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 X(o=0,f=-0.09) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.367 F(o=-1,f=-0.37) USER MOD Single : A 6 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.083) 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 -35:sc= -2.92 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0803 USER MOD Single : A 25 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.015) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 113:sc= -1.59! USER MOD Single : B 1 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : B 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS :FLIP no HD1:sc= -0.386 F(o=-0.94,f=-0.39) USER MOD Single : B 6 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.064) 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 -34:sc= -2.92 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : B 25 GLN : amide:sc= -0.0485 X(o=-0.048,f=-0.0016) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 112:sc= -1.5! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 88.271 50.009 71.939 1.00 0.00 N ATOM 2 CA HIS A 1 86.997 49.939 71.167 1.00 0.00 C ATOM 3 C HIS A 1 87.091 50.805 69.908 1.00 0.00 C ATOM 4 O HIS A 1 87.056 50.311 68.798 1.00 0.00 O ATOM 5 CB HIS A 1 85.930 50.486 72.115 1.00 0.00 C ATOM 6 CG HIS A 1 85.235 49.342 72.799 1.00 0.00 C ATOM 7 ND1 HIS A 1 85.896 48.490 73.670 1.00 0.00 N ATOM 8 CD2 HIS A 1 83.938 48.895 72.750 1.00 0.00 C ATOM 9 CE1 HIS A 1 85.004 47.582 74.106 1.00 0.00 C ATOM 10 NE2 HIS A 1 83.794 47.784 73.575 1.00 0.00 N ATOM 0 H1 HIS A 1 88.194 49.417 72.791 1.00 0.00 H new ATOM 0 H2 HIS A 1 89.054 49.665 71.348 1.00 0.00 H new ATOM 0 H3 HIS A 1 88.454 50.994 72.218 1.00 0.00 H new ATOM 0 HA HIS A 1 86.770 48.925 70.837 1.00 0.00 H new ATOM 0 HB2 HIS A 1 86.388 51.143 72.855 1.00 0.00 H new ATOM 0 HB3 HIS A 1 85.208 51.085 71.560 1.00 0.00 H new ATOM 0 HD2 HIS A 1 83.149 49.338 72.161 1.00 0.00 H new ATOM 0 HE1 HIS A 1 85.237 46.788 74.800 1.00 0.00 H new ATOM 0 HE2 HIS A 1 82.947 47.240 73.739 1.00 0.00 H new ATOM 20 N MET A 2 87.212 52.094 70.072 1.00 0.00 N ATOM 21 CA MET A 2 87.309 52.991 68.884 1.00 0.00 C ATOM 22 C MET A 2 88.773 53.352 68.614 1.00 0.00 C ATOM 23 O MET A 2 89.380 54.111 69.344 1.00 0.00 O ATOM 24 CB MET A 2 86.512 54.239 69.263 1.00 0.00 C ATOM 25 CG MET A 2 85.190 54.255 68.494 1.00 0.00 C ATOM 26 SD MET A 2 84.051 55.425 69.277 1.00 0.00 S ATOM 27 CE MET A 2 82.880 55.554 67.904 1.00 0.00 C ATOM 0 H MET A 2 87.248 52.565 70.976 1.00 0.00 H new ATOM 0 HA MET A 2 86.924 52.521 67.979 1.00 0.00 H new ATOM 0 HB2 MET A 2 86.321 54.249 70.336 1.00 0.00 H new ATOM 0 HB3 MET A 2 87.089 55.135 69.034 1.00 0.00 H new ATOM 0 HG2 MET A 2 85.364 54.539 67.456 1.00 0.00 H new ATOM 0 HG3 MET A 2 84.752 53.257 68.482 1.00 0.00 H new ATOM 0 HE1 MET A 2 82.077 56.240 68.174 1.00 0.00 H new ATOM 0 HE2 MET A 2 83.396 55.929 67.020 1.00 0.00 H new ATOM 0 HE3 MET A 2 82.461 54.571 67.690 1.00 0.00 H new ATOM 37 N GLY A 3 89.343 52.816 67.570 1.00 0.00 N ATOM 38 CA GLY A 3 90.766 53.130 67.256 1.00 0.00 C ATOM 39 C GLY A 3 90.846 54.483 66.547 1.00 0.00 C ATOM 40 O GLY A 3 89.913 55.261 66.568 1.00 0.00 O ATOM 0 H GLY A 3 88.886 52.175 66.921 1.00 0.00 H new ATOM 0 HA2 GLY A 3 91.355 53.153 68.173 1.00 0.00 H new ATOM 0 HA3 GLY A 3 91.190 52.350 66.623 1.00 0.00 H new ATOM 44 N HIS A 4 91.954 54.771 65.920 1.00 0.00 N ATOM 45 CA HIS A 4 92.092 56.076 65.211 1.00 0.00 C ATOM 46 C HIS A 4 92.984 55.915 63.977 1.00 0.00 C ATOM 47 O HIS A 4 93.978 55.215 64.004 1.00 0.00 O ATOM 48 CB HIS A 4 92.748 57.011 66.227 1.00 0.00 C ATOM 49 CG HIS A 4 91.695 57.593 67.128 1.00 0.00 C ATOM 50 ND1 HIS A 4 90.427 58.058 66.876 1.00 0.00 N flip ATOM 51 CD2 HIS A 4 91.893 57.755 68.490 1.00 0.00 C flip ATOM 52 CE1 HIS A 4 89.846 58.501 68.060 1.00 0.00 C flip ATOM 53 NE2 HIS A 4 90.772 58.297 69.002 1.00 0.00 N flip ATOM 0 H HIS A 4 92.769 54.160 65.868 1.00 0.00 H new ATOM 0 HA HIS A 4 91.133 56.460 64.863 1.00 0.00 H new ATOM 0 HB2 HIS A 4 93.484 56.465 66.817 1.00 0.00 H new ATOM 0 HB3 HIS A 4 93.281 57.809 65.711 1.00 0.00 H new ATOM 0 HD2 HIS A 4 92.785 57.494 69.041 1.00 0.00 H new ATOM 0 HE1 HIS A 4 88.859 58.920 68.190 1.00 0.00 H new ATOM 0 HE2 HIS A 4 90.645 58.524 69.988 1.00 0.00 H new ATOM 61 N ILE A 5 92.637 56.556 62.895 1.00 0.00 N ATOM 62 CA ILE A 5 93.466 56.440 61.660 1.00 0.00 C ATOM 63 C ILE A 5 94.341 57.685 61.493 1.00 0.00 C ATOM 64 O ILE A 5 94.020 58.752 61.977 1.00 0.00 O ATOM 65 CB ILE A 5 92.459 56.335 60.516 1.00 0.00 C ATOM 66 CG1 ILE A 5 91.597 55.086 60.710 1.00 0.00 C ATOM 67 CG2 ILE A 5 93.206 56.237 59.185 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.491 53.845 60.710 1.00 0.00 C ATOM 0 H ILE A 5 91.816 57.155 62.812 1.00 0.00 H new ATOM 0 HA ILE A 5 94.137 55.582 61.691 1.00 0.00 H new ATOM 0 HB ILE A 5 91.822 57.220 60.510 1.00 0.00 H new ATOM 0 HG12 ILE A 5 91.048 55.152 61.649 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.857 55.014 59.913 1.00 0.00 H new ATOM 0 HG21 ILE A 5 92.487 56.162 58.369 1.00 0.00 H new ATOM 0 HG22 ILE A 5 93.821 57.126 59.046 1.00 0.00 H new ATOM 0 HG23 ILE A 5 93.843 55.353 59.190 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.878 52.955 60.848 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.020 53.777 59.759 1.00 0.00 H new ATOM 0 HD13 ILE A 5 93.214 53.917 61.523 1.00 0.00 H new ATOM 80 N GLN A 6 95.447 57.557 60.811 1.00 0.00 N ATOM 81 CA GLN A 6 96.341 58.734 60.616 1.00 0.00 C ATOM 82 C GLN A 6 97.368 58.445 59.517 1.00 0.00 C ATOM 83 O GLN A 6 97.409 57.364 58.961 1.00 0.00 O ATOM 84 CB GLN A 6 97.039 58.928 61.962 1.00 0.00 C ATOM 85 CG GLN A 6 96.766 60.342 62.479 1.00 0.00 C ATOM 86 CD GLN A 6 97.954 60.819 63.316 1.00 0.00 C ATOM 87 OE1 GLN A 6 97.786 61.258 64.436 1.00 0.00 O ATOM 88 NE2 GLN A 6 99.158 60.750 62.817 1.00 0.00 N ATOM 0 H GLN A 6 95.770 56.690 60.381 1.00 0.00 H new ATOM 0 HA GLN A 6 95.790 59.623 60.309 1.00 0.00 H new ATOM 0 HB2 GLN A 6 96.679 58.191 62.680 1.00 0.00 H new ATOM 0 HB3 GLN A 6 98.112 58.770 61.853 1.00 0.00 H new ATOM 0 HG2 GLN A 6 96.602 61.021 61.642 1.00 0.00 H new ATOM 0 HG3 GLN A 6 95.857 60.351 63.080 1.00 0.00 H new ATOM 0 HE21 GLN A 6 99.300 60.381 61.877 1.00 0.00 H new ATOM 0 HE22 GLN A 6 99.957 61.065 63.367 1.00 0.00 H new ATOM 97 N ILE A 7 98.198 59.400 59.203 1.00 0.00 N ATOM 98 CA ILE A 7 99.223 59.181 58.142 1.00 0.00 C ATOM 99 C ILE A 7 100.351 58.289 58.683 1.00 0.00 C ATOM 100 O ILE A 7 100.806 58.483 59.792 1.00 0.00 O ATOM 101 CB ILE A 7 99.755 60.577 57.813 1.00 0.00 C ATOM 102 CG1 ILE A 7 98.591 61.492 57.421 1.00 0.00 C ATOM 103 CG2 ILE A 7 100.745 60.488 56.651 1.00 0.00 C ATOM 104 CD1 ILE A 7 97.872 60.916 56.197 1.00 0.00 C ATOM 0 H ILE A 7 98.212 60.324 59.635 1.00 0.00 H new ATOM 0 HA ILE A 7 98.814 58.684 57.262 1.00 0.00 H new ATOM 0 HB ILE A 7 100.259 60.985 58.689 1.00 0.00 H new ATOM 0 HG12 ILE A 7 97.894 61.587 58.253 1.00 0.00 H new ATOM 0 HG13 ILE A 7 98.961 62.493 57.200 1.00 0.00 H new ATOM 0 HG21 ILE A 7 101.123 61.483 56.418 1.00 0.00 H new ATOM 0 HG22 ILE A 7 101.576 59.840 56.930 1.00 0.00 H new ATOM 0 HG23 ILE A 7 100.242 60.077 55.776 1.00 0.00 H new ATOM 0 HD11 ILE A 7 97.044 61.569 55.920 1.00 0.00 H new ATOM 0 HD12 ILE A 7 98.572 60.844 55.364 1.00 0.00 H new ATOM 0 HD13 ILE A 7 97.488 59.924 56.434 1.00 0.00 H new ATOM 116 N PRO A 8 100.769 57.336 57.884 1.00 0.00 N ATOM 117 CA PRO A 8 101.855 56.419 58.311 1.00 0.00 C ATOM 118 C PRO A 8 103.203 57.156 58.338 1.00 0.00 C ATOM 119 O PRO A 8 103.499 57.925 57.446 1.00 0.00 O ATOM 120 CB PRO A 8 101.852 55.332 57.242 1.00 0.00 C ATOM 121 CG PRO A 8 101.256 55.980 56.038 1.00 0.00 C ATOM 122 CD PRO A 8 100.288 57.022 56.532 1.00 0.00 C ATOM 0 HA PRO A 8 101.707 56.022 59.315 1.00 0.00 H new ATOM 0 HB2 PRO A 8 102.862 54.974 57.039 1.00 0.00 H new ATOM 0 HB3 PRO A 8 101.265 54.469 57.557 1.00 0.00 H new ATOM 0 HG2 PRO A 8 102.031 56.435 55.422 1.00 0.00 H new ATOM 0 HG3 PRO A 8 100.746 55.244 55.417 1.00 0.00 H new ATOM 0 HD2 PRO A 8 100.290 57.904 55.892 1.00 0.00 H new ATOM 0 HD3 PRO A 8 99.266 56.642 56.549 1.00 0.00 H new ATOM 130 N PRO A 9 103.980 56.900 59.364 1.00 0.00 N ATOM 131 CA PRO A 9 105.304 57.559 59.491 1.00 0.00 C ATOM 132 C PRO A 9 106.288 56.980 58.471 1.00 0.00 C ATOM 133 O PRO A 9 106.034 55.961 57.858 1.00 0.00 O ATOM 134 CB PRO A 9 105.737 57.229 60.916 1.00 0.00 C ATOM 135 CG PRO A 9 105.001 55.975 61.264 1.00 0.00 C ATOM 136 CD PRO A 9 103.710 55.990 60.486 1.00 0.00 C ATOM 0 HA PRO A 9 105.268 58.632 59.303 1.00 0.00 H new ATOM 0 HB2 PRO A 9 106.816 57.083 60.977 1.00 0.00 H new ATOM 0 HB3 PRO A 9 105.485 58.038 61.602 1.00 0.00 H new ATOM 0 HG2 PRO A 9 105.594 55.097 61.009 1.00 0.00 H new ATOM 0 HG3 PRO A 9 104.805 55.928 62.335 1.00 0.00 H new ATOM 0 HD2 PRO A 9 103.444 54.993 60.136 1.00 0.00 H new ATOM 0 HD3 PRO A 9 102.880 56.345 61.097 1.00 0.00 H new ATOM 144 N GLY A 10 107.410 57.620 58.285 1.00 0.00 N ATOM 145 CA GLY A 10 108.409 57.106 57.306 1.00 0.00 C ATOM 146 C GLY A 10 108.316 57.914 56.011 1.00 0.00 C ATOM 147 O GLY A 10 109.311 58.220 55.385 1.00 0.00 O ATOM 0 H GLY A 10 107.678 58.477 58.769 1.00 0.00 H new ATOM 0 HA2 GLY A 10 109.414 57.180 57.722 1.00 0.00 H new ATOM 0 HA3 GLY A 10 108.225 56.051 57.103 1.00 0.00 H new ATOM 151 N LEU A 11 107.126 58.263 55.603 1.00 0.00 N ATOM 152 CA LEU A 11 106.967 59.052 54.347 1.00 0.00 C ATOM 153 C LEU A 11 107.373 60.511 54.580 1.00 0.00 C ATOM 154 O LEU A 11 107.654 61.241 53.652 1.00 0.00 O ATOM 155 CB LEU A 11 105.479 58.958 54.005 1.00 0.00 C ATOM 156 CG LEU A 11 105.182 59.816 52.775 1.00 0.00 C ATOM 157 CD1 LEU A 11 104.286 59.033 51.812 1.00 0.00 C ATOM 158 CD2 LEU A 11 104.466 61.097 53.209 1.00 0.00 C ATOM 0 H LEU A 11 106.256 58.036 56.085 1.00 0.00 H new ATOM 0 HA LEU A 11 107.596 58.674 53.541 1.00 0.00 H new ATOM 0 HB2 LEU A 11 105.204 57.921 53.813 1.00 0.00 H new ATOM 0 HB3 LEU A 11 104.879 59.295 54.850 1.00 0.00 H new ATOM 0 HG LEU A 11 106.116 60.072 52.276 1.00 0.00 H new ATOM 0 HD11 LEU A 11 104.074 59.644 