672 1.00 0.00 H new ATOM 0 HB3 GLN B 26 98.574 51.678 51.248 1.00 0.00 H new ATOM 0 HG2 GLN B 26 98.759 54.437 51.372 1.00 0.00 H new ATOM 0 HG3 GLN B 26 97.053 54.212 51.701 1.00 0.00 H new ATOM 0 HE21 GLN B 26 97.312 54.782 53.991 1.00 0.00 H new ATOM 0 HE22 GLN B 26 98.110 53.672 55.111 1.00 0.00 H new ATOM 1184 N PRO B 27 100.393 51.943 48.121 1.00 0.00 N ATOM 1185 CA PRO B 27 101.181 50.870 47.471 1.00 0.00 C ATOM 1186 C PRO B 27 102.007 50.102 48.511 1.00 0.00 C ATOM 1187 O PRO B 27 102.159 50.549 49.631 1.00 0.00 O ATOM 1188 CB PRO B 27 102.089 51.625 46.505 1.00 0.00 C ATOM 1189 CG PRO B 27 102.215 53.000 47.081 1.00 0.00 C ATOM 1190 CD PRO B 27 100.956 53.274 47.862 1.00 0.00 C ATOM 0 HA PRO B 27 100.559 50.127 46.971 1.00 0.00 H new ATOM 0 HB2 PRO B 27 103.063 51.142 46.421 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.660 51.655 45.503 1.00 0.00 H new ATOM 0 HG2 PRO B 27 103.091 53.068 47.727 1.00 0.00 H new ATOM 0 HG3 PRO B 27 102.345 53.738 46.290 1.00 0.00 H new ATOM 0 HD2 PRO B 27 101.171 53.803 48.791 1.00 0.00 H new ATOM 0 HD3 PRO B 27 100.263 53.895 47.295 1.00 0.00 H new ATOM 1198 N PRO B 28 102.521 48.966 48.106 1.00 0.00 N ATOM 1199 CA PRO B 28 103.342 48.138 49.023 1.00 0.00 C ATOM 1200 C PRO B 28 104.698 48.805 49.269 1.00 0.00 C ATOM 1201 O PRO B 28 105.195 48.834 50.377 1.00 0.00 O ATOM 1202 CB PRO B 28 103.511 46.823 48.268 1.00 0.00 C ATOM 1203 CG PRO B 28 103.340 47.181 46.828 1.00 0.00 C ATOM 1204 CD PRO B 28 102.391 48.349 46.779 1.00 0.00 C ATOM 0 HA PRO B 28 102.886 48.002 50.004 1.00 0.00 H new ATOM 0 HB2 PRO B 28 104.492 46.385 48.452 1.00 0.00 H new ATOM 0 HB3 PRO B 28 102.770 46.089 48.583 1.00 0.00 H new ATOM 0 HG2 PRO B 28 104.298 47.442 46.378 1.00 0.00 H new ATOM 0 HG3 PRO B 28 102.943 46.337 46.264 1.00 0.00 H new ATOM 0 HD2 PRO B 28 102.658 49.047 45.986 1.00 0.00 H new ATOM 0 HD3 PRO B 28 101.368 48.025 46.588 1.00 0.00 H new ATOM 1212 N ASP B 29 105.298 49.341 48.242 1.00 0.00 N ATOM 1213 CA ASP B 29 106.620 50.008 48.416 1.00 0.00 C ATOM 1214 C ASP B 29 106.542 51.466 47.960 1.00 0.00 C ATOM 1215 O ASP B 29 106.312 51.755 46.802 1.00 0.00 O ATOM 1216 CB ASP B 29 107.581 49.220 47.526 1.00 0.00 C ATOM 1217 CG ASP B 29 107.835 47.842 48.139 1.00 0.00 C ATOM 1218 OD1 ASP B 29 108.561 47.775 49.116 1.00 0.00 O ATOM 1219 OD2 ASP B 29 107.297 46.878 47.621 1.00 0.00 O ATOM 0 H ASP B 29 104.931 49.346 47.290 1.00 0.00 H new ATOM 0 HA ASP B 29 106.943 50.018 49.457 1.00 0.00 H new ATOM 0 HB2 ASP B 29 107.161 49.112 46.526 1.00 0.00 H new ATOM 0 HB3 ASP B 29 108.521 49.761 47.420 1.00 0.00 H new ATOM 1224 N LEU B 30 106.739 52.389 48.861 1.00 0.00 N ATOM 1225 CA LEU B 30 106.681 53.830 48.479 1.00 0.00 C ATOM 1226 C LEU B 30 107.890 54.181 47.610 1.00 0.00 C ATOM 1227 O LEU B 30 107.765 54.834 46.593 1.00 0.00 O ATOM 1228 CB LEU B 30 106.726 54.590 49.809 1.00 0.00 C ATOM 1229 CG LEU B 30 106.105 55.980 49.641 1.00 0.00 C ATOM 1230 CD1 LEU B 30 106.925 