50.935 1.00 0.00 H new ATOM 0 HD12 LEU A 11 104.794 58.119 51.504 1.00 0.00 H new ATOM 0 HD13 LEU A 11 103.351 58.777 52.311 1.00 0.00 H new ATOM 0 HD21 LEU A 11 104.254 61.710 52.333 1.00 0.00 H new ATOM 0 HD22 LEU A 11 103.531 60.840 53.708 1.00 0.00 H new ATOM 0 HD23 LEU A 11 105.102 61.655 53.896 1.00 0.00 H new ATOM 170 N THR A 12 107.404 60.941 55.813 1.00 0.00 N ATOM 171 CA THR A 12 107.789 62.352 56.101 1.00 0.00 C ATOM 172 C THR A 12 109.278 62.565 55.820 1.00 0.00 C ATOM 173 O THR A 12 109.661 63.438 55.067 1.00 0.00 O ATOM 174 CB THR A 12 107.491 62.547 57.588 1.00 0.00 C ATOM 175 OG1 THR A 12 106.096 62.395 57.812 1.00 0.00 O ATOM 176 CG2 THR A 12 107.929 63.947 58.019 1.00 0.00 C ATOM 0 H THR A 12 107.179 60.376 56.632 1.00 0.00 H new ATOM 0 HA THR A 12 107.246 63.063 55.478 1.00 0.00 H new ATOM 0 HB THR A 12 108.037 61.804 58.169 1.00 0.00 H new ATOM 0 HG1 THR A 12 105.902 62.518 58.765 1.00 0.00 H new ATOM 0 HG21 THR A 12 107.716 64.085 59.079 1.00 0.00 H new ATOM 0 HG22 THR A 12 108.999 64.063 57.846 1.00 0.00 H new ATOM 0 HG23 THR A 12 107.385 64.693 57.440 1.00 0.00 H new ATOM 184 N GLU A 13 110.120 61.772 56.421 1.00 0.00 N ATOM 185 CA GLU A 13 111.586 61.926 56.192 1.00 0.00 C ATOM 186 C GLU A 13 111.898 61.878 54.695 1.00 0.00 C ATOM 187 O GLU A 13 112.762 62.582 54.209 1.00 0.00 O ATOM 188 CB GLU A 13 112.225 60.736 56.911 1.00 0.00 C ATOM 189 CG GLU A 13 112.284 61.018 58.413 1.00 0.00 C ATOM 190 CD GLU A 13 112.290 59.695 59.182 1.00 0.00 C ATOM 191 OE1 GLU A 13 112.913 58.760 58.706 1.00 0.00 O ATOM 192 OE2 GLU A 13 111.671 59.640 60.231 1.00 0.00 O ATOM 0 H GLU A 13 109.858 61.023 57.062 1.00 0.00 H new ATOM 0 HA GLU A 13 111.963 62.879 56.563 1.00 0.00 H new ATOM 0 HB2 GLU A 13 111.647 59.831 56.723 1.00 0.00 H new ATOM 0 HB3 GLU A 13 113.229 60.560 56.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 113.179 61.593 58.651 1.00 0.00 H new ATOM 0 HG3 GLU A 13 111.428 61.622 58.714 1.00 0.00 H new ATOM 199 N LEU A 14 111.204 61.055 53.959 1.00 0.00 N ATOM 200 CA LEU A 14 111.465 60.961 52.493 1.00 0.00 C ATOM 201 C LEU A 14 111.159 62.299 51.812 1.00 0.00 C ATOM 202 O LEU A 14 112.015 62.902 51.196 1.00 0.00 O ATOM 203 CB LEU A 14 110.513 59.876 51.990 1.00 0.00 C ATOM 204 CG LEU A 14 111.159 58.503 52.177 1.00 0.00 C ATOM 205 CD1 LEU A 14 110.168 57.412 51.765 1.00 0.00 C ATOM 206 CD2 LEU A 14 112.412 58.407 51.303 1.00 0.00 C ATOM 0 H LEU A 14 110.467 60.443 54.308 1.00 0.00 H new ATOM 0 HA LEU A 14 112.506 60.725 52.275 1.00 0.00 H new ATOM 0 HB2 LEU A 14 109.570 59.923 52.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 110.281 60.040 50.938 1.00 0.00 H new ATOM 0 HG LEU A 14 111.433 58.370 53.224 1.00 0.00 H new ATOM 0 HD11 LEU A 14 110.628 56.433 51.898 1.00 0.00 H new ATOM 0 HD12 LEU A 14 109.274 57.480 52.385 1.00 0.00 H new ATOM 0 HD13 LEU A 14 109.895 57.545 50.718 1.00 0.00 H new ATOM 0 HD21 LEU A 14 112.874 57.429 51.435 1.00 0.00 H new ATOM 0 HD22 LEU A 14 112.137 58.540 50.257 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.119 59.184 51.594 1.00 0.00 H new ATOM 218 N LEU A 15 109.945 62.765 51.916 1.00 0.00 N ATOM 219 CA LEU A 15 109.587 64.061 51.271 1.00 0.00 C ATOM 220 C LEU A 15 110.464 65.190 51.821 1.00 0.00 C ATOM 221 O LEU A 15 111.032 65.964 51.075 1.00 0.00 O ATOM 222 CB LEU A 15 108.119 64.291 51.633 1.00 0.00 C ATOM 223 CG LEU A 15 107.228 63.769 50.504 1.00 0.00 C ATOM 224 CD1 LEU A 15 107.421 62.258 50.356 1.00 0.00 C ATOM 225 CD2 LEU A 15 105.762 64.064 50.834 1.00 0.00 C ATOM 0 H LEU A 15 109.186 62.306 52.419 1.00 0.00 H new ATOM 0 HA LEU A 15 109.741 64.042 50.192 1.00 0.00 H new ATOM 0 HB2 LEU A 15 107.879 63.781 52.566 1.00 0.00 H new ATOM 0 HB3 LEU A 15 107.935 65.353 51.794 1.00 0.00 H new ATOM 0 HG LEU A 15 107.499 64.263 49.571 1.00 0.00 H new ATOM 0 HD11 LEU A 15 106.786 61.887 49.552 1.00 0.00 H new ATOM 0 HD12 LEU A 15 108.464 62.046 50.122 1.00 0.00 H new ATOM 0 HD13 LEU A 15 107.151 61.764 51.289 1.00 0.00 H new ATOM 0 HD21 LEU A 15 105.126 63.693 50.030 1.00 0.00 H new ATOM 0 HD22 LEU A 15 105.493 63.570 51.768 1.00 0.00 H new ATOM 0 HD23 LEU A 15 105.622 65.140 50.939 1.00 0.00 H new ATOM 237 N GLN A 16 110.583 65.290 53.117 1.00 0.00 N ATOM 238 CA GLN A 16 111.430 66.369 53.705 1.00 0.00 C ATOM 239 C GLN A 16 112.831 66.325 53.091 1.00 0.00 C ATOM 240 O GLN A 16 113.432 67.347 52.819 1.00 0.00 O ATOM 241 CB GLN A 16 111.486 66.061 55.201 1.00 0.00 C ATOM 242 CG GLN A 16 111.210 67.338 55.996 1.00 0.00 C ATOM 243 CD GLN A 16 111.377 67.057 57.490 1.00 0.00 C ATOM 244 OE1 GLN A 16 112.471 67.115 58.013 1.00 0.00 O ATOM 245 NE2 GLN A 16 110.328 66.751 58.205 1.00 0.00 N ATOM 0 H GLN A 16 110.132 64.674 53.793 1.00 0.00 H new ATOM 0 HA GLN A 16 111.028 67.364 53.513 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.751 65.297 55.453 1.00 0.00 H new ATOM 0 HB3 GLN A 16 112.465 65.661 55.464 1.00 0.00 H new ATOM 0 HG2 GLN A 16 111.895 68.127 55.685 1.00 0.00 H new ATOM 0 HG3 GLN A 16 110.200 67.694 55.793 1.00 0.00 H new ATOM 0 HE21 GLN A 16 109.408 66.702 57.766 1.00 0.00 H new ATOM 0 HE22 GLN A 16 110.428 66.561 59.202 1.00 0.00 H new ATOM 254 N GLY A 17 113.354 65.151 52.859 1.00 0.00 N ATOM 255 CA GLY A 17 114.710 65.050 52.251 1.00 0.00 C ATOM 256 C GLY A 17 114.710 65.804 50.922 1.00 0.00 C ATOM 257 O GLY A 17 115.531 66.668 50.685 1.00 0.00 O ATOM 0 H GLY A 17 112.901 64.260 53.064 1.00 0.00 H new ATOM 0 HA2 GLY A 17 115.458 65.470 52.924 1.00 0.00 H new ATOM 0 HA3 GLY A 17 114.976 64.005 52.092 1.00 0.00 H new ATOM 261 N TYR A 18 113.779 65.493 50.057 1.00 0.00 N ATOM 262 CA TYR A 18 113.699 66.196 48.743 1.00 0.00 C ATOM 263 C TYR A 18 113.781 67.711 48.951 1.00 0.00 C ATOM 264 O TYR A 18 114.525 68.405 48.288 1.00 0.00 O ATOM 265 CB TYR A 18 112.327 65.810 48.189 1.00 0.00 C ATOM 266 CG TYR A 18 112.404 65.664 46.691 1.00 0.00 C ATOM 267 CD1 TYR A 18 113.435 64.894 46.110 1.00 0.00 C ATOM 268 CD2 TYR A 18 111.443 66.295 45.870 1.00 0.00 C ATOM 269 CE1 TYR A 18 113.507 64.755 44.706 1.00 0.00 C ATOM 270 CE2 TYR A 18 111.514 66.157 44.466 1.00 0.00 C ATOM 271 CZ TYR A 18 112.546 65.387 43.884 1.00 0.00 C ATOM 272 OH TYR A 18 112.616 65.252 42.511 1.00 0.00 O ATOM 0 H TYR A 18 113.067 64.778 50.206 1.00 0.00 H new ATOM 0 HA TYR A 18 114.512 65.923 48.070 1.00 0.00 H new ATOM 0 HB2 TYR A 18 111.993 64.875 48.638 1.00 0.00 H new ATOM 0 HB3 TYR A 18 111.591 66.570 48.452 1.00 0.00 H new ATOM 0 HD1 TYR A 18 114.168 64.411 46.739 1.00 0.00 H new ATOM 0 HD2 TYR A 18 110.654 66.883 46.316 1.00 0.00 H new ATOM 0 HE1 TYR A 18 114.296 64.166 44.261 1.00 0.00 H new ATOM 0 HE2 TYR A 18 110.780 66.640 43.838 1.00 0.00 H new ATOM 0 HH TYR A 18 113.555 65.219 42.233 1.00 0.00 H new ATOM 282 N THR A 19 113.017 68.224 49.874 1.00 0.00 N ATOM 283 CA THR A 19 113.035 69.689 50.144 1.00 0.00 C ATOM 284 C THR A 19 114.474 70.180 50.343 1.00 0.00 C ATOM 285 O THR A 19 114.850 71.237 49.874 1.00 0.00 O ATOM 286 CB THR A 19 112.228 69.845 51.434 1.00 0.00 C ATOM 287 OG1 THR A 19 111.050 69.055 51.348 1.00 0.00 O ATOM 288 CG2 THR A 19 111.846 71.310 51.634 1.00 0.00 C ATOM 0 H THR A 19 112.376 67.687 50.458 1.00 0.00 H new ATOM 0 HA THR A 19 112.621 70.272 49.321 1.00 0.00 H new ATOM 0 HB THR A 19 112.831 69.515 52.280 1.00 0.00 H new ATOM 0 HG1 THR A 19 110.531 69.151 52.174 1.00 0.00 H new ATOM 0 HG21 THR A 19 111.271 71.414 52.554 1.00 0.00 H new ATOM 0 HG22 THR A 19 112.750 71.916 51.700 1.00 0.00 H new ATOM 0 HG23 THR A 19 111.244 71.647 50.790 1.00 0.00 H new ATOM 296 N VAL A 20 115.279 69.424 51.038 1.00 0.00 N ATOM 297 CA VAL A 20 116.691 69.852 51.272 1.00 0.00 C ATOM 298 C VAL A 20 117.544 69.622 50.021 1.00 0.00 C ATOM 299 O VAL A 20 118.547 70.276 49.816 1.00 0.00 O ATOM 300 CB VAL A 20 117.184 68.973 52.421 1.00 0.00 C ATOM 301 CG1 VAL A 20 118.632 69.331 52.753 1.00 0.00 C ATOM 302 CG2 VAL A 20 116.308 69.206 53.654 1.00 0.00 C ATOM 0 H VAL A 20 115.022 68.529 51.454 1.00 0.00 H new ATOM 0 HA VAL A 20 116.760 70.915 51.505 1.00 0.00 H new ATOM 0 HB VAL A 20 117.127 67.925 52.126 1.00 0.00 H new ATOM 0 HG11 VAL A 20 118.983 68.704 53.572 1.00 0.00 H new ATOM 0 HG12 VAL A 20 119.258 69.166 51.876 1.00 0.00 H new ATOM 0 HG13 VAL A 20 118.689 70.379 53.048 1.00 0.00 H new ATOM 0 HG21 VAL A 20 116.659 68.579 54.474 1.00 0.00 H new ATOM 0 HG22 VAL A 20 116.365 70.254 53.948 1.00 0.00 H new ATOM 0 HG23 VAL A 20 115.275 68.951 53.420 1.00 0.00 H new ATOM 312 N GLU A 21 117.160 68.698 49.184 1.00 0.00 N ATOM 313 CA GLU A 21 117.964 68.434 47.948 1.00 0.00 C ATOM 314 C GLU A 21 117.514 69.383 46.844 1.00 0.00 C ATOM 315 O GLU A 21 118.285 70.159 46.315 1.00 0.00 O ATOM 316 CB GLU A 21 117.680 66.980 47.517 1.00 0.00 C ATOM 317 CG GLU A 21 117.383 66.085 48.724 1.00 0.00 C ATOM 318 CD GLU A 21 118.077 64.734 48.545 1.00 0.00 C ATOM 319 OE1 GLU A 21 119.235 64.632 48.915 1.00 0.00 O ATOM 320 OE2 GLU A 21 117.438 63.824 48.044 1.00 0.00 O ATOM 0 H GLU A 21 116.330 68.116 49.297 1.00 0.00 H new ATOM 0 HA GLU A 21 119.027 68.584 48.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 116.833 66.961 46.832 1.00 0.00 H new ATOM 0 HB3 GLU A 21 118.539 66.586 46.973 1.00 0.00 H new ATOM 0 HG2 GLU A 21 117.730 66.565 49.639 1.00 0.00 H new ATOM 0 HG3 GLU A 21 116.307 65.942 48.827 1.00 0.00 H new ATOM 327 N VAL A 22 116.261 69.319 46.494 1.00 0.00 N ATOM 328 CA VAL A 22 115.734 70.207 45.425 1.00 0.00 C ATOM 329 C VAL A 22 116.085 71.667 45.728 1.00 0.00 C ATOM 330 O VAL A 22 116.205 72.483 44.837 1.00 0.00 O ATOM 331 CB VAL A 22 114.222 69.994 45.459 1.00 0.00 C ATOM 332 CG1 VAL A 22 113.574 70.787 44.332 1.00 0.00 C ATOM 333 CG2 VAL A 22 113.910 68.508 45.268 1.00 0.00 C ATOM 0 H VAL A 22 115.576 68.685 46.906 1.00 0.00 H new ATOM 0 HA VAL A 22 116.157 69.982 44.446 1.00 0.00 H new ATOM 0 HB VAL A 22 113.832 70.330 46.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 112.495 70.636 44.355 1.00 0.00 H new ATOM 0 HG12 VAL A 22 113.795 71.847 44.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 113.968 70.447 43.374 1.00 0.00 H new ATOM 0 HG21 VAL A 22 112.831 68.357 45.292 1.00 0.00 H new ATOM 0 HG22 VAL A 22 114.302 68.175 44.307 1.00 0.00 H new ATOM 0 HG23 VAL A 22 114.375 67.933 46.068 1.00 0.00 H new ATOM 343 N LEU A 23 116.256 72.000 46.980 1.00 0.00 N ATOM 344 CA LEU A 23 116.606 73.406 47.333 1.00 0.00 C ATOM 345 C LEU A 23 118.121 73.610 47.241 1.00 0.00 C ATOM 346 O LEU A 23 118.594 74.642 46.808 1.00 0.00 O ATOM 347 CB LEU A 23 116.126 73.589 48.774 1.00 0.00 C ATOM 348 CG LEU A 23 116.104 75.079 49.117 1.00 0.00 C ATOM 349 CD1 LEU A 23 114.740 75.668 48.751 1.00 0.00 C ATOM 350 CD2 LEU A 23 116.349 75.261 50.617 1.00 0.00 C ATOM 0 H LEU A 23 116.169 71.361 47.771 1.00 0.00 H new ATOM 0 HA LEU A 23 116.145 74.127 46.658 1.00 0.00 H new ATOM 0 HB2 LEU A 23 115.130 73.162 48.894 1.00 0.00 H new ATOM 0 HB3 LEU A 23 116.786 73.057 49.459 1.00 0.00 H new ATOM 0 HG LEU A 23 116.885 75.591 48.555 1.00 0.00 H new ATOM 0 HD11 LEU A 23 114.725 76.730 48.996 1.00 0.00 H new ATOM 0 HD12 LEU A 23 114.563 75.539 47.683 1.00 0.00 H new ATOM 0 HD13 LEU A 23 113.960 75.155 49.313 1.00 0.00 H new ATOM 0 HD21 LEU A 23 116.333 76.323 50.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 115.568 74.748 51.178 1.00 0.00 H new ATOM 0 HD23 LEU A 23 117.320 74.842 50.881 1.00 0.00 H new ATOM 362 N ARG A 24 118.887 72.630 47.642 1.00 0.00 N ATOM 363 CA ARG A 24 120.370 72.767 47.573 1.00 0.00 C ATOM 364 C ARG A 24 120.864 72.433 46.162 1.00 0.00 C ATOM 365 O ARG A 24 121.562 73.209 45.539 1.00 0.00 O ATOM 366 CB ARG A 24 120.912 71.757 48.585 1.00 0.00 C ATOM 367 CG ARG A 24 122.268 72.235 49.109 1.00 0.00 C ATOM 368 CD ARG A 24 123.383 71.701 48.207 1.00 0.00 C ATOM 369 NE ARG A 24 124.253 72.878 47.934 1.00 0.00 N ATOM 370 CZ ARG A 24 125.530 72.821 48.195 1.00 0.00 C ATOM 371 NH1 ARG A 24 126.186 71.708 48.009 1.00 0.00 N ATOM 372 NH2 ARG A 24 126.152 73.877 48.644 1.00 0.00 N ATOM 0 H ARG A 24 118.550 71.742 48.014 1.00 0.00 H new ATOM 0 HA ARG A 24 120.702 73.781 47.796 1.00 0.00 H new ATOM 0 HB2 ARG A 24 120.211 71.643 49.412 1.00 0.00 H new ATOM 0 HB3 ARG A 24 121.016 70.778 48.117 1.00 0.00 H new ATOM 0 HG2 ARG A 24 122.296 73.324 49.134 1.00 0.00 H new ATOM 0 HG3 ARG A 24 122.417 71.889 50.132 1.00 0.00 H new ATOM 0 HD2 ARG A 24 123.940 70.903 48.698 1.00 0.00 H new ATOM 0 HD3 ARG A 24 122.979 71.286 47.284 1.00 0.00 H new ATOM 0 HE ARG A 24 123.850 73.730 47.543 1.00 0.00 H new ATOM 0 HH11 ARG A 24 125.700 70.882 47.659 1.00 0.00 H new ATOM 0 HH12 ARG A 24 127.184 71.664 48.213 1.00 0.00 H new ATOM 0 HH21 ARG A 24 125.640 74.747 48.791 1.00 0.00 H new ATOM 0 HH22 ARG A 24 127.150 73.833 48.848 1.00 0.00 H new ATOM 386 N GLN A 25 120.504 71.286 45.654 1.00 0.00 N ATOM 387 CA GLN A 25 120.951 70.907 44.283 1.00 0.00 C ATOM 388 C GLN A 25 120.409 71.906 43.258 1.00 0.00 C ATOM 389 O GLN A 25 121.097 72.307 42.340 1.00 0.00 O ATOM 390 CB GLN A 25 120.356 69.518 44.040 1.00 0.00 C ATOM 391 CG GLN A 25 120.947 68.524 45.041 1.00 0.00 C ATOM 392 CD GLN A 25 122.379 68.172 44.631 1.00 0.00 C ATOM 393 OE1 GLN A 25 123.307 68.377 45.388 1.00 0.00 O ATOM 394 NE2 GLN A 25 122.597 67.648 43.456 1.00 0.00 N ATOM 0 H GLN A 25 119.921 70.596 46.128 1.00 0.00 H new ATOM 0 HA GLN A 25 122.037 70.908 44.188 1.00 0.00 H new ATOM 0 HB2 GLN A 25 119.272 69.553 44.144 1.00 0.00 H new ATOM 0 HB3 GLN A 25 120.568 69.193 43.021 1.00 0.00 H new ATOM 0 HG2 GLN A 25 120.940 68.954 46.043 1.00 0.00 H new ATOM 0 HG3 GLN A 25 120.336 67.622 45.077 1.00 0.00 H new ATOM 0 HE21 GLN A 25 121.817 67.476 42.821 1.00 0.00 H new ATOM 0 HE22 GLN A 25 123.547 67.410 43.172 1.00 0.00 H new ATOM 403 N GLN A 26 119.178 72.310 43.410 1.00 0.00 N ATOM 404 CA GLN A 26 118.581 73.284 42.449 1.00 0.00 C ATOM 405 C GLN A 26 118.810 72.818 41.004 1.00 0.00 C ATOM 406 O GLN A 26 119.373 73.541 40.204 1.00 0.00 O ATOM 407 CB GLN A 26 119.312 74.601 42.714 1.00 0.00 C ATOM 408 CG GLN A 26 118.289 75.712 42.958 1.00 0.00 C ATOM 409 CD GLN A 26 118.993 77.070 42.942 1.00 0.00 C ATOM 410 OE1 GLN A 26 119.156 77.670 41.899 1.00 0.00 O ATOM 411 NE2 GLN A 26 119.417 77.585 44.063 1.00 0.00 N ATOM 0 H GLN A 26 118.557 72.007 44.160 1.00 0.00 H new ATOM 0 HA GLN A 26 117.503 73.383 42.579 1.00 0.00 H new ATOM 0 HB2 GLN A 26 119.967 74.498 43.580 1.00 0.00 H new ATOM 0 HB3 GLN A 26 119.945 74.855 41.864 1.00 0.00 H new ATOM 0 HG2 GLN A 26 117.515 75.683 42.191 1.00 0.00 H new ATOM 0 HG3 GLN A 26 117.793 75.559 43.917 1.00 0.00 H new ATOM 0 HE21 GLN A 26 119.280 77.081 44.939 1.00 0.00 H new ATOM 0 HE22 GLN A 26 119.885 78.491 44.063 1.00 0.00 H new ATOM 420 N PRO A 27 118.365 71.621 40.712 1.00 0.00 N ATOM 421 CA PRO A 27 118.529 71.063 39.347 1.00 0.00 C ATOM 422 C PRO A 27 117.599 71.782 38.359 1.00 0.00 C ATOM 423 O PRO A 27 116.589 72.332 38.752 1.00 0.00 O ATOM 424 CB PRO A 27 118.130 69.599 39.505 1.00 0.00 C ATOM 425 CG PRO A 27 117.226 69.572 40.695 1.00 0.00 C ATOM 426 CD PRO A 27 117.676 70.681 41.609 1.00 0.00 C ATOM 0 HA PRO A 27 119.539 71.182 38.954 1.00 0.00 H new ATOM 0 HB2 PRO A 27 117.621 69.230 38.614 1.00 0.00 H new ATOM 0 HB3 PRO A 27 119.004 68.966 39.658 1.00 0.00 H new ATOM 0 HG2 PRO A 27 116.188 69.716 40.395 1.00 0.00 H new ATOM 0 HG3 PRO A 27 117.281 68.608 41.201 1.00 0.00 H new ATOM 0 HD2 PRO A 27 116.831 71.153 42.110 1.00 0.00 H new ATOM 0 HD3 PRO A 27 118.342 70.311 42.388 1.00 0.00 H new ATOM 434 N PRO A 28 117.970 71.754 37.102 1.00 0.00 N ATOM 435 CA PRO A 28 117.153 72.416 36.056 1.00 0.00 C ATOM 436 C PRO A 28 115.857 71.636 35.813 1.00 0.00 C ATOM 437 O PRO A 28 114.887 72.167 35.311 1.00 0.00 O ATOM 438 CB PRO A 28 118.048 72.379 34.820 1.00 0.00 C ATOM 439 CG PRO A 28 118.973 71.228 35.050 1.00 0.00 C ATOM 440 CD PRO A 28 119.169 71.116 36.540 1.00 0.00 C ATOM 0 HA PRO A 28 116.852 73.428 36.328 1.00 0.00 H new ATOM 0 HB2 PRO A 28 117.462 72.239 33.912 1.00 0.00 H new ATOM 0 HB3 PRO A 28 118.599 73.312 34.703 1.00 0.00 H new ATOM 0 HG2 PRO A 28 118.552 70.307 34.645 1.00 0.00 H new ATOM 0 HG3 PRO A 28 119.926 71.391 34.546 1.00 0.00 H new ATOM 0 HD2 PRO A 28 119.253 70.076 36.855 1.00 0.00 H new ATOM 0 HD3 PRO A 28 120.079 71.621 36.863 1.00 0.00 H new ATOM 448 N ASP A 29 115.835 70.380 36.166 1.00 0.00 N ATOM 449 CA ASP A 29 114.600 69.569 35.954 1.00 0.00 C ATOM 450 C ASP A 29 114.328 68.685 37.175 1.00 0.00 C ATOM 451 O ASP A 29 115.129 67.848 37.539 1.00 0.00 O ATOM 452 CB ASP A 29 114.899 68.710 34.725 1.00 0.00 C ATOM 453 CG ASP A 29 114.813 69.574 33.466 1.00 0.00 C ATOM 454 OD1 ASP A 29 113.963 70.449 33.428 1.00 0.00 O ATOM 455 OD2 ASP A 29 115.597 69.346 32.559 1.00 0.00 O ATOM 0 H ASP A 29 116.616 69.880 36.591 1.00 0.00 H new ATOM 0 HA ASP A 29 113.716 70.191 35.813 1.00 0.00 H new ATOM 0 HB2 ASP A 29 115.892 68.269 34.809 1.00 0.00 H new ATOM 0 HB3 ASP A 29 114.189 67.886 34.663 1.00 0.00 H new ATOM 460 N LEU A 30 113.202 68.867 37.808 1.00 0.00 N ATOM 461 CA LEU A 30 112.875 68.039 39.004 1.00 0.00 C ATOM 462 C LEU A 30 112.330 66.675 38.571 1.00 0.00 C ATOM 463 O LEU A 30 112.502 65.683 39.251 1.00 0.00 O ATOM 464 CB LEU A 30 111.801 68.832 39.750 1.00 0.00 C ATOM 465 CG LEU A 30 111.476 68.138 41.073 1.00 0.00 C ATOM 466 CD1 LEU A 30 112.188 68.861 42.217 1.00 0.00 C ATOM 467 CD2 LEU A 30 109.965 68.174 41.310 1.00 0.00 C ATOM 0 H LEU A 30 112.494 69.554 37.549 1.00 0.00 H new ATOM 0 HA LEU A 30 113.749 67.848 39.626 1.00 0.00 H new ATOM 0 HB2 LEU A 30 112.149 69.848 39.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 110.902 68.910 39.139 1.00 0.00 H new ATOM 0 HG LEU A 30 111.813 67.102 41.032 1.00 0.00 H new ATOM 0 HD11 LEU A 30 111.956 68.366 43.160 1.00 0.00 H new ATOM 0 HD12 LEU A 30 113.265 68.836 42.049 1.00 0.00 H new ATOM 0 HD13 LEU A 30 111.851 69.897 42.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 109.733 67.679 42.253 1.00 0.00 H new ATOM 0 HD22 LEU A 30 109.628 69.210 41.351 1.00 0.00 H new ATOM 0 HD23 LEU A 30 109.457 67.659 40.495 1.00 0.00 H new ATOM 479 N VAL A 31 111.676 66.616 37.442 1.00 0.00 N ATOM 480 CA VAL A 31 111.122 65.314 36.964 1.00 0.00 C ATOM 481 C VAL A 31 112.213 64.243 36.978 1.00 0.00 C ATOM 482 O VAL A 31 112.158 63.291 37.731 1.00 0.00 O ATOM 483 CB VAL A 31 110.661 65.579 35.532 1.00 0.00 C ATOM 484 CG1 VAL A 31 109.978 64.329 34.976 1.00 0.00 C ATOM 485 CG2 VAL A 31 109.672 66.746 35.525 1.00 0.00 C ATOM 0 H VAL A 31 111.501 67.413 36.829 1.00 0.00 H new ATOM 0 HA VAL A 31 110.309 64.956 37.596 1.00 0.00 H new ATOM 0 HB VAL A 31 111.523 65.827 34.912 1.00 0.00 H new ATOM 0 HG11 VAL A 31 109.649 64.518 33.954 1.00 0.00 H new ATOM 0 HG12 VAL A 31 110.682 63.497 34.982 1.00 0.00 H new ATOM 0 HG13 VAL A 31 109.116 64.080 35.