56.789 48.634 1.00 0.00 C ATOM 1231 CD2 LEU B 30 104.667 55.844 49.137 1.00 0.00 C ATOM 0 H LEU B 30 106.938 52.209 49.845 1.00 0.00 H new ATOM 0 HA LEU B 30 105.790 54.079 47.902 1.00 0.00 H new ATOM 0 HB2 LEU B 30 106.186 54.032 50.574 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.757 54.682 50.149 1.00 0.00 H new ATOM 0 HG LEU B 30 106.103 56.492 50.603 1.00 0.00 H new ATOM 0 HD11 LEU B 30 106.482 57.778 48.515 1.00 0.00 H new ATOM 0 HD12 LEU B 30 107.948 56.891 48.996 1.00 0.00 H new ATOM 0 HD13 LEU B 30 106.930 56.276 47.672 1.00 0.00 H new ATOM 0 HD21 LEU B 30 104.228 56.835 49.018 1.00 0.00 H new ATOM 0 HD22 LEU B 30 104.665 55.329 48.176 1.00 0.00 H new ATOM 0 HD23 LEU B 30 104.082 55.271 49.857 1.00 0.00 H new ATOM 1243 N VAL B 31 109.057 53.743 47.996 1.00 0.00 N ATOM 1244 CA VAL B 31 110.275 54.040 47.186 1.00 0.00 C ATOM 1245 C VAL B 31 110.037 53.643 45.730 1.00 0.00 C ATOM 1246 O VAL B 31 110.098 54.457 44.830 1.00 0.00 O ATOM 1247 CB VAL B 31 111.369 53.167 47.794 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.696 53.441 47.084 1.00 0.00 C ATOM 1249 CG2 VAL B 31 111.510 53.493 49.281 1.00 0.00 C ATOM 0 H VAL B 31 109.221 53.191 48.838 1.00 0.00 H new ATOM 0 HA VAL B 31 110.537 55.098 47.198 1.00 0.00 H new ATOM 0 HB VAL B 31 111.105 52.116 47.674 1.00 0.00 H new ATOM 0 HG11 VAL B 31 113.477 52.817 47.519 1.00 0.00 H new ATOM 0 HG12 VAL B 31 112.596 53.210 46.023 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.962 54.491 47.203 1.00 0.00 H new ATOM 0 HG21 VAL B 31 112.291 52.870 49.718 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.775 54.544 49.400 1.00 0.00 H new ATOM 0 HG23 VAL B 31 110.565 53.298 49.788 1.00 0.00 H new ATOM 1259 N ASP B 32 109.762 52.392 45.502 1.00 0.00 N ATOM 1260 CA ASP B 32 109.511 51.919 44.115 1.00 0.00 C ATOM 1261 C ASP B 32 108.338 52.691 43.505 1.00 0.00 C ATOM 1262 O ASP B 32 108.355 53.042 42.342 1.00 0.00 O ATOM 1263 CB ASP B 32 109.171 50.439 44.274 1.00 0.00 C ATOM 1264 CG ASP B 32 109.875 49.630 43.185 1.00 0.00 C ATOM 1265 OD1 ASP B 32 109.878 50.077 42.050 1.00 0.00 O ATOM 1266 OD2 ASP B 32 110.400 48.576 43.504 1.00 0.00 O ATOM 0 H ASP B 32 109.700 51.672 46.222 1.00 0.00 H new ATOM 0 HA ASP B 32 110.363 52.072 43.452 1.00 0.00 H new ATOM 0 HB2 ASP B 32 109.480 50.088 45.259 1.00 0.00 H new ATOM 0 HB3 ASP B 32 108.093 50.294 44.208 1.00 0.00 H new ATOM 1271 N PHE B 33 107.323 52.965 44.280 1.00 0.00 N ATOM 1272 CA PHE B 33 106.162 53.723 43.732 1.00 0.00 C ATOM 1273 C PHE B 33 106.628 55.094 43.238 1.00 0.00 C ATOM 1274 O PHE B 33 106.292 55.522 42.151 1.00 0.00 O ATOM 1275 CB PHE B 33 105.187 53.876 44.901 1.00 0.00 C ATOM 1276 CG PHE B 33 103.996 54.687 44.450 1.00 0.00 C ATOM 1277 CD1 PHE B 33 103.206 54.239 43.368 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.677 55.898 45.104 1.00 0.00 C ATOM 1279 CE1 PHE B 33 102.096 55.002 42.941 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.567 56.661 44.676 