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 109.342 66.937 34.504 1.00 0.00 H new ATOM 0 HG22 VAL A 31 108.811 66.497 36.144 1.00 0.00 H new ATOM 0 HG23 VAL A 31 110.158 67.637 35.922 1.00 0.00 H new ATOM 495 N ASP A 32 113.207 64.396 36.150 1.00 0.00 N ATOM 496 CA ASP A 32 114.309 63.398 36.108 1.00 0.00 C ATOM 497 C ASP A 32 114.917 63.232 37.502 1.00 0.00 C ATOM 498 O ASP A 32 115.193 62.135 37.943 1.00 0.00 O ATOM 499 CB ASP A 32 115.327 63.989 35.136 1.00 0.00 C ATOM 500 CG ASP A 32 115.910 62.878 34.263 1.00 0.00 C ATOM 501 OD1 ASP A 32 115.134 62.144 33.673 1.00 0.00 O ATOM 502 OD2 ASP A 32 117.124 62.777 34.198 1.00 0.00 O ATOM 0 H ASP A 32 113.304 65.174 35.497 1.00 0.00 H new ATOM 0 HA ASP A 32 113.973 62.410 35.793 1.00 0.00 H new ATOM 0 HB2 ASP A 32 114.851 64.744 34.511 1.00 0.00 H new ATOM 0 HB3 ASP A 32 116.124 64.488 35.688 1.00 0.00 H new ATOM 507 N PHE A 33 115.123 64.314 38.202 1.00 0.00 N ATOM 508 CA PHE A 33 115.707 64.213 39.569 1.00 0.00 C ATOM 509 C PHE A 33 114.817 63.333 40.450 1.00 0.00 C ATOM 510 O PHE A 33 115.279 62.415 41.098 1.00 0.00 O ATOM 511 CB PHE A 33 115.734 65.647 40.101 1.00 0.00 C ATOM 512 CG PHE A 33 116.377 65.662 41.467 1.00 0.00 C ATOM 513 CD1 PHE A 33 117.709 65.216 41.625 1.00 0.00 C ATOM 514 CD2 PHE A 33 115.648 66.117 42.589 1.00 0.00 C ATOM 515 CE1 PHE A 33 118.312 65.227 42.902 1.00 0.00 C ATOM 516 CE2 PHE A 33 116.252 66.126 43.867 1.00 0.00 C ATOM 517 CZ PHE A 33 117.582 65.682 44.023 1.00 0.00 C ATOM 0 H PHE A 33 114.913 65.261 37.887 1.00 0.00 H new ATOM 0 HA PHE A 33 116.701 63.766 39.563 1.00 0.00 H new ATOM 0 HB2 PHE A 33 116.290 66.290 39.418 1.00 0.00 H new ATOM 0 HB3 PHE A 33 114.721 66.044 40.159 1.00 0.00 H new ATOM 0 HD1 PHE A 33 118.266 64.866 40.768 1.00 0.00 H new ATOM 0 HD2 PHE A 33 114.630 66.458 42.470 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.330 64.888 43.022 1.00 0.00 H new ATOM 0 HE2 PHE A 33 115.695 66.473 44.725 1.00 0.00 H new ATOM 0 HZ PHE A 33 118.042 65.690 45.000 1.00 0.00 H new ATOM 527 N ALA A 34 113.542 63.608 40.476 1.00 0.00 N ATOM 528 CA ALA A 34 112.615 62.792 41.310 1.00 0.00 C ATOM 529 C ALA A 34 112.774 61.303 40.983 1.00 0.00 C ATOM 530 O ALA A 34 112.755 60.461 41.859 1.00 0.00 O ATOM 531 CB ALA A 34 111.213 63.276 40.935 1.00 0.00 C ATOM 0 H ALA A 34 113.101 64.365 39.954 1.00 0.00 H new ATOM 0 HA ALA A 34 112.815 62.905 42.376 1.00 0.00 H new ATOM 0 HB1 ALA A 34 110.471 62.721 41.509 1.00 0.00 H new ATOM 0 HB2 ALA A 34 111.123 64.339 41.158 1.00 0.00 H new ATOM 0 HB3 ALA A 34 111.044 63.113 39.871 1.00 0.00 H new ATOM 537 N VAL A 35 112.924 60.971 39.730 1.00 0.00 N ATOM 538 CA VAL A 35 113.077 59.542 39.350 1.00 0.00 C ATOM 539 C VAL A 35 114.473 59.039 39.729 1.00 0.00 C ATOM 540 O VAL A 35 114.626 57.975 40.294 1.00 0.00 O ATOM 541 CB VAL A 35 112.888 59.529 37.835 1.00 0.00 C ATOM 542 CG1 VAL A 35 113.135 58.121 37.303 1.00 0.00 C ATOM 543 CG2 VAL A 35 111.459 59.955 37.498 1.00 0.00 C ATOM 0 H VAL A 35 112.947 61.631 38.953 1.00 0.00 H new ATOM 0 HA VAL A 35 112.365 58.893 39.859 1.00 0.00 H new ATOM 0 HB VAL A 35 113.594 60.221 37.375 1.00 0.00 H new ATOM 0 HG11 VAL A 35 113.000 58.112 36.221 1.00 0.00 H new ATOM 0 HG12 VAL A 35 114.153 57.814 37.544 1.00 0.00 H new ATOM 0 HG13 VAL A 35 112.429 57.429 37.763 1.00 0.00 H new ATOM 0 HG21 VAL A 35 111.322 59.946 36.417 1.00 0.00 H new ATOM 0 HG22 VAL A 35 110.755 59.262 37.958 1.00 0.00 H new ATOM 0 HG23 VAL A 35 111.280 60.961 37.878 1.00 0.00 H new ATOM 553 N GLU A 36 115.492 59.794 39.422 1.00 0.00 N ATOM 554 CA GLU A 36 116.875 59.354 39.765 1.00 0.00 C ATOM 555 C GLU A 36 117.045 59.273 41.286 1.00 0.00 C ATOM 556 O GLU A 36 117.886 58.553 41.789 1.00 0.00 O ATOM 557 CB GLU A 36 117.789 60.431 39.178 1.00 0.00 C ATOM 558 CG GLU A 36 117.578 60.510 37.665 1.00 0.00 C ATOM 559 CD GLU A 36 118.635 59.661 36.955 1.00 0.00 C ATOM 560 OE1 GLU A 36 119.799 60.017 37.027 1.00 0.00 O ATOM 561 OE2 GLU A 36 118.262 58.668 36.351 1.00 0.00 O ATOM 0 H GLU A 36 115.427 60.695 38.949 1.00 0.00 H new ATOM 0 HA GLU A 36 117.104 58.365 39.369 1.00 0.00 H new ATOM 0 HB2 GLU A 36 117.573 61.396 39.637 1.00 0.00 H new ATOM 0 HB3 GLU A 36 118.831 60.199 39.399 1.00 0.00 H new ATOM 0 HG2 GLU A 36 116.580 60.156 37.408 1.00 0.00 H new ATOM 0 HG3 GLU A 36 117.645 61.546 37.332 1.00 0.00 H new ATOM 568 N TYR A 37 116.253 60.006 42.022 1.00 0.00 N ATOM 569 CA TYR A 37 116.373 59.969 43.509 1.00 0.00 C ATOM 570 C TYR A 37 115.813 58.653 44.057 1.00 0.00 C ATOM 571 O TYR A 37 116.540 57.821 44.563 1.00 0.00 O ATOM 572 CB TYR A 37 115.540 61.153 44.003 1.00 0.00 C ATOM 573 CG TYR A 37 115.561 61.195 45.513 1.00 0.00 C ATOM 574 CD1 TYR A 37 116.771 60.988 46.212 1.00 0.00 C ATOM 575 CD2 TYR A 37 114.367 61.445 46.229 1.00 0.00 C ATOM 576 CE1 TYR A 37 116.789 61.029 47.624 1.00 0.00 C ATOM 577 CE2 TYR A 37 114.385 61.485 47.642 1.00 0.00 C ATOM 578 CZ TYR A 37 115.595 61.277 48.338 1.00 0.00 C ATOM 579 OH TYR A 37 115.613 61.318 49.718 1.00 0.00 O ATOM 0 H TYR A 37 115.530 60.627 41.659 1.00 0.00 H new ATOM 0 HA TYR A 37 117.410 60.032 43.839 1.00 0.00 H new ATOM 0 HB2 TYR A 37 115.937 62.084 43.598 1.00 0.00 H new ATOM 0 HB3 TYR A 37 114.514 61.062 43.646 1.00 0.00 H new ATOM 0 HD1 TYR A 37 117.683 60.798 45.666 1.00 0.00 H new ATOM 0 HD2 TYR A 37 113.441 61.605 45.696 1.00 0.00 H new ATOM 0 HE1 TYR A 37 117.715 60.871 48.157 1.00 0.00 H new ATOM 0 HE2 TYR A 37 113.473 61.675 48.189 1.00 0.00 H new ATOM 0 HH TYR A 37 114.710 61.500 50.052 1.00 0.00 H new ATOM 589 N PHE A 38 114.527 58.458 43.962 1.00 0.00 N ATOM 590 CA PHE A 38 113.922 57.197 44.479 1.00 0.00 C ATOM 591 C PHE A 38 114.530 55.983 43.769 1.00 0.00 C ATOM 592 O PHE A 38 114.972 55.042 44.398 1.00 0.00 O ATOM 593 CB PHE A 38 112.430 57.314 44.164 1.00 0.00 C ATOM 594 CG PHE A 38 111.764 58.174 45.210 1.00 0.00 C ATOM 595 CD1 PHE A 38 111.729 57.749 46.557 1.00 0.00 C ATOM 596 CD2 PHE A 38 111.174 59.405 44.843 1.00 0.00 C ATOM 597 CE1 PHE A 38 111.106 58.554 47.536 1.00 0.00 C ATOM 598 CE2 PHE A 38 110.551 60.210 45.822 1.00 0.00 C ATOM 599 CZ PHE A 38 110.516 59.784 47.169 1.00 0.00 C ATOM 0 H PHE A 38 113.868 59.117 43.548 1.00 0.00 H new ATOM 0 HA PHE A 38 114.104 57.061 45.545 1.00 0.00 H new ATOM 0 HB2 PHE A 38 112.289 57.750 43.175 1.00 0.00 H new ATOM 0 HB3 PHE A 38 111.972 56.325 44.145 1.00 0.00 H new ATOM 0 HD1 PHE A 38 112.179 56.808 46.838 1.00 0.00 H new ATOM 0 HD2 PHE A 38 111.200 59.730 43.813 1.00 0.00 H new ATOM 0 HE1 PHE A 38 111.081 58.229 48.566 1.00 0.00 H new ATOM 0 HE2 PHE A 38 110.101 61.151 45.541 1.00 0.00 H new ATOM 0 HZ PHE A 38 110.038 60.399 47.918 1.00 0.00 H new ATOM 609 N THR A 39 114.558 55.995 42.461 1.00 0.00 N ATOM 610 CA THR A 39 115.142 54.840 41.716 1.00 0.00 C ATOM 611 C THR A 39 116.523 54.491 42.278 1.00 0.00 C ATOM 612 O THR A 39 116.916 53.342 42.313 1.00 0.00 O ATOM 613 CB THR A 39 115.253 55.316 40.266 1.00 0.00 C ATOM 614 OG1 THR A 39 113.960 55.635 39.774 1.00 0.00 O ATOM 615 CG2 THR A 39 115.869 54.209 39.408 1.00 0.00 C ATOM 0 H THR A 39 114.203 56.753 41.878 1.00 0.00 H new ATOM 0 HA THR A 39 114.530 53.942 41.802 1.00 0.00 H new ATOM 0 HB THR A 39 115.888 56.201 40.222 1.00 0.00 H new ATOM 0 HG1 THR A 39 113.900 56.600 39.612 1.00 0.00 H new ATOM 0 HG21 THR A 39 115.947 54.550 38.376 1.00 0.00 H new ATOM 0 HG22 THR A 39 116.862 53.966 39.786 1.00 0.00 H new ATOM 0 HG23 THR A 39 115.237 53.322 39.450 1.00 0.00 H new ATOM 623 N ARG A 40 117.259 55.472 42.724 1.00 0.00 N ATOM 624 CA ARG A 40 118.607 55.190 43.290 1.00 0.00 C ATOM 625 C ARG A 40 118.464 54.584 44.690 1.00 0.00 C ATOM 626 O ARG A 40 119.327 53.867 45.157 1.00 0.00 O ATOM 627 CB ARG A 40 119.307 56.548 43.357 1.00 0.00 C ATOM 628 CG ARG A 40 120.740 56.358 43.855 1.00 0.00 C ATOM 629 CD ARG A 40 121.671 57.321 43.116 1.00 0.00 C ATOM 630 NE ARG A 40 122.974 57.217 43.830 1.00 0.00 N ATOM 631 CZ ARG A 40 123.882 58.142 43.671 1.00 0.00 C ATOM 632 NH1 ARG A 40 123.623 59.375 44.011 1.00 0.00 N ATOM 633 NH2 ARG A 40 125.048 57.832 43.175 1.00 0.00 N ATOM 0 H ARG A 40 116.985 56.455 42.721 1.00 0.00 H new ATOM 0 HA ARG A 40 119.171 54.478 42.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 119.312 57.016 42.372 1.00 0.00 H new ATOM 0 HB3 ARG A 40 118.764 57.217 44.025 1.00 0.00 H new ATOM 0 HG2 ARG A 40 120.790 56.540 44.929 1.00 0.00 H new ATOM 0 HG3 ARG A 40 121.060 55.329 43.691 1.00 0.00 H new ATOM 0 HD2 ARG A 40 121.772 57.045 42.066 1.00 0.00 H new ATOM 0 HD3 ARG A 40 121.286 58.341 43.142 1.00 0.00 H new ATOM 0 HE ARG A 40 123.157 56.423 44.443 1.00 0.00 H new ATOM 0 HH11 ARG A 40 122.712 59.616 44.401 1.00 0.00 H new ATOM 0 HH12 ARG A 40 124.332 60.098 43.887 1.00 0.00 H new ATOM 0 HH21 ARG A 40 125.250 56.868 42.912 1.00 0.00 H new ATOM 0 HH22 ARG A 40 125.758 58.554 43.051 1.00 0.00 H new ATOM 647 N LEU A 41 117.377 54.862 45.357 1.00 0.00 N ATOM 648 CA LEU A 41 117.175 54.296 46.722 1.00 0.00 C ATOM 649 C LEU A 41 117.110 52.770 46.644 1.00 0.00 C ATOM 650 O LEU A 41 117.620 52.071 47.498 1.00 0.00 O ATOM 651 CB LEU A 41 115.837 54.867 47.197 1.00 0.00 C ATOM 652 CG LEU A 41 116.030 55.575 48.539 1.00 0.00 C ATOM 653 CD1 LEU A 41 116.151 57.082 48.308 1.00 0.00 C ATOM 654 CD2 LEU A 41 114.826 55.294 49.441 1.00 0.00 C ATOM 0 H LEU A 41 116.621 55.456 45.017 1.00 0.00 H new ATOM 0 HA LEU A 41 117.987 54.551 47.403 1.00 0.00 H new ATOM 0 HB2 LEU A 41 115.446 55.566 46.458 1.00 0.00 H new ATOM 0 HB3 LEU A 41 115.104 54.067 47.298 1.00 0.00 H new ATOM 0 HG LEU A 41 116.938 55.206 49.017 1.00 0.00 H new ATOM 0 HD11 LEU A 41 116.289 57.587 49.264 1.00 0.00 H new ATOM 0 HD12 LEU A 41 117.007 57.284 47.665 1.00 0.00 H new ATOM 0 HD13 LEU A 41 115.243 57.451 47.830 1.00 0.00 H new ATOM 0 HD21 LEU A 41 114.963 55.798 50.398 1.00 0.00 H new ATOM 0 HD22 LEU A 41 113.919 55.663 48.963 1.00 0.00 H new ATOM 0 HD23 LEU A 41 114.738 54.220 49.606 1.00 0.00 H new ATOM 666 N ARG A 42 116.490 52.248 45.621 1.00 0.00 N ATOM 667 CA ARG A 42 116.393 50.766 45.476 1.00 0.00 C ATOM 668 C ARG A 42 117.777 50.128 45.629 1.00 0.00 C ATOM 669 O ARG A 42 117.930 49.089 46.239 1.00 0.00 O ATOM 670 CB ARG A 42 115.857 50.543 44.061 1.00 0.00 C ATOM 671 CG ARG A 42 114.453 49.939 44.130 1.00 0.00 C ATOM 672 CD ARG A 42 113.447 50.914 43.512 1.00 0.00 C ATOM 673 NE ARG A 42 113.837 51.011 42.078 1.00 0.00 N ATOM 674 CZ ARG A 42 113.517 50.056 41.249 1.00 0.00 C ATOM 675 NH1 ARG A 42 112.304 49.579 41.240 1.00 0.00 N ATOM 676 NH2 ARG A 42 114.410 49.577 40.427 1.00 0.00 N ATOM 0 H ARG A 42 116.045 52.785 44.877 1.00 0.00 H new ATOM 0 HA ARG A 42 115.750 50.318 46.233 1.00 0.00 H new ATOM 0 HB2 ARG A 42 115.830 51.488 43.519 1.00 0.00 H new ATOM 0 HB3 ARG A 42 116.523 49.878 43.510 1.00 0.00 H new ATOM 0 HG2 ARG A 42 114.428 48.988 43.598 1.00 0.00 H new ATOM 0 HG3 ARG A 42 114.185 49.732 45.166 1.00 0.00 H new ATOM 0 HD2 ARG A 42 112.426 50.549 43.620 1.00 0.00 H new ATOM 0 HD3 ARG A 42 113.490 51.888 44.000 1.00 0.00 H new ATOM 0 HE ARG A 42 114.354 51.824 41.744 1.00 0.00 H new ATOM 0 HH11 ARG A 42 111.604 49.952 41.881 1.00 0.00 H new ATOM 0 HH12 ARG A 42 112.054 48.832 40.592 1.00 0.00 H new ATOM 0 HH21 ARG A 42 115.360 49.949 40.432 1.00 0.00 H new ATOM 0 HH22 ARG A 42 114.158 48.830 39.779 1.00 0.00 H new ATOM 690 N GLU A 43 118.786 50.747 45.079 1.00 0.00 N ATOM 691 CA GLU A 43 120.160 50.182 45.191 1.00 0.00 C ATOM 692 C GLU A 43 120.726 50.446 46.590 1.00 0.00 C ATOM 693 O GLU A 43 121.582 49.729 47.070 1.00 0.00 O ATOM 694 CB GLU A 43 120.976 50.919 44.130 1.00 0.00 C ATOM 695 CG GLU A 43 120.644 50.353 42.747 1.00 0.00 C ATOM 696 CD GLU A 43 121.880 50.437 41.850 1.00 0.00 C ATOM 697 OE1 GLU A 43 122.683 49.520 41.894 1.00 0.00 O ATOM 698 OE2 GLU A 43 122.000 51.417 41.133 1.00 0.00 O ATOM 0 H GLU A 43 118.718 51.620 44.557 1.00 0.00 H new ATOM 0 HA GLU A 43 120.180 49.103 45.041 1.00 0.00 H new ATOM 0 HB2 GLU A 43 120.754 51.986 44.161 1.00 0.00 H new ATOM 0 HB3 GLU A 43 122.041 50.809 44.334 1.00 0.00 H new ATOM 0 HG2 GLU A 43 120.316 49.317 42.836 1.00 0.00 H new ATOM 0 HG3 GLU A 43 119.820 50.911 42.302 1.00 0.00 H new ATOM 705 N ALA A 44 120.251 51.468 47.249 1.00 0.00 N ATOM 706 CA ALA A 44 120.759 51.774 48.618 1.00 0.00 C ATOM 707 C ALA A 44 120.222 50.755 49.619 1.00 0.00 C ATOM 708 O ALA A 44 120.958 49.966 50.178 1.00 0.00 O ATOM 709 CB ALA A 44 120.208 53.158 48.953 1.00 0.00 C ATOM 0 H ALA A 44 119.534 52.104 46.900 1.00 0.00 H new ATOM 0 HA ALA A 44 121.848 51.739 48.662 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.541 53.451 49.949 1.00 0.00 H new ATOM 0 HB2 ALA A 44 120.570 53.881 48.222 1.00 0.00 H new ATOM 0 HB3 ALA A 44 119.119 53.132 48.928 1.00 0.00 H new ATOM 715 N ARG A 45 118.939 50.777 49.855 1.00 0.00 N ATOM 716 CA ARG A 45 118.343 49.824 50.828 1.00 0.00 C ATOM 717 C ARG A 45 118.783 48.390 50.514 1.00 0.00 C ATOM 718 O ARG A 45 119.706 47.870 51.108 1.00 0.00 O ATOM 719 CB ARG A 45 116.831 49.975 50.656 1.00 0.00 C ATOM 720 CG ARG A 45 116.314 51.054 51.610 1.00 0.00 C ATOM 721 CD ARG A 45 116.282 50.501 53.036 1.00 0.00 C ATOM 722 NE ARG A 45 117.507 51.046 53.685 1.00 0.00 N ATOM 723 CZ ARG A 45 117.734 50.815 54.949 1.00 0.00 C ATOM 724 NH1 ARG A 45 116.754 50.874 55.809 1.00 0.00 N ATOM 725 NH2 ARG A 45 118.941 50.523 55.352 1.00 0.00 N ATOM 0 H ARG A 45 118.278 51.416 49.414 1.00 0.00 H new ATOM 0 HA ARG A 45 118.659 50.030 51.850 1.00 0.00 H new ATOM 0 HB2 ARG A 45 116.596 50.243 49.626 1.00 0.00 H new ATOM 0 HB3 ARG A 45 116.335 49.026 50.860 1.00 0.00 H new ATOM 0 HG2 ARG A 45 116.956 51.933 51.564 1.00 0.00 H new ATOM 0 HG3 ARG A 45 115.316 51.372 51.309 1.00 0.00 H new ATOM 0 HD2 ARG A 45 115.382 50.818 53.563 1.00 0.00 H new ATOM 0 HD3 ARG A 45 116.286 49.411 53.037 1.00 0.00 H new ATOM 0 HE ARG A 45 118.169 51.600 53.141 1.00 0.00 H new ATOM 0 HH11 ARG A 45 115.811 51.101 55.493 1.00 0.00 H new ATOM 0 HH12 ARG A 45 116.931 50.693 56.797 1.00 0.00 H new ATOM 0 HH21 ARG A 45 119.706 50.476 54.679 1.00 0.00 H new ATOM 0 HH22 ARG A 45 119.119 50.342 56.340 1.00 0.00 H new ATOM 739 N ARG A 46 118.133 47.751 49.581 1.00 0.00 N ATOM 740 CA ARG A 46 118.520 46.354 49.228 1.00 0.00 C ATOM 741 C ARG A 46 119.634 46.364 48.178 1.00 0.00 C ATOM 742 O ARG A 46 120.783 46.216 48.561 1.00 0.00 O ATOM 743 CB ARG A 46 117.250 45.722 48.657 1.00 0.00 C ATOM 744 CG ARG A 46 116.715 44.674 49.635 1.00 0.00 C ATOM 745 CD ARG A 46 115.345 44.186 49.163 1.00 0.00 C ATOM 746 NE ARG A 46 115.633 42.995 48.315 1.00 0.00 N ATOM 747 CZ ARG A 46 114.675 42.161 48.014 1.00 0.00 C ATOM 748 NH1 ARG A 46 113.458 42.600 47.850 1.00 0.00 N ATOM 749 NH2 ARG A 46 114.936 40.890 47.879 1.00 0.00 N ATOM 750 OXT ARG A 46 119.319 46.521 47.010 1.00 0.00 O ATOM 0 H ARG A 46 117.352 48.134 49.048 1.00 0.00 H new ATOM 0 HA ARG A 46 118.898 45.801 50.088 1.00 0.00 H new ATOM 0 HB2 ARG A 46 116.496 46.490 48.482 1.00 0.00 H new ATOM 0 HB3 ARG A 46 117.463 45.260 47.693 1.00 0.00 H new ATOM 0 HG2 ARG A 46 117.408 43.836 49.701 1.00 0.00 H new ATOM 0 HG3 ARG A 46 116.636 45.101 50.635 1.00 0.00 H new ATOM 0 HD2 ARG A 46 114.706 43.925 50.007 1.00 0.00 H new ATOM 0 HD3 ARG A 46 114.824 44.958 48.596 1.00 0.00 H new ATOM 0 HE ARG A 46 116.579 42.831 47.970 1.00 0.00 H new ATOM 0 HH11 ARG A 46 113.256 43.594 47.957 1.00 0.00 H new ATOM 0 HH12 ARG A 46 112.709 41.949 47.615 1.00 0.00 H new ATOM 0 HH21 ARG A 46 115.888 40.548 48.009 1.00 0.00 H new ATOM 0 HH22 ARG A 46 114.188 40.238 47.644 1.00 0.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 115.019 97.273 44.514 1.00 0.00 N ATOM 766 CA HIS B 1 116.374 97.219 45.136 1.00 0.00 C ATOM 767 C HIS B 1 116.566 95.889 45.870 1.00 0.00 C ATOM 768 O HIS B 1 117.394 95.080 45.502 1.00 0.00 O ATOM 769 CB HIS B 1 116.404 98.385 46.123 1.00 0.00 C ATOM 770 CG HIS B 1 117.069 99.571 45.480 1.00 0.00 C ATOM 771 ND1 HIS B 1 116.522 100.219 44.382 1.00 0.00 N ATOM 772 CD2 HIS B 1 118.233 100.239 45.767 1.00 0.00 C ATOM 773 CE1 HIS B 1 117.350 101.226 44.051 1.00 0.00 C ATOM 774 NE2 HIS B 1 118.409 101.284 44.864 1.00 0.00 N ATOM 0 H1 HIS B 1 114.900 98.180 44.019 1.00 0.00 H new ATOM 0 H2 HIS B 1 114.917 96.492 43.835 1.00 0.00 H new ATOM 0 H3 HIS B 1 114.294 97.185 45.254 1.00 0.00 H new ATOM 0 HA HIS B 1 117.171 97.291 44.396 1.00 0.00 H new ATOM 0 HB2 HIS B 1 115.390 98.644 46.427 1.00 0.00 H new ATOM 0 HB3 HIS B 1 116.943 98.097 47.025 1.00 0.00 H new ATOM 0 HD2 HIS B 1 118.910 99.992 46.571 1.00 0.00 H new ATOM 0 HE1 HIS B 1 117.180 101.905 43.228 1.00 0.00 H new ATOM 0 HE2 HIS B 1 119.180 101.951 44.830 1.00 0.00 H new ATOM 784 N MET B 2 115.808 95.660 46.906 1.00 0.00 N ATOM 785 CA MET B 2 115.949 94.383 47.665 1.00 0.00 C ATOM 786 C MET B 2 114.871 93.387 47.228 1.00 0.00 C ATOM 787 O MET B 2 113.707 93.540 47.541 1.00 0.00 O ATOM 788 CB MET B 2 115.761 94.769 49.132 1.00 0.00 C ATOM 789 CG MET B 2 117.111 94.720 49.849 1.00 0.00 C ATOM 790 SD MET B 2 116.999 95.628 51.412 1.00 0.00 S ATOM 791 CE MET B 2 118.501 94.961 52.168 1.00 0.00 C ATOM 0 H MET B 2 115.097 96.300 47.261 1.00 0.00 H new ATOM 0 HA MET B 2 116.913 93.904 47.492 1.00 0.00 H new ATOM 0 HB2 MET B 2 115.335 95.770 49.204 1.00 0.00 H new ATOM 0 HB3 MET B 2 115.058 94.088 49.611 1.00 0.00 H new ATOM 0 HG2 MET B 2 117.397 93.685 50.037 1.00 0.00 H new ATOM 0 HG3 MET B 2 117.886 95.155 49.218 1.00 0.00 H new ATOM 0 HE1 MET B 2 118.632 95.394 53.160 1.00 0.00 H new ATOM 0 HE2 MET B 2 118.415 93.878 52.253 1.00 0.00 H new ATOM 0 HE3 MET B 2 119.362 95.209 51.547 1.00 0.00 H new ATOM 801 N GLY B 3 115.249 92.367 46.508 1.00 0.00 N ATOM 802 CA GLY B 3 114.247 91.362 46.053 1.00 0.00 C ATOM 803 C GLY B 3 113.942 90.391 47.194 1.00 0.00 C ATOM 804 O GLY B 3 114.252 90.649 48.340 1.00 0.00 O ATOM 0 H GLY B 3 116.209 92.186 46.215 1.00 0.00 H new ATOM 0 HA2 GLY B 3 113.333 91.863 45.734 1.00 0.00 H new ATOM 0 HA3 GLY B 3 114.629 90.817 45.190 1.00 0.00 H new ATOM 808 N HIS B 4 113.337 89.275 46.890 1.00 0.00 N ATOM 809 CA HIS B 4 113.012 88.287 47.960 1.00 0.00 C ATOM 810 C HIS B 4 113.086 86.862 47.403 1.00 0.00 C ATOM 811 O HIS B 4 112.671 86.597 46.292 1.00 0.00 O ATOM 812 CB HIS B 4 111.584 88.622 48.389 1.00 0.00 C ATOM 813 CG HIS B 4 111.612 89.733 49.402 1.00 0.00 C ATOM 814 ND1 HIS B 4 112.449 89.989 50.460 1.00 0.00 N flip ATOM 815 CD2 HIS B 4 110.685 90.763 49.396 1.00 0.00 C flip ATOM 816 CE1 HIS B 4 112.051 91.157 51.101 1.00 0.00 C flip ATOM 817 NE2 HIS B 4 110.984 91.584 50.420 1.00 0.00 N flip ATOM 0 H HIS B 4 113.054 89.004 45.948 1.00 0.00 H new ATOM 0 HA HIS B 4 113.710 88.338 48.796 1.00 0.00 H new ATOM 0 HB2 HIS B 4 110.993 88.920 47.523 1.00 0.00 H new ATOM 0 HB3 HIS B 4 111.104 87.740 48.814 1.00 0.00 H new ATOM 0 HD2 HIS B 4 109.871 90.885 48.697 1.00 0.00 H new ATOM 0 HE1 HIS B 4 112.507 91.620 51.964 1.00 0.00 H new ATOM 0 HE2 HIS B 4 110.460 92.429 50.648 1.00 0.00 H new ATOM 825 N ILE B 5 113.610 85.943 48.167 1.00 0.00 N ATOM 826 CA ILE B 5 113.709 84.536 47.680 1.00 0.00 C ATOM 827 C ILE B 5 112.598 83.684 48.300 1.00 0.00 C ATOM 828 O ILE B 5 112.092 83.983 49.362 1.00 0.00 O ATOM 829 CB ILE B 5 115.081 84.051 48.146 1.00 0.00 C ATOM 830 CG1 ILE B 5 116.171 84.920 47.513 1.00 0.00 C ATOM 831 CG2 ILE B 5 115.280 82.595 47.719 1.00 0.00 C ATOM 832 CD1 ILE B 5 116.087 84.813 45.989 1.00 0.00 C ATOM 0 H ILE B 5 113.974 86.104 49.106 1.00 0.00 H new ATOM 0 HA ILE B 5 113.598 84.464 46.598 1.00 0.00 H new ATOM 0 HB ILE B 5 115.142 84.123 49.232 1.00 0.00 H new ATOM 0 HG12 ILE B 5 116.049 85.958 47.823 1.00 0.00 H new ATOM 0 HG13 ILE B 5 117.154 84.598 47.857 1.00 0.00 H new ATOM 0 HG21 ILE B 5 116.259 82.249 48.051 1.00 0.00 H new ATOM 0 HG22 ILE B 5 114.504 81.975 48.168 1.00 0.00 H new ATOM 0 HG23 ILE B 5 115.219 82.523 46.633 1.00 0.00 H new ATOM 0 HD11 ILE B 5 116.863 85.431 45.538 1.00 0.00 H new ATOM 0 HD12 ILE B 5 116.230 83.775 45.689 1.00 0.00 H new ATOM 0 HD13 ILE B 5 115.108 85.156 45.654 1.00 0.00 H new ATOM 844 N GLN B 6 112.213 82.623 47.642 1.00 0.00 N ATOM 845 CA GLN B 6 111.135 81.754 48.196 1.00 0.00 C ATOM 846 C GLN B 6 111.099 80.416 47.455 1.00 0.00 C ATOM 847 O GLN B 6 111.849 80.187 46.526 1.00 0.00 O ATOM 848 CB GLN B 6 109.840 82.533 47.960 1.00 0.00 C ATOM 849 CG GLN B 6 109.126 82.753 49.295 1.00 0.00 C ATOM 850 CD GLN B 6 107.614 82.801 49.064 1.00 0.00 C ATOM 851 OE1 GLN B 6 106.952 83.727 49.491 1.00 0.00 O ATOM 852 NE2 GLN B 6 107.037 81.837 48.401 1.00 0.00 N ATOM 0 H GLN B 6 112.598 82.321 46.747 1.00 0.00 H new ATOM 0 HA GLN B 6 111.289 81.527 49.251 1.00 0.00 H new ATOM 0 HB2 GLN B 6 110.060 83.492 47.491 1.00 0.00 H new ATOM 0 HB3 GLN B 6 109.193 81.985 47.275 1.00 0.00 H new ATOM 0 HG2 GLN B 6 109.373 81.949 49.988 1.00 0.00 H new ATOM 0 HG3 GLN B 6 109.464 83.683 49.752 1.00 0.00 H new ATOM 0 HE21 GLN B 6 107.593 81.060 48.043 1.00 0.00 H new ATOM 0 HE22 GLN B 6 106.030 81.860 48.241 1.00 0.00 H new ATOM 861 N ILE B 7 110.228 79.530 47.856 1.00 0.00 N ATOM 862 CA ILE B 7 110.140 78.207 47.173 1.00 0.00 C ATOM 863 C ILE B 7 109.449 78.367 45.812 1.00 0.00 C ATOM 864 O ILE B 7 108.454 79.056 45.708 1.00 0.00 O ATOM 865 CB ILE B 7 109.295 77.337 48.107 1.00 0.00 C ATOM 866 CG1 ILE B 7 109.926 77.316 49.502 1.00 0.00 C ATOM 867 CG2 ILE B 7 109.226 75.911 47.557 1.00 0.00 C ATOM 868 CD1 ILE B 7 111.342 76.745 49.418 1.00 0.00 C ATOM 0 H ILE B 7 109.574 79.665 48.627 1.00 0.00 H new ATOM 0 HA ILE B 7 111.120 77.768 46.985 1.00 0.00 H new ATOM 0 HB ILE B 7 108.288 77.750 48.171 1.00 0.00 H new ATOM 0 HG12 ILE B 7 109.954 78.325 49.914 1.00 0.00 H new ATOM 0 HG13 ILE B 7 109.319 76.712 50.177 1.00 0.00 H new