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.777 56.213 43.596 1.00 0.00 C ATOM 0 H PHE B 33 107.248 52.699 45.262 1.00 0.00 H new ATOM 0 HA PHE B 33 105.697 53.214 42.888 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.863 52.896 45.251 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.680 54.367 45.740 1.00 0.00 H new ATOM 0 HD1 PHE B 33 103.450 53.314 42.867 1.00 0.00 H new ATOM 0 HD2 PHE B 33 104.281 56.241 45.931 1.00 0.00 H new ATOM 0 HE1 PHE B 33 101.491 54.660 42.114 1.00 0.00 H new ATOM 0 HE2 PHE B 33 102.323 57.587 45.176 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.928 56.796 43.270 1.00 0.00 H new ATOM 1291 N ALA B 34 107.404 55.783 44.029 1.00 0.00 N ATOM 1292 CA ALA B 34 107.902 57.127 43.612 1.00 0.00 C ATOM 1293 C ALA B 34 108.528 57.053 42.217 1.00 0.00 C ATOM 1294 O ALA B 34 108.377 57.950 41.410 1.00 0.00 O ATOM 1295 CB ALA B 34 108.958 57.497 44.655 1.00 0.00 C ATOM 0 H ALA B 34 107.716 55.473 44.949 1.00 0.00 H new ATOM 0 HA ALA B 34 107.102 57.866 43.560 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.375 58.476 44.419 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.499 57.526 45.643 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.754 56.752 44.647 1.00 0.00 H new ATOM 1301 N VAL B 35 109.231 55.994 41.926 1.00 0.00 N ATOM 1302 CA VAL B 35 109.865 55.866 40.589 1.00 0.00 C ATOM 1303 C VAL B 35 108.800 55.614 39.518 1.00 0.00 C ATOM 1304 O VAL B 35 108.704 56.333 38.544 1.00 0.00 O ATOM 1305 CB VAL B 35 110.793 54.661 40.720 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.571 54.479 39.421 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.775 54.894 41.871 1.00 0.00 C ATOM 0 H VAL B 35 109.393 55.211 42.560 1.00 0.00 H new ATOM 0 HA VAL B 35 110.400 56.768 40.291 1.00 0.00 H new ATOM 0 HB VAL B 35 110.202 53.768 40.922 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.235 53.619 39.512 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.874 54.314 38.599 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.161 55.373 39.222 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.437 54.033 41.964 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.367 55.787 41.669 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.221 55.028 42.800 1.00 0.00 H new ATOM 1317 N GLU B 36 108.001 54.596 39.688 1.00 0.00 N ATOM 1318 CA GLU B 36 106.945 54.295 38.677 1.00 0.00 C ATOM 1319 C GLU B 36 106.051 55.520 38.450 1.00 0.00 C ATOM 1320 O GLU B 36 105.635 55.799 37.343 1.00 0.00 O ATOM 1321 CB GLU B 36 106.135 53.147 39.280 1.00 0.00 C ATOM 1322 CG GLU B 36 107.035 51.923 39.453 1.00 0.00 C ATOM 1323 CD GLU B 36 106.221 50.651 39.205 1.00 0.00 C ATOM 1324 OE1 GLU B 36 105.007 50.722 39.291 1.00 0.00 O ATOM 1325 OE2 GLU B 36 106.828 49.628 38.932 1.00 0.00 O ATOM 0 H GLU B 36 108.033 53.959 40.484 1.00 0.00 H new ATOM 0 HA GLU B 36 107.370 54.033 37.708 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.721 53.446 40.243 