ATOM 0 HG21 ILE B 7 108.624 75.293 48.223 1.00 0.00 H new ATOM 0 HG22 ILE B 7 108.772 75.925 46.566 1.00 0.00 H new ATOM 0 HG23 ILE B 7 110.232 75.498 47.490 1.00 0.00 H new ATOM 0 HD11 ILE B 7 111.788 76.731 50.412 1.00 0.00 H new ATOM 0 HD12 ILE B 7 111.302 75.729 49.024 1.00 0.00 H new ATOM 0 HD13 ILE B 7 111.946 77.367 48.757 1.00 0.00 H new ATOM 880 N PRO B 8 109.995 77.726 44.806 1.00 0.00 N ATOM 881 CA PRO B 8 109.406 77.815 43.447 1.00 0.00 C ATOM 882 C PRO B 8 108.084 77.036 43.384 1.00 0.00 C ATOM 883 O PRO B 8 107.988 75.949 43.918 1.00 0.00 O ATOM 884 CB PRO B 8 110.460 77.173 42.552 1.00 0.00 C ATOM 885 CG PRO B 8 111.223 76.261 43.453 1.00 0.00 C ATOM 886 CD PRO B 8 111.191 76.873 44.828 1.00 0.00 C ATOM 0 HA PRO B 8 109.171 78.837 43.149 1.00 0.00 H new ATOM 0 HB2 PRO B 8 110.000 76.623 41.731 1.00 0.00 H new ATOM 0 HB3 PRO B 8 111.112 77.925 42.107 1.00 0.00 H new ATOM 0 HG2 PRO B 8 110.777 75.267 43.463 1.00 0.00 H new ATOM 0 HG3 PRO B 8 112.250 76.146 43.106 1.00 0.00 H new ATOM 0 HD2 PRO B 8 111.124 76.110 45.604 1.00 0.00 H new ATOM 0 HD3 PRO B 8 112.092 77.453 45.029 1.00 0.00 H new ATOM 894 N PRO B 9 107.103 77.615 42.733 1.00 0.00 N ATOM 895 CA PRO B 9 105.783 76.949 42.612 1.00 0.00 C ATOM 896 C PRO B 9 105.865 75.768 41.641 1.00 0.00 C ATOM 897 O PRO B 9 106.830 75.611 40.920 1.00 0.00 O ATOM 898 CB PRO B 9 104.876 78.045 42.056 1.00 0.00 C ATOM 899 CG PRO B 9 105.797 78.987 41.349 1.00 0.00 C ATOM 900 CD PRO B 9 107.126 78.920 42.057 1.00 0.00 C ATOM 0 HA PRO B 9 105.423 76.542 43.557 1.00 0.00 H new ATOM 0 HB2 PRO B 9 104.132 77.634 41.374 1.00 0.00 H new ATOM 0 HB3 PRO B 9 104.332 78.550 42.854 1.00 0.00 H new ATOM 0 HG2 PRO B 9 105.904 78.707 40.301 1.00 0.00 H new ATOM 0 HG3 PRO B 9 105.400 80.002 41.369 1.00 0.00 H new ATOM 0 HD2 PRO B 9 107.957 78.991 41.355 1.00 0.00 H new ATOM 0 HD3 PRO B 9 107.240 79.737 42.770 1.00 0.00 H new ATOM 908 N GLY B 10 104.861 74.936 41.618 1.00 0.00 N ATOM 909 CA GLY B 10 104.884 73.765 40.694 1.00 0.00 C ATOM 910 C GLY B 10 105.261 72.506 41.476 1.00 0.00 C ATOM 911 O GLY B 10 104.729 71.438 41.246 1.00 0.00 O ATOM 0 H GLY B 10 104.026 75.015 42.198 1.00 0.00 H new ATOM 0 HA2 GLY B 10 103.907 73.637 40.227 1.00 0.00 H new ATOM 0 HA3 GLY B 10 105.601 73.936 39.891 1.00 0.00 H new ATOM 915 N LEU B 11 106.175 72.622 42.400 1.00 0.00 N ATOM 916 CA LEU B 11 106.586 71.430 43.197 1.00 0.00 C ATOM 917 C LEU B 11 105.507 71.082 44.228 1.00 0.00 C ATOM 918 O LEU B 11 105.454 69.979 44.735 1.00 0.00 O ATOM 919 CB LEU B 11 107.881 71.849 43.894 1.00 0.00 C ATOM 920 CG LEU B 11 108.348 70.727 44.822 1.00 0.00 C ATOM 921 CD1 LEU B 11 109.853 70.510 44.645 1.00 0.00 C ATOM 922 CD2 LEU B 11 108.056 71.112 46.274 1.00 0.00 C ATOM 0 H LEU B 11 106.655 73.490 42.638 1.00 0.00 H new ATOM 0 HA LEU B 11 106.725 70.545 42.576 1.00 0.00 H new ATOM 0 HB2 LEU B 11 108.651 72.067 43.154 1.00 0.00 H new ATOM 0 HB3 LEU B 11 107.720 72.764 44.465 1.00 0.00 H new ATOM 0 HG LEU B 11 107.817 69.807 44.575 1.00 0.00 H new ATOM 0 HD11 LEU B 11 110.186 69.710 45.307 1.00 0.00 H new ATOM 0 HD12 LEU B 11 110.062 70.236 43.611 1.00 0.00 H new ATOM 0 HD13 LEU B 11 110.385 71.429 44.891 1.00 0.00 H new ATOM 0 HD21 LEU B 11 108.389 70.313 46.936 1.00 0.00 H new ATOM 0 HD22 LEU B 11 108.587 72.032 46.520 1.00 0.00 H new ATOM 0 HD23 LEU B 11 106.984 71.266 46.401 1.00 0.00 H new ATOM 934 N THR B 12 104.651 72.014 44.545 1.00 0.00 N ATOM 935 CA THR B 12 103.579 71.735 45.545 1.00 0.00 C ATOM 936 C THR B 12 102.554 70.756 44.968 1.00 0.00 C ATOM 937 O THR B 12 102.274 69.724 45.544 1.00 0.00 O ATOM 938 CB THR B 12 102.930 73.094 45.817 1.00 0.00 C ATOM 939 OG1 THR B 12 103.889 73.967 46.395 1.00 0.00 O ATOM 940 CG2 THR B 12 101.752 72.917 46.777 1.00 0.00 C ATOM 0 H THR B 12 104.647 72.957 44.156 1.00 0.00 H new ATOM 0 HA THR B 12 103.972 71.280 46.454 1.00 0.00 H new ATOM 0 HB THR B 12 102.570 73.519 44.880 1.00 0.00 H new ATOM 0 HG1 THR B 12 103.476 74.838 46.568 1.00 0.00 H new ATOM 0 HG21 THR B 12 101.291 73.886 46.970 1.00 0.00 H new ATOM 0 HG22 THR B 12 101.017 72.247 46.331 1.00 0.00 H new ATOM 0 HG23 THR B 12 102.108 72.492 47.715 1.00 0.00 H new ATOM 948 N GLU B 13 101.994 71.074 43.836 1.00 0.00 N ATOM 949 CA GLU B 13 100.984 70.165 43.220 1.00 0.00 C ATOM 950 C GLU B 13 101.561 68.755 43.066 1.00 0.00 C ATOM 951 O GLU B 13 100.871 67.770 43.238 1.00 0.00 O ATOM 952 CB GLU B 13 100.687 70.774 41.849 1.00 0.00 C ATOM 953 CG GLU B 13 99.733 71.959 42.013 1.00 0.00 C ATOM 954 CD GLU B 13 99.928 72.937 40.853 1.00 0.00 C ATOM 955 OE1 GLU B 13 100.150 72.475 39.745 1.00 0.00 O ATOM 956 OE2 GLU B 13 99.851 74.131 41.091 1.00 0.00 O ATOM 0 H GLU B 13 102.191 71.925 43.308 1.00 0.00 H new ATOM 0 HA GLU B 13 100.086 70.074 43.831 1.00 0.00 H new ATOM 0 HB2 GLU B 13 101.613 71.102 41.376 1.00 0.00 H new ATOM 0 HB3 GLU B 13 100.243 70.024 41.194 1.00 0.00 H new ATOM 0 HG2 GLU B 13 98.701 71.608 42.037 1.00 0.00 H new ATOM 0 HG3 GLU B 13 99.921 72.462 42.962 1.00 0.00 H new ATOM 963 N LEU B 14 102.821 68.650 42.743 1.00 0.00 N ATOM 964 CA LEU B 14 103.440 67.303 42.577 1.00 0.00 C ATOM 965 C LEU B 14 103.407 66.536 43.903 1.00 0.00 C ATOM 966 O LEU B 14 102.833 65.470 44.000 1.00 0.00 O ATOM 967 CB LEU B 14 104.881 67.581 42.152 1.00 0.00 C ATOM 968 CG LEU B 14 104.939 67.779 40.636 1.00 0.00 C ATOM 969 CD1 LEU B 14 106.363 68.154 40.223 1.00 0.00 C ATOM 970 CD2 LEU B 14 104.532 66.480 39.938 1.00 0.00 C ATOM 0 H LEU B 14 103.449 69.438 42.587 1.00 0.00 H new ATOM 0 HA LEU B 14 102.910 66.692 41.846 1.00 0.00 H new ATOM 0 HB2 LEU B 14 105.256 68.470 42.660 1.00 0.00 H new ATOM 0 HB3 LEU B 14 105.524 66.751 42.446 1.00 0.00 H new ATOM 0 HG LEU B 14 104.256 68.578 40.348 1.00 0.00 H new ATOM 0 HD11 LEU B 14 106.403 68.295 39.143 1.00 0.00 H new ATOM 0 HD12 LEU B 14 106.655 69.079 40.721 1.00 0.00 H new ATOM 0 HD13 LEU B 14 107.047 67.356 40.511 1.00 0.00 H new ATOM 0 HD21 LEU B 14 104.573 66.619 38.858 1.00 0.00 H new ATOM 0 HD22 LEU B 14 105.216 65.682 40.227 1.00 0.00 H new ATOM 0 HD23 LEU B 14 103.517 66.212 40.231 1.00 0.00 H new ATOM 982 N LEU B 15 104.021 67.070 44.924 1.00 0.00 N ATOM 983 CA LEU B 15 104.027 66.368 46.240 1.00 0.00 C ATOM 984 C LEU B 15 102.594 66.158 46.736 1.00 0.00 C ATOM 985 O LEU B 15 102.219 65.073 47.134 1.00 0.00 O ATOM 986 CB LEU B 15 104.793 67.297 47.182 1.00 0.00 C ATOM 987 CG LEU B 15 106.263 66.875 47.230 1.00 0.00 C ATOM 988 CD1 LEU B 15 106.886 67.032 45.840 1.00 0.00 C ATOM 989 CD2 LEU B 15 107.015 67.761 48.225 1.00 0.00 C ATOM 0 H LEU B 15 104.518 67.961 44.904 1.00 0.00 H new ATOM 0 HA LEU B 15 104.487 65.382 46.179 1.00 0.00 H new ATOM 0 HB2 LEU B 15 104.711 68.328 46.839 1.00 0.00 H new ATOM 0 HB3 LEU B 15 104.359 67.257 48.181 1.00 0.00 H new ATOM 0 HG LEU B 15 106.331 65.833 47.544 1.00 0.00 H new ATOM 0 HD11 LEU B 15 107.933 66.731 45.875 1.00 0.00 H new ATOM 0 HD12 LEU B 15 106.351 66.403 45.128 1.00 0.00 H new ATOM 0 HD13 LEU B 15 106.818 68.074 45.526 1.00 0.00 H new ATOM 0 HD21 LEU B 15 108.062 67.461 48.260 1.00 0.00 H new ATOM 0 HD22 LEU B 15 106.946 68.802 47.910 1.00 0.00 H new ATOM 0 HD23 LEU B 15 106.573 67.652 49.215 1.00 0.00 H new ATOM 1001 N GLN B 16 101.785 67.184 46.715 1.00 0.00 N ATOM 1002 CA GLN B 16 100.377 67.030 47.184 1.00 0.00 C ATOM 1003 C GLN B 16 99.706 65.868 46.447 1.00 0.00 C ATOM 1004 O GLN B 16 98.954 65.106 47.021 1.00 0.00 O ATOM 1005 CB GLN B 16 99.691 68.353 46.843 1.00 0.00 C ATOM 1006 CG GLN B 16 98.897 68.843 48.055 1.00 0.00 C ATOM 1007 CD GLN B 16 98.124 70.111 47.684 1.00 0.00 C ATOM 1008 OE1 GLN B 16 97.032 70.037 47.157 1.00 0.00 O ATOM 1009 NE2 GLN B 16 98.649 71.278 47.939 1.00 0.00 N ATOM 0 H GLN B 16 102.037 68.119 46.395 1.00 0.00 H new ATOM 0 HA GLN B 16 100.318 66.811 48.250 1.00 0.00 H new ATOM 0 HB2 GLN B 16 100.434 69.097 46.557 1.00 0.00 H new ATOM 0 HB3 GLN B 16 99.027 68.221 45.989 1.00 0.00 H new ATOM 0 HG2 GLN B 16 98.206 68.068 48.387 1.00 0.00 H new ATOM 0 HG3 GLN B 16 99.572 69.047 48.886 1.00 0.00 H new ATOM 0 HE21 GLN B 16 99.566 71.339 48.382 1.00 0.00 H new ATOM 0 HE22 GLN B 16 98.142 72.129 47.696 1.00 0.00 H new ATOM 1018 N GLY B 17 99.981 65.719 45.177 1.00 0.00 N ATOM 1019 CA GLY B 17 99.367 64.598 44.412 1.00 0.00 C ATOM 1020 C GLY B 17 99.714 63.280 45.103 1.00 0.00 C ATOM 1021 O GLY B 17 98.851 62.492 45.432 1.00 0.00 O ATOM 0 H GLY B 17 100.602 66.324 44.640 1.00 0.00 H new ATOM 0 HA2 GLY B 17 98.285 64.724 44.361 1.00 0.00 H new ATOM 0 HA3 GLY B 17 99.736 64.595 43.386 1.00 0.00 H new ATOM 1025 N TYR B 18 100.979 63.045 45.342 1.00 0.00 N ATOM 1026 CA TYR B 18 101.402 61.790 46.029 1.00 0.00 C ATOM 1027 C TYR B 18 100.546 61.558 47.278 1.00 0.00 C ATOM 1028 O TYR B 18 100.040 60.479 47.511 1.00 0.00 O ATOM 1029 CB TYR B 18 102.856 62.046 46.424 1.00 0.00 C ATOM 1030 CG TYR B 18 103.649 60.771 46.307 1.00 0.00 C ATOM 1031 CD1 TYR B 18 103.561 59.992 45.135 1.00 0.00 C ATOM 1032 CD2 TYR B 18 104.482 60.358 47.372 1.00 0.00 C ATOM 1033 CE1 TYR B 18 104.305 58.796 45.023 1.00 0.00 C ATOM 1034 CE2 TYR B 18 105.226 59.164 47.262 1.00 0.00 C ATOM 1035 CZ TYR B 18 105.138 58.381 46.088 1.00 0.00 C ATOM 1036 OH TYR B 18 105.866 57.212 45.980 1.00 0.00 O ATOM 0 H TYR B 18 101.741 63.674 45.088 1.00 0.00 H new ATOM 0 HA TYR B 18 101.290 60.908 45.398 1.00 0.00 H new ATOM 0 HB2 TYR B 18 103.287 62.813 45.781 1.00 0.00 H new ATOM 0 HB3 TYR B 18 102.904 62.422 47.446 1.00 0.00 H new ATOM 0 HD1 TYR B 18 102.925 60.310 44.322 1.00 0.00 H new ATOM 0 HD2 TYR B 18 104.549 60.956 48.269 1.00 0.00 H new ATOM 0 HE1 TYR B 18 104.238 58.199 44.125 1.00 0.00 H new ATOM 0 HE2 TYR B 18 105.863 58.848 48.075 1.00 0.00 H new ATOM 0 HH TYR B 18 105.356 56.556 45.460 1.00 0.00 H new ATOM 1046 N THR B 19 100.384 62.573 48.078 1.00 0.00 N ATOM 1047 CA THR B 19 99.565 62.436 49.316 1.00 0.00 C ATOM 1048 C THR B 19 98.199 61.822 48.991 1.00 0.00 C ATOM 1049 O THR B 19 97.692 60.991 49.718 1.00 0.00 O ATOM 1050 CB THR B 19 99.407 63.870 49.824 1.00 0.00 C ATOM 1051 OG1 THR B 19 100.661 64.534 49.756 1.00 0.00 O ATOM 1052 CG2 THR B 19 98.914 63.857 51.269 1.00 0.00 C ATOM 0 H THR B 19 100.786 63.498 47.928 1.00 0.00 H new ATOM 0 HA THR B 19 100.028 61.782 50.055 1.00 0.00 H new ATOM 0 HB THR B 19 98.680 64.394 49.203 1.00 0.00 H new ATOM 0 HG1 THR B 19 100.562 65.454 50.079 1.00 0.00 H new ATOM 0 HG21 THR B 19 98.804 64.881 51.625 1.00 0.00 H new ATOM 0 HG22 THR B 19 97.951 63.349 51.320 1.00 0.00 H new ATOM 0 HG23 THR B 19 99.635 63.331 51.895 1.00 0.00 H new ATOM 1060 N VAL B 20 97.598 62.227 47.905 1.00 0.00 N ATOM 1061 CA VAL B 20 96.262 61.673 47.538 1.00 0.00 C ATOM 1062 C VAL B 20 96.404 60.268 46.941 1.00 0.00 C ATOM 1063 O VAL B 20 95.488 59.471 46.989 1.00 0.00 O ATOM 1064 CB VAL B 20 95.705 62.640 46.494 1.00 0.00 C ATOM 1065 CG1 VAL B 20 94.323 62.165 46.044 1.00 0.00 C ATOM 1066 CG2 VAL B 20 95.590 64.038 47.105 1.00 0.00 C ATOM 0 H VAL B 20 97.974 62.918 47.256 1.00 0.00 H new ATOM 0 HA VAL B 20 95.608 61.581 48.405 1.00 0.00 H new ATOM 0 HB VAL B 20 96.375 62.672 45.635 1.00 0.00 H new ATOM 0 HG11 VAL B 20 93.926 62.855 45.299 1.00 0.00 H new ATOM 0 HG12 VAL B 20 94.404 61.169 45.609 1.00 0.00 H new ATOM 0 HG13 VAL B 20 93.652 62.132 46.902 1.00 0.00 H new ATOM 0 HG21 VAL B 20 95.193 64.729 46.361 1.00 0.00 H new ATOM 0 HG22 VAL B 20 94.920 64.006 47.964 1.00 0.00 H new ATOM 0 HG23 VAL B 20 96.575 64.377 47.425 1.00 0.00 H new ATOM 1076 N GLU B 21 97.538 59.958 46.376 1.00 0.00 N ATOM 1077 CA GLU B 21 97.722 58.599 45.776 1.00 0.00 C ATOM 1078 C GLU B 21 98.193 57.632 46.856 1.00 0.00 C ATOM 1079 O GLU B 21 97.560 56.633 47.137 1.00 0.00 O ATOM 1080 CB GLU B 21 98.813 58.721 44.691 1.00 0.00 C ATOM 1081 CG GLU B 21 98.804 60.107 44.038 1.00 0.00 C ATOM 1082 CD GLU B 21 99.004 59.965 42.529 1.00 0.00 C ATOM 1083 OE1 GLU B 21 98.018 59.771 41.836 1.00 0.00 O ATOM 1084 OE2 GLU B 21 100.139 60.054 42.090 1.00 0.00 O ATOM 0 H GLU B 21 98.343 60.580 46.302 1.00 0.00 H new ATOM 0 HA GLU B 21 96.788 58.230 45.351 1.00 0.00 H new ATOM 0 HB2 GLU B 21 99.791 58.533 45.134 1.00 0.00 H new ATOM 0 HB3 GLU B 21 98.656 57.958 43.929 1.00 0.00 H new ATOM 0 HG2 GLU B 21 97.860 60.611 44.244 1.00 0.00 H new ATOM 0 HG3 GLU B 21 99.595 60.725 44.463 1.00 0.00 H new ATOM 1091 N VAL B 22 99.306 57.929 47.460 1.00 0.00 N ATOM 1092 CA VAL B 22 99.842 57.042 48.526 1.00 0.00 C ATOM 1093 C VAL B 22 98.768 56.779 49.585 1.00 0.00 C ATOM 1094 O VAL B 22 98.777 55.764 50.252 1.00 0.00 O ATOM 1095 CB VAL B 22 101.015 57.819 49.121 1.00 0.00 C ATOM 1096 CG1 VAL B 22 101.710 56.961 50.170 1.00 0.00 C ATOM 1097 CG2 VAL B 22 102.015 58.166 48.015 1.00 0.00 C ATOM 0 H VAL B 22 99.872 58.754 47.260 1.00 0.00 H new ATOM 0 HA VAL B 22 100.149 56.068 48.146 1.00 0.00 H new ATOM 0 HB VAL B 22 100.644 58.736 49.580 1.00 0.00 H new ATOM 0 HG11 VAL B 22 102.547 57.514 50.596 1.00 0.00 H new ATOM 0 HG12 VAL B 22 101.003 56.708 50.960 1.00 0.00 H new ATOM 0 HG13 VAL B 22 102.078 56.046 49.706 1.00 0.00 H new ATOM 0 HG21 VAL B 22 102.851 58.720 48.441 1.00 0.00 H new ATOM 0 HG22 VAL B 22 102.384 57.248 47.557 1.00 0.00 H new ATOM 0 HG23 VAL B 22 101.523 58.777 47.258 1.00 0.00 H new ATOM 1107 N LEU B 23 97.840 57.684 49.741 1.00 0.00 N ATOM 1108 CA LEU B 23 96.765 57.478 50.754 1.00 0.00 C ATOM 1109 C LEU B 23 95.627 56.650 50.151 1.00 0.00 C ATOM 1110 O LEU B 23 95.043 55.808 50.805 1.00 0.00 O ATOM 1111 CB LEU B 23 96.277 58.882 51.109 1.00 0.00 C ATOM 1112 CG LEU B 23 95.439 58.822 52.387 1.00 0.00 C ATOM 1113 CD1 LEU B 23 96.348 58.994 53.605 1.00 0.00 C ATOM 1114 CD2 LEU B 23 94.397 59.943 52.365 1.00 0.00 C ATOM 0 H LEU B 23 97.779 58.554 49.213 1.00 0.00 H new ATOM 0 HA LEU B 23 97.122 56.939 51.632 1.00 0.00 H new ATOM 0 HB2 LEU B 23 97.127 59.549 51.250 1.00 0.00 H new ATOM 0 HB3 LEU B 23 95.683 59.290 50.291 1.00 0.00 H new ATOM 0 HG LEU B 23 94.935 57.857 52.446 1.00 0.00 H new ATOM 0 HD11 LEU B 23 95.749 58.951 54.515 1.00 0.00 H new ATOM 0 HD12 LEU B 23 97.090 58.196 53.621 1.00 0.00 H new ATOM 0 HD13 LEU B 23 96.853 59.958 53.549 1.00 0.00 H new ATOM 0 HD21 LEU B 23 93.799 59.902 53.275 1.00 0.00 H new ATOM 0 HD22 LEU B 23 94.901 60.907 52.306 1.00 0.00 H new ATOM 0 HD23 LEU B 23 93.748 59.819 51.498 1.00 0.00 H new ATOM 1126 N ARG B 24 95.309 56.879 48.905 1.00 0.00 N ATOM 1127 CA ARG B 24 94.211 56.102 48.260 1.00 0.00 C ATOM 1128 C ARG B 24 94.743 54.755 47.765 1.00 0.00 C ATOM 1129 O ARG B 24 94.212 53.711 48.090 1.00 0.00 O ATOM 1130 CB ARG B 24 93.752 56.964 47.083 1.00 0.00 C ATOM 1131 CG ARG B 24 92.282 56.669 46.778 1.00 0.00 C ATOM 1132 CD ARG B 24 92.189 55.517 45.774 1.00 0.00 C ATOM 1133 NE ARG B 24 91.169 54.593 46.343 1.00 0.00 N ATOM 1134 CZ ARG B 24 90.136 54.241 45.628 1.00 0.00 C ATOM 1135 NH1 ARG B 24 90.266 54.052 44.343 1.00 0.00 N ATOM 1136 NH2 ARG B 24 88.974 54.078 46.198 1.00 0.00 N ATOM 0 H ARG B 24 95.762 57.570 48.306 1.00 0.00 H new ATOM 0 HA ARG B 24 93.394 55.889 48.949 1.00 0.00 H new ATOM 0 HB2 ARG B 24 93.881 58.020 47.320 1.00 0.00 H new ATOM 0 HB3 ARG B 24 94.365 56.757 46.206 1.00 0.00 H new ATOM 0 HG2 ARG B 24 91.754 56.409 47.696 1.00 0.00 H new ATOM 0 HG3 ARG B 24 91.798 57.558 46.373 1.00 0.00 H new ATOM 0 HD2 ARG B 24 91.891 55.875 44.788 1.00 0.00 H new ATOM 0 HD3 ARG B 24 93.151 55.018 45.655 1.00 0.00 H new ATOM 0 HE ARG B 24 91.278 54.235 47.292 1.00 0.00 H new ATOM 0 HH11 ARG B 24 91.175 54.179 43.898 1.00 0.00 H new ATOM 0 HH12 ARG B 24 89.459 53.777 43.784 1.00 0.00 H new ATOM 0 HH21 ARG B 24 88.873 54.226 47.202 1.00 0.00 H new ATOM 0 HH22 ARG B 24 88.166 53.803 45.639 1.00 0.00 H new ATOM 1150 N GLN B 25 95.788 54.769 46.985 1.00 0.00 N ATOM 1151 CA GLN B 25 96.353 53.487 46.473 1.00 0.00 C ATOM 1152 C GLN B 25 96.824 52.619 47.642 1.00 0.00 C ATOM 1153 O GLN B 25 96.619 51.421 47.662 1.00 0.00 O ATOM 1154 CB GLN B 25 97.538 53.895 45.597 1.00 0.00 C ATOM 1155 CG GLN B 25 97.040 54.722 44.410 1.00 0.00 C ATOM 1156 CD GLN B 25 96.380 53.798 43.386 1.00 0.00 C ATOM 1157 OE1 GLN B 25 95.222 53.963 43.058 1.00 0.00 O ATOM 1158 NE2 GLN B 25 97.073 52.825 42.862 1.00 0.00 N ATOM 0 H GLN B 25 96.276 55.611 46.680 1.00 0.00 H new ATOM 0 HA GLN B 25 95.619 52.904 45.916 1.00 0.00 H new ATOM 0 HB2 GLN B 25 98.253 54.474 46.182 1.00 0.00 H new ATOM 0 HB3 GLN B 25 98.062 53.008 45.241 1.00 0.00 H new ATOM 0 HG2 GLN B 25 96.327 55.473 44.750 1.00 0.00 H new ATOM 0 HG3 GLN B 25 97.872 55.256 43.951 1.00 0.00 H new ATOM 0 HE21 GLN B 25 98.045 52.686 43.137 1.00 0.00 H new ATOM 0 HE22 GLN B 25 96.643 52.203 42.177 1.00 0.00 H new ATOM 1167 N GLN B 26 97.453 53.216 48.615 1.00 0.00 N ATOM 1168 CA GLN B 26 97.941 52.432 49.789 1.00 0.00 C ATOM 1169 C GLN B 26 98.740 51.209 49.319 1.00 0.00 C ATOM 1170 O GLN B 26 98.422 50.091 49.675 1.00 0.00 O ATOM 1171 CB GLN B 26 96.676 52.000 50.531 1.00 0.00 C ATOM 1172 CG GLN B 26 96.784 52.409 52.001 1.00 0.00 C ATOM 1173 CD GLN B 26 95.669 51.737 52.803 1.00 0.00 C ATOM 1174 OE1 GLN B 26 95.823 50.624 53.266 1.00 0.00 O ATOM 1175 NE2 GLN B 26 94.543 52.370 52.990 1.00 0.00 N ATOM 0 H GLN B 26 97.652 54.216 48.650 1.00 0.00 H new ATOM 0 HA GLN B 26 98.606 53.014 50.426 1.00 0.00 H new ATOM 0 HB2 GLN B 26 95.799 52.462 50.077 1.00 0.00 H new ATOM 0 HB3 GLN B 26 96.545 50.921 50.451 1.00 0.00 H new ATOM 0 HG2 GLN B 26 97.757 52.120 52.399 1.00 0.00 H new ATOM 0 HG3 GLN B 26 96.710 53.493 52.094 1.00 0.00 H new ATOM 0 HE21 GLN B 26 94.413 53.304 52.602 1.00 0.00 H new ATOM 0 HE22 GLN B 26 93.793 51.930 53.524 1.00 0.00 H new ATOM 1184 N PRO B 27 99.758 51.460 48.533 1.00 0.00 N ATOM 1185 CA PRO B 27 100.604 50.356 48.015 1.00 0.00 C ATOM 1186 C PRO B 27 101.465 49.766 49.141 1.00 0.00 C ATOM 1187 O PRO B 27 101.739 50.432 50.120 1.00 0.00 O ATOM 1188 CB PRO B 27 101.476 51.035 46.961 1.00 0.00 C ATOM 1189 CG PRO B 27 101.520 52.472 47.367 1.00 0.00 C ATOM 1190 CD PRO B 27 100.213 52.771 48.053 1.00 0.00 C ATOM 0 HA PRO B 27 100.024 49.526 47.610 1.00 0.00 H new ATOM 0 HB2 PRO B 27 102.475 50.601 46.936 1.00 0.00 H new ATOM 0 HB3 PRO B 27 101.053 50.919 45.963 1.00 0.00 H new ATOM 0 HG2 PRO B 27 102.360 52.659 48.037 1.00 0.00 H new ATOM 0 HG3 PRO B 27 101.656 53.115 46.498 1.00 0.00 H new ATOM 0 HD2 PRO B 27 100.345 53.474 48.876 1.00 0.00 H new ATOM 0 HD3 PRO B 27 99.494 53.216 47.366 1.00 0.00 H new ATOM 1198 N PRO B 28 101.866 48.530 48.966 1.00 0.00 N ATOM 1199 CA PRO B 28 102.704 47.855 49.987 1.00 0.00 C ATOM 1200 C PRO B 28 104.120 48.438 49.993 1.00 0.00 C ATOM 1201 O PRO B 28 104.843 48.327 50.963 1.00 0.00 O ATOM 1202 CB PRO B 28 102.717 46.397 49.535 1.00 0.00 C ATOM 1203 CG PRO B 28 102.450 46.447 48.066 1.00 0.00 C ATOM 1204 CD PRO B 28 101.584 47.655 47.820 1.00 0.00 C ATOM 0 HA PRO B 28 102.323 47.978 51.001 1.00 0.00 H new ATOM 0 HB2 PRO B 28 103.677 45.927 49.746 1.00 0.00 H new ATOM 0 HB3 PRO B 28 101.956 45.815 50.055 1.00 0.00 H new ATOM 0 HG2 PRO B 28 103.382 46.520 47.506 1.00 0.00 H new ATOM 0 HG3 PRO B 28 101.949 45.538 47.733 1.00 0.00 H new ATOM 0 HD2 PRO B 28 101.833 48.140 46.876 1.00 0.00 H new ATOM 0 HD3 PRO B 28 100.529 47.387 47.772 1.00 0.00 H new ATOM 1212 N ASP B 29 104.523 49.058 48.917 1.00 0.00 N ATOM 1213 CA ASP B 29 105.893 49.645 48.865 1.00 0.00 C ATOM 1214 C ASP B 29 105.854 51.029 48.208 1.00 0.00 C ATOM 1215 O ASP B 29 105.469 51.174 47.065 1.00 0.00 O ATOM 1216 CB ASP B 29 106.710 48.669 48.016 1.00 0.00 C ATOM 1217 CG ASP B 29 107.037 47.423 48.842 1.00 0.00 C ATOM 1218 OD1 ASP B 29 107.273 47.569 50.030 1.00 0.00 O ATOM 1219 OD2 ASP B 29 107.045 46.345 48.272 1.00 0.00 O ATOM 0 H ASP B 29 103.964 49.183 48.073 1.00 0.00 H new ATOM 0 HA ASP B 29 106.322 49.779 49.858 1.00 0.00 H new ATOM 0 HB2 ASP B 29 106.150 48.390 47.124 1.00 0.00 H new ATOM 0 HB3 ASP B 29 107.630 49.146 47.679 1.00 0.00 H new ATOM 1224 N LEU B 30 106.253 52.045 48.925 1.00 0.00 N ATOM 1225 CA LEU B 30 106.240 53.420 48.345 1.00 0.00 C ATOM 1226 C LEU B 30 107.479 53.636 47.473 1.00 0.00 C ATOM 1227 O LEU B 30 107.451 54.381 46.513 1.00 0.00 O ATOM 1228 CB LEU B 30 106.266 54.355 49.554 1.00 0.00 C ATOM 1229 CG LEU B 30 106.127 55.804 49.084 1.00 0.00 C ATOM 1230 CD1 LEU B 30 