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.292 52.903 38.633 1.00 0.00 H new ATOM 0 HG2 GLU B 36 107.872 51.973 38.757 1.00 0.00 H new ATOM 0 HG3 GLU B 36 107.456 51.908 40.458 1.00 0.00 H new ATOM 1332 N TYR B 37 105.748 56.246 39.490 1.00 0.00 N ATOM 1333 CA TYR B 37 104.875 57.446 39.333 1.00 0.00 C ATOM 1334 C TYR B 37 105.601 58.538 38.538 1.00 0.00 C ATOM 1335 O TYR B 37 105.196 58.901 37.451 1.00 0.00 O ATOM 1336 CB TYR B 37 104.590 57.915 40.761 1.00 0.00 C ATOM 1337 CG TYR B 37 103.810 59.209 40.727 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.724 59.358 39.836 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.170 60.272 41.586 1.00 0.00 C ATOM 1340 CE1 TYR B 37 101.998 60.569 39.803 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.444 61.484 41.553 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.357 61.632 40.662 1.00 0.00 C ATOM 1343 OH TYR B 37 101.649 62.816 40.629 1.00 0.00 O ATOM 0 H TYR B 37 106.066 56.062 40.441 1.00 0.00 H new ATOM 0 HA TYR B 37 103.959 57.221 38.787 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.025 57.153 41.298 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.526 58.058 41.301 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.449 58.546 39.180 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.000 60.158 42.268 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.168 60.683 39.121 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.720 62.297 42.208 1.00 0.00 H new ATOM 0 HH TYR B 37 100.809 62.709 41.123 1.00 0.00 H new ATOM 1353 N PHE B 38 106.663 59.071 39.077 1.00 0.00 N ATOM 1354 CA PHE B 38 107.406 60.147 38.359 1.00 0.00 C ATOM 1355 C PHE B 38 107.925 59.640 37.009 1.00 0.00 C ATOM 1356 O PHE B 38 107.808 60.308 36.000 1.00 0.00 O ATOM 1357 CB PHE B 38 108.568 60.505 39.283 1.00 0.00 C ATOM 1358 CG PHE B 38 108.035 61.190 40.520 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.099 62.241 40.395 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.470 60.780 41.799 1.00 0.00 C ATOM 1361 CE1 PHE B 38 106.598 62.883 41.550 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.971 61.422 42.955 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.035 62.473 42.831 1.00 0.00 C ATOM 0 H PHE B 38 107.049 58.808 39.984 1.00 0.00 H new ATOM 0 HA PHE B 38 106.773 61.008 38.143 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.117 59.605 39.561 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.270 61.159 38.766 1.00 0.00 H new ATOM 0 HD1 PHE B 38 106.766 62.554 39.416 1.00 0.00 H new ATOM 0 HD2 PHE B 38 109.184 59.976 41.894 1.00 0.00 H new ATOM 0 HE1 PHE B 38 105.882 63.686 41.454 1.00 0.00 H new ATOM 0 HE2 PHE B 38 108.305 61.109 43.933 1.00 0.00 H new ATOM 0 HZ PHE B 38 106.653 62.963 43.714 1.00 0.00 H new ATOM 1373 N THR B 39 108.502 58.469 36.977 1.00 0.00 N ATOM 1374 CA THR B 39 109.028 57.935 35.686 1.00 0.00 C ATOM 1375 C THR B 39 107.913 57.882 34.638 1.00 0.00 C ATOM 1376 O THR B 39 108.113 58.226 33.489 1.00 0.00 O ATOM 1377 CB THR B 39 109.526 56.527 36.011 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.552 56.604 36.990 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.076 55.873 34.743 1.00 0.00 C ATOM 0 H THR B 39 108.632 57.860 37.785 1.00 0.00 H new ATOM 0 HA THR B 39 109.819 58.562 35.274 1.00 0.00 H new ATOM 0 HB THR B 39 108.700 55.929 36.396 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.153 56.766 37.870 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.431 54.869 34.976 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.288 55.814 33.993 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.902 56.469 34.355 1.00 0.00 H new ATOM 1387 N ARG B 40 106.741 57.455 35.021 1.00 0.00 N ATOM 1388 CA ARG B 40 105.618 57.381 34.041 1.00 0.00 C ATOM 1389 C ARG B 40 105.088 58.784 33.734 1.00 0.00 C ATOM 1390 O ARG B 40 104.550 59.039 32.674 1.00 0.00 O ATOM 1391 CB ARG B 40 104.542 56.543 34.732 1.00 0.00 C ATOM 1392 CG ARG B 40 103.539 56.041 33.691 1.00 0.00 C ATOM 1393 CD ARG B 40 103.097 54.621 34.051 1.00 0.00 C ATOM 1394 NE ARG B 40 102.016 54.297 33.080 1.00 0.00 N ATOM 1395 CZ ARG B 40 101.275 53.238 33.258 1.00 0.00 C ATOM 1396 NH1 ARG B 40 101.822 52.114 33.634 1.00 0.00 N ATOM 1397 NH2 ARG B 40 99.986 53.302 33.062 1.00 0.00 N ATOM 0 H ARG B 40 106.512 57.154 35.968 1.00 0.00 H new ATOM 0 HA ARG B 40 105.929 56.944 33.092 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.999 55.699 35.249 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.030 57.140 35.487 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.675 56.704 33.654 1.00 0.00 H new ATOM 0 HG3 ARG B 40 103.992 56.052 32.699 1.00 0.00 H new ATOM 0 HD2 ARG B 40 103.925 53.917 33.969 1.00 0.00 H new ATOM 0 HD3 ARG B 40 102.734 54.569 35.078 1.00 0.00 H new ATOM 0 HE ARG B 40 101.855 54.903 32.276 1.00 0.00 H new ATOM 0 HH11 ARG B 40 102.829 52.064 33.789 1.00 0.00 H new ATOM 0 HH12 ARG B 40 101.242 51.286 33.773 1.00 0.00 H new ATOM 0 HH21 ARG B 40 99.558 54.180 32.770 1.00 0.00 H new ATOM 0 HH22 ARG B 40 99.407 52.474 33.201 1.00 0.00 H new ATOM 1411 N LEU B 41 105.235 59.697 34.655 1.00 0.00 N ATOM 1412 CA LEU B 41 104.738 61.083 34.417 1.00 0.00 C ATOM 1413 C LEU B 41 105.436 61.696 33.200 1.00 0.00 C ATOM 1414 O LEU B 41 104.843 62.432 32.437 1.00 0.00 O ATOM 1415 CB LEU B 41 105.097 61.855 35.686 1.00 0.00 C ATOM 1416 CG LEU B 41 103.947 62.792 36.057 1.00 0.00 C ATOM 1417 CD1 LEU B 41 102.731 61.964 36.475 1.00 0.00 C ATOM 1418 CD2 LEU B 41 104.377 63.690 37.218 1.00 0.00 C ATOM 0 H LEU B 41 105.677 59.544 35.561 1.00 0.00 H new ATOM 0 HA LEU B 41 103.668 61.108 34.213 1.00 0.00 H new ATOM 0 HB2 LEU B 41 105.292 61.161 36.503 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.011 62.428 35.529 1.00 0.00 H new ATOM 0 HG LEU B 41 103.688 63.409 35.197 1.00 0.00 H new ATOM 0 HD11 LEU B 41 101.910 62.631 36.740 1.00 0.00 H new ATOM 0 HD12 LEU B 41 102.425 61.323 35.648 1.00 0.00 H new ATOM 0 HD13 LEU B 41 102.989 61.347 37.336 1.00 0.00 H new ATOM 0 HD21 LEU B 41 103.558 64.359 37.484 1.00 0.00 H new ATOM 0 HD22 LEU B 41 104.635 63.073 38.079 1.00 0.00 H new ATOM 0 HD23 LEU B 41 105.244 64.279 36.920 1.00 0.00 H new ATOM 1430 N ARG B 42 106.694 61.402 33.016 1.00 0.00 N ATOM 1431 CA ARG B 42 107.429 61.971 31.850 1.00 0.00 C ATOM 1432 C ARG B 42 106.721 61.606 30.543 1.00 0.00 C ATOM 1433 O ARG B 42 106.615 62.409 29.638 1.00 0.00 O ATOM 1434 CB ARG B 42 108.816 61.330 31.907 1.00 0.00 C ATOM 1435 CG ARG B 42 109.550 61.811 33.161 1.00 0.00 C ATOM 1436 CD ARG B 42 110.653 62.795 32.761 1.00 0.00 C ATOM 1437 NE ARG B 42 111.668 61.967 32.053 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.403 62.497 31.112 1.00 0.00 C ATOM 1439 NH1 ARG B 42 112.681 63.771 31.139 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.859 61.750 30.144 1.00 0.00 N ATOM 0 H ARG B 42 107.244 60.793 33.622 1.00 0.00 H new ATOM 0 HA ARG B 42 107.480 63.059 31.886 1.00 0.00 H new ATOM 0 HB2 ARG B 42 108.726 60.244 31.920 1.00 0.00 H new ATOM 0 HB3 ARG B 42 109.386 61.592 31.016 1.00 0.00 H new ATOM 0 HG2 ARG B 42 108.849 62.292 33.844 1.00 0.00 H new ATOM 0 HG3 ARG B 42 109.980 60.962 33.692 1.00 0.00 H new ATOM 0 HD2 ARG B 42 110.265 63.582 32.114 1.00 0.00 H new ATOM 0 HD3 ARG B 42 111.082 63.284 33.636 1.00 0.00 H new ATOM 0 HE ARG B 42 111.789 60.986 32.303 1.00 0.00 H new ATOM 0 HH11 ARG B 42 112.324 64.355 31.896 1.00 0.00 H new ATOM 0 HH12 ARG B 42 113.255 64.183 30.404 1.00 0.00 H new ATOM 0 HH21 ARG B 42 112.641 60.754 30.123 1.00 0.00 H new ATOM 0 HH22 ARG B 42 113.433 62.162 29.409 1.00 0.00 H new ATOM 1454 N GLU B 43 106.234 60.399 30.436 1.00 0.00 N ATOM 1455 CA GLU B 43 105.533 59.988 29.187 1.00 0.00 C ATOM 1456 C GLU B 43 104.092 60.505 29.194 1.00 0.00 C ATOM 1457 O GLU B 43 103.522 60.797 28.161 1.00 0.00 O ATOM 1458 CB GLU B 43 105.556 58.459 29.204 1.00 0.00 C ATOM 1459 CG GLU B 43 106.969 57.965 28.889 1.00 0.00 C ATOM 1460 CD GLU B 43 107.103 57.725 27.383 1.00 0.00 C ATOM 1461 OE1 GLU B 43 106.305 56.973 26.850 1.00 0.00 O ATOM 1462 OE2 GLU B 43 108.001 58.299 26.790 1.00 0.00 O ATOM 0 H GLU B 43 106.291 59.681 31.159 1.00 0.00 H new ATOM 0 HA GLU B 43 106.010 60.392 28.294 1.00 0.00 H new ATOM 0 HB2 GLU B 43 105.240 58.091 30.180 1.00 0.00 H new ATOM 0 HB3 GLU B 43 104.851 58.066 28.472 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.704 58.700 29.218 1.00 0.00 H new ATOM 0 HG3 GLU B 43 107.173 57.044 29.434 1.00 0.00 H new ATOM 1469 N ALA B 44 103.501 60.621 30.351 1.00 0.00 N ATOM 1470 CA ALA B 44 102.096 61.121 30.426 1.00 0.00 C ATOM 1471 C ALA B 44 101.961 62.439 29.670 1.00 0.00 C ATOM 1472 O ALA B 44 101.356 62.511 28.620 1.00 0.00 O ATOM 1473 CB ALA B 44 101.832 61.356 31.911 1.00 0.00 C ATOM 0 H ALA B 44 103.928 60.392 31.248 1.00 0.00 H new ATOM 0 HA ALA B 44 101.393 60.414 29.984 1.00 0.00 H new ATOM 0 HB1 ALA B 44 100.815 61.726 32.046 1.00 0.00 H new ATOM 0 HB2 ALA B 44 101.953 60.419 32.455 1.00 0.00 H new ATOM 0 HB3 ALA B 44 102.539 62.092 32.294 1.00 0.00 H new ATOM 1479 N ARG B 45 102.515 63.489 30.211 1.00 0.00 N ATOM 1480 CA ARG B 45 102.417 64.815 29.544 1.00 0.00 C ATOM 1481 C ARG B 45 102.827 64.706 28.072 1.00 0.00 C ATOM 1482 O ARG B 45 102.218 65.294 27.202 1.00 0.00 O ATOM 1483 CB ARG B 45 103.389 65.716 30.306 1.00 0.00 C ATOM 1484 CG ARG B 45 102.747 66.173 31.616 1.00 0.00 C ATOM 1485 CD ARG B 45 101.922 67.437 31.366 1.00 0.00 C ATOM 1486 NE ARG B 45 101.579 67.946 32.723 1.00 0.00 N ATOM 1487 CZ ARG B 45 100.616 68.814 32.869 1.00 0.00 C ATOM 1488 NH1 ARG B 45 99.380 68.408 32.963 1.00 0.00 N ATOM 1489 NH2 ARG B 45 100.890 70.090 32.920 1.00 0.00 N ATOM 0 H ARG B 45 103.033 63.484 31.090 1.00 0.00 H new ATOM 0 HA ARG B 45 101.400 65.207 29.559 1.00 0.00 H new ATOM 0 HB2 ARG B 45 104.314 65.178 30.511 1.00 0.00 H new ATOM 0 HB3 ARG B 45 103.652 66.581 29.697 1.00 0.00 H new ATOM 0 HG2 ARG B 45 102.111 65.384 32.016 1.00 0.00 H new ATOM 0 HG3 ARG B 45 103.517 66.370 32.362 1.00 0.00 H new ATOM 0 HD2 ARG B 45 102.491 68.174 30.800 1.00 0.00 H new ATOM 0 HD3 ARG B 45 101.024 67.215 30.789 1.00 0.00 H new ATOM 0 HE ARG B 45 102.097 67.616 33.538 1.00 0.00 H new ATOM 0 HH11 ARG B 45 99.166 67.412 32.922 1.00 0.00 H new ATOM 0 HH12 ARG B 45 98.627 69.087 33.077 1.00 0.00 H new ATOM 0 HH21 ARG B 45 101.856 70.407 32.846 1.00 0.00 H new ATOM 0 HH22 ARG B 45 100.137 70.769 33.034 1.00 0.00 H new ATOM 1503 N ARG B 46 103.857 63.958 27.794 1.00 0.00 N ATOM 1504 CA ARG B 46 104.311 63.808 26.382 1.00 0.00 C ATOM 1505 C ARG B 46 104.404 62.326 26.011 1.00 0.00 C ATOM 1506 O ARG B 46 105.281 61.657 26.536 1.00 0.00 O ATOM 1507 CB ARG B 46 105.695 64.458 26.342 1.00 0.00 C ATOM 1508 CG ARG B 46 106.195 64.506 24.899 1.00 0.00 C ATOM 1509 CD ARG B 46 106.891 65.843 24.642 1.00 0.00 C ATOM 1510 NE ARG B 46 107.543 65.687 23.313 1.00 0.00 N ATOM 1511 CZ ARG B 46 108.578 66.418 23.004 1.00 0.00 C ATOM 1512 NH1 ARG B 46 108.410 67.577 22.431 1.00 0.00 N ATOM 1513 NH2 ARG B 46 109.782 65.988 23.269 1.00 0.00 N ATOM 1514 OXT ARG B 46 103.599 61.884 25.209 1.00 0.00 O ATOM 0 H ARG B 46 104.405 63.443 28.483 1.00 0.00 H new ATOM 0 HA ARG B 46 103.622 64.269 25.675 1.00 0.00 H new ATOM 0 HB2 ARG B 46 105.647 65.466 26.755 1.00 0.00 H new ATOM 0 HB3 ARG B 46 106.392 63.893 26.961 1.00 0.00 H new ATOM 0 HG2 ARG B 46 106.886 63.683 24.715 1.00 0.00 H new ATOM 0 HG3 ARG B 46 105.360 64.381 24.210 1.00 0.00 H new ATOM 0 HD2 ARG B 46 106.176 66.666 24.637 1.00 0.00 H new ATOM 0 HD3 ARG B 46 107.624 66.062 25.418 1.00 0.00 H new ATOM 0 HE ARG B 46 107.180 65.008 22.644 1.00 0.00 H new ATOM 0 HH11 ARG B 46 107.469 67.912 22.224 1.00 0.00 H new ATOM 0 HH12 ARG B 46 109.220 68.149 22.189 1.00 0.00 H new ATOM 0 HH21 ARG B 46 109.913 65.081 23.717 1.00 0.00 H new ATOM 0 HH22 ARG B 46 110.592 66.559 23.028 1.00 0.00 H new TER 1528 ARG B 46