104.689 56.275 49.301 1.00 0.00 C ATOM 1231 CD2 LEU B 30 107.080 56.694 49.887 1.00 0.00 C ATOM 0 H LEU B 30 106.587 51.983 49.887 1.00 0.00 H new ATOM 0 HA LEU B 30 105.371 53.595 47.711 1.00 0.00 H new ATOM 0 HB2 LEU B 30 105.455 54.104 50.238 1.00 0.00 H new ATOM 0 HB3 LEU B 30 107.198 54.228 50.105 1.00 0.00 H new ATOM 0 HG LEU B 30 106.375 55.867 48.024 1.00 0.00 H new ATOM 0 HD11 LEU B 30 104.590 57.308 48.966 1.00 0.00 H new ATOM 0 HD12 LEU B 30 104.009 55.642 48.731 1.00 0.00 H new ATOM 0 HD13 LEU B 30 104.441 56.212 50.361 1.00 0.00 H new ATOM 0 HD21 LEU B 30 106.982 57.727 49.553 1.00 0.00 H new ATOM 0 HD22 LEU B 30 106.832 56.630 50.946 1.00 0.00 H new ATOM 0 HD23 LEU B 30 108.106 56.359 49.734 1.00 0.00 H new ATOM 1243 N VAL B 31 108.566 52.989 47.796 1.00 0.00 N ATOM 1244 CA VAL B 31 109.806 53.156 46.981 1.00 0.00 C ATOM 1245 C VAL B 31 109.498 52.926 45.502 1.00 0.00 C ATOM 1246 O VAL B 31 109.579 53.826 44.689 1.00 0.00 O ATOM 1247 CB VAL B 31 110.765 52.082 47.494 1.00 0.00 C ATOM 1248 CG1 VAL B 31 112.119 52.232 46.797 1.00 0.00 C ATOM 1249 CG2 VAL B 31 110.949 52.242 49.005 1.00 0.00 C ATOM 0 H VAL B 31 108.650 52.352 48.588 1.00 0.00 H new ATOM 0 HA VAL B 31 110.226 54.158 47.071 1.00 0.00 H new ATOM 0 HB VAL B 31 110.353 51.096 47.280 1.00 0.00 H new ATOM 0 HG11 VAL B 31 112.803 51.466 47.163 1.00 0.00 H new ATOM 0 HG12 VAL B 31 111.989 52.118 45.721 1.00 0.00 H new ATOM 0 HG13 VAL B 31 112.531 53.218 47.010 1.00 0.00 H new ATOM 0 HG21 VAL B 31 111.633 51.476 49.371 1.00 0.00 H new ATOM 0 HG22 VAL B 31 111.360 53.228 49.219 1.00 0.00 H new ATOM 0 HG23 VAL B 31 109.985 52.135 49.502 1.00 0.00 H new ATOM 1259 N ASP B 32 109.141 51.723 45.151 1.00 0.00 N ATOM 1260 CA ASP B 32 108.820 51.423 43.730 1.00 0.00 C ATOM 1261 C ASP B 32 107.731 52.374 43.229 1.00 0.00 C ATOM 1262 O ASP B 32 107.803 52.894 42.133 1.00 0.00 O ATOM 1263 CB ASP B 32 108.315 49.981 43.749 1.00 0.00 C ATOM 1264 CG ASP B 32 108.846 49.234 42.524 1.00 0.00 C ATOM 1265 OD1 ASP B 32 110.049 49.247 42.323 1.00 0.00 O ATOM 1266 OD2 ASP B 32 108.041 48.661 41.808 1.00 0.00 O ATOM 0 H ASP B 32 109.058 50.932 45.790 1.00 0.00 H new ATOM 0 HA ASP B 32 109.676 51.548 43.067 1.00 0.00 H new ATOM 0 HB2 ASP B 32 108.642 49.483 44.661 1.00 0.00 H new ATOM 0 HB3 ASP B 32 107.225 49.967 43.752 1.00 0.00 H new ATOM 1271 N PHE B 33 106.725 52.610 44.025 1.00 0.00 N ATOM 1272 CA PHE B 33 105.637 53.534 43.594 1.00 0.00 C ATOM 1273 C PHE B 33 106.221 54.911 43.270 1.00 0.00 C ATOM 1274 O PHE B 33 105.968 55.475 42.225 1.00 0.00 O ATOM 1275 CB PHE B 33 104.690 53.623 44.793 1.00 0.00 C ATOM 1276 CG PHE B 33 103.506 54.486 44.429 1.00 0.00 C ATOM 1277 CD1 PHE B 33 102.665 54.114 43.356 1.00 0.00 C ATOM 1278 CD2 PHE B 33 103.240 55.666 45.160 1.00 0.00 C ATOM 1279 CE1 PHE B 33 101.559 54.924 43.013 1.00 0.00 C ATOM 1280 CE2 PHE B 33 102.133 56.475 44.816 1.00 0.00 C ATOM 1281 CZ PHE B 33 101.293 56.103 43.742 1.00 0.00 C ATOM 0 H PHE B 33 106.609 52.204 44.954 1.00 0.00 H new ATOM 0 HA PHE B 33 105.125 53.182 42.699 1.00 0.00 H new ATOM 0 HB2 PHE B 33 104.354 52.627 45.081 1.00 0.00 H new ATOM 0 HB3 PHE B 33 105.211 54.044 45.653 1.00 0.00 H new ATOM 0 HD1 PHE B 33 102.867 53.211 42.799 1.00 0.00 H new ATOM 0 HD2 PHE B 33 103.882 55.949 45.981 1.00 0.00 H new ATOM 0 HE1 PHE B 33 100.917 54.641 42.192 1.00 0.00 H new ATOM 0 HE2 PHE B 33 101.929 57.377 45.374 1.00 0.00 H new ATOM 0 HZ PHE B 33 100.447 56.721 43.479 1.00 0.00 H new ATOM 1291 N ALA B 34 107.003 55.453 44.163 1.00 0.00 N ATOM 1292 CA ALA B 34 107.607 56.792 43.913 1.00 0.00 C ATOM 1293 C ALA B 34 108.340 56.805 42.569 1.00 0.00 C ATOM 1294 O ALA B 34 108.281 57.767 41.829 1.00 0.00 O ATOM 1295 CB ALA B 34 108.594 57.001 45.063 1.00 0.00 C ATOM 0 H ALA B 34 107.250 55.026 45.056 1.00 0.00 H new ATOM 0 HA ALA B 34 106.855 57.580 43.869 1.00 0.00 H new ATOM 0 HB1 ALA B 34 109.083 57.969 44.952 1.00 0.00 H new ATOM 0 HB2 ALA B 34 108.058 56.972 46.012 1.00 0.00 H new ATOM 0 HB3 ALA B 34 109.345 56.211 45.046 1.00 0.00 H new ATOM 1301 N VAL B 35 109.034 55.747 42.248 1.00 0.00 N ATOM 1302 CA VAL B 35 109.770 55.703 40.957 1.00 0.00 C ATOM 1303 C VAL B 35 108.793 55.507 39.795 1.00 0.00 C ATOM 1304 O VAL B 35 108.869 56.182 38.788 1.00 0.00 O ATOM 1305 CB VAL B 35 110.701 54.500 41.091 1.00 0.00 C ATOM 1306 CG1 VAL B 35 111.442 54.281 39.776 1.00 0.00 C ATOM 1307 CG2 VAL B 35 111.714 54.764 42.207 1.00 0.00 C ATOM 0 H VAL B 35 109.122 54.911 42.826 1.00 0.00 H new ATOM 0 HA VAL B 35 110.315 56.625 40.752 1.00 0.00 H new ATOM 0 HB VAL B 35 110.116 53.612 41.331 1.00 0.00 H new ATOM 0 HG11 VAL B 35 112.107 53.422 39.871 1.00 0.00 H new ATOM 0 HG12 VAL B 35 110.722 54.096 38.979 1.00 0.00 H new ATOM 0 HG13 VAL B 35 112.028 55.168 39.536 1.00 0.00 H new ATOM 0 HG21 VAL B 35 112.380 53.906 42.304 1.00 0.00 H new ATOM 0 HG22 VAL B 35 112.299 55.652 41.965 1.00 0.00 H new ATOM 0 HG23 VAL B 35 111.186 54.922 43.147 1.00 0.00 H new ATOM 1317 N GLU B 36 107.875 54.589 39.925 1.00 0.00 N ATOM 1318 CA GLU B 36 106.897 54.353 38.824 1.00 0.00 C ATOM 1319 C GLU B 36 106.019 55.591 38.619 1.00 0.00 C ATOM 1320 O GLU B 36 105.477 55.810 37.554 1.00 0.00 O ATOM 1321 CB GLU B 36 106.053 53.166 39.293 1.00 0.00 C ATOM 1322 CG GLU B 36 106.960 51.953 39.518 1.00 0.00 C ATOM 1323 CD GLU B 36 106.951 51.070 38.269 1.00 0.00 C ATOM 1324 OE1 GLU B 36 105.911 50.508 37.973 1.00 0.00 O ATOM 1325 OE2 GLU B 36 107.986 50.971 37.631 1.00 0.00 O ATOM 0 H GLU B 36 107.759 53.993 40.744 1.00 0.00 H new ATOM 0 HA GLU B 36 107.388 54.153 37.871 1.00 0.00 H new ATOM 0 HB2 GLU B 36 105.531 53.419 40.216 1.00 0.00 H new ATOM 0 HB3 GLU B 36 105.291 52.931 38.550 1.00 0.00 H new ATOM 0 HG2 GLU B 36 107.976 52.281 39.737 1.00 0.00 H new ATOM 0 HG3 GLU B 36 106.616 51.384 40.381 1.00 0.00 H new ATOM 1332 N TYR B 37 105.873 56.403 39.631 1.00 0.00 N ATOM 1333 CA TYR B 37 105.028 57.624 39.489 1.00 0.00 C ATOM 1334 C TYR B 37 105.744 58.673 38.633 1.00 0.00 C ATOM 1335 O TYR B 37 105.330 58.975 37.532 1.00 0.00 O ATOM 1336 CB TYR B 37 104.835 58.138 40.917 1.00 0.00 C ATOM 1337 CG TYR B 37 104.013 59.407 40.893 1.00 0.00 C ATOM 1338 CD1 TYR B 37 102.866 59.494 40.070 1.00 0.00 C ATOM 1339 CD2 TYR B 37 104.390 60.506 41.696 1.00 0.00 C ATOM 1340 CE1 TYR B 37 102.100 60.680 40.049 1.00 0.00 C ATOM 1341 CE2 TYR B 37 103.622 61.693 41.676 1.00 0.00 C ATOM 1342 CZ TYR B 37 102.477 61.780 40.852 1.00 0.00 C ATOM 1343 OH TYR B 37 101.728 62.938 40.832 1.00 0.00 O ATOM 0 H TYR B 37 106.301 56.274 40.548 1.00 0.00 H new ATOM 0 HA TYR B 37 104.078 57.412 38.998 1.00 0.00 H new ATOM 0 HB2 TYR B 37 104.336 57.381 41.522 1.00 0.00 H new ATOM 0 HB3 TYR B 37 105.803 58.329 41.380 1.00 0.00 H new ATOM 0 HD1 TYR B 37 102.576 58.653 39.457 1.00 0.00 H new ATOM 0 HD2 TYR B 37 105.265 60.440 42.325 1.00 0.00 H new ATOM 0 HE1 TYR B 37 101.225 60.746 39.419 1.00 0.00 H new ATOM 0 HE2 TYR B 37 103.910 62.533 42.290 1.00 0.00 H new ATOM 0 HH TYR B 37 102.124 63.595 41.442 1.00 0.00 H new ATOM 1353 N PHE B 38 106.813 59.231 39.131 1.00 0.00 N ATOM 1354 CA PHE B 38 107.551 60.262 38.346 1.00 0.00 C ATOM 1355 C PHE B 38 108.037 59.676 37.017 1.00 0.00 C ATOM 1356 O PHE B 38 107.819 60.241 35.962 1.00 0.00 O ATOM 1357 CB PHE B 38 108.738 60.653 39.227 1.00 0.00 C ATOM 1358 CG PHE B 38 108.284 61.643 40.272 1.00 0.00 C ATOM 1359 CD1 PHE B 38 107.798 62.911 39.880 1.00 0.00 C ATOM 1360 CD2 PHE B 38 108.344 61.301 41.641 1.00 0.00 C ATOM 1361 CE1 PHE B 38 107.373 63.837 40.859 1.00 0.00 C ATOM 1362 CE2 PHE B 38 107.919 62.228 42.619 1.00 0.00 C ATOM 1363 CZ PHE B 38 107.433 63.496 42.228 1.00 0.00 C ATOM 0 H PHE B 38 107.208 59.018 40.047 1.00 0.00 H new ATOM 0 HA PHE B 38 106.924 61.119 38.100 1.00 0.00 H new ATOM 0 HB2 PHE B 38 109.156 59.768 39.706 1.00 0.00 H new ATOM 0 HB3 PHE B 38 109.529 61.089 38.617 1.00 0.00 H new ATOM 0 HD1 PHE B 38 107.752 63.172 38.833 1.00 0.00 H new ATOM 0 HD2 PHE B 38 108.714 60.332 41.940 1.00 0.00 H new ATOM 0 HE1 PHE B 38 107.002 64.806 40.560 1.00 0.00 H new ATOM 0 HE2 PHE B 38 107.966 61.967 43.666 1.00 0.00 H new ATOM 0 HZ PHE B 38 107.108 64.204 42.976 1.00 0.00 H new ATOM 1373 N THR B 39 108.691 58.545 37.054 1.00 0.00 N ATOM 1374 CA THR B 39 109.185 57.926 35.788 1.00 0.00 C ATOM 1375 C THR B 39 108.054 57.854 34.758 1.00 0.00 C ATOM 1376 O THR B 39 108.273 57.988 33.570 1.00 0.00 O ATOM 1377 CB THR B 39 109.647 56.523 36.184 1.00 0.00 C ATOM 1378 OG1 THR B 39 110.697 56.624 37.136 1.00 0.00 O ATOM 1379 CG2 THR B 39 110.149 55.776 34.946 1.00 0.00 C ATOM 0 H THR B 39 108.904 58.024 37.904 1.00 0.00 H new ATOM 0 HA THR B 39 109.990 58.503 35.333 1.00 0.00 H new ATOM 0 HB THR B 39 108.811 55.976 36.619 1.00 0.00 H new ATOM 0 HG1 THR B 39 110.385 56.292 38.004 1.00 0.00 H new ATOM 0 HG21 THR B 39 110.477 54.777 35.232 1.00 0.00 H new ATOM 0 HG22 THR B 39 109.343 55.698 34.216 1.00 0.00 H new ATOM 0 HG23 THR B 39 110.985 56.320 34.507 1.00 0.00 H new ATOM 1387 N ARG B 40 106.845 57.651 35.204 1.00 0.00 N ATOM 1388 CA ARG B 40 105.703 57.581 34.249 1.00 0.00 C ATOM 1389 C ARG B 40 105.350 58.988 33.759 1.00 0.00 C ATOM 1390 O ARG B 40 104.809 59.165 32.687 1.00 0.00 O ATOM 1391 CB ARG B 40 104.547 56.982 35.051 1.00 0.00 C ATOM 1392 CG ARG B 40 103.338 56.793 34.132 1.00 0.00 C ATOM 1393 CD ARG B 40 102.611 55.498 34.503 1.00 0.00 C ATOM 1394 NE ARG B 40 101.345 55.532 33.719 1.00 0.00 N ATOM 1395 CZ ARG B 40 100.353 54.750 34.048 1.00 0.00 C ATOM 1396 NH1 ARG B 40 99.803 54.855 35.227 1.00 0.00 N ATOM 1397 NH2 ARG B 40 99.911 53.864 33.199 1.00 0.00 N ATOM 0 H ARG B 40 106.599 57.531 36.186 1.00 0.00 H new ATOM 0 HA ARG B 40 105.933 56.982 33.368 1.00 0.00 H new ATOM 0 HB2 ARG B 40 104.845 56.026 35.481 1.00 0.00 H new ATOM 0 HB3 ARG B 40 104.288 57.638 35.882 1.00 0.00 H new ATOM 0 HG2 ARG B 40 102.661 57.642 34.225 1.00 0.00 H new ATOM 0 HG3 ARG B 40 103.661 56.756 33.092 1.00 0.00 H new ATOM 0 HD2 ARG B 40 103.209 54.623 34.250 1.00 0.00 H new ATOM 0 HD3 ARG B 40 102.412 55.449 35.574 1.00 0.00 H new ATOM 0 HE ARG B 40 101.253 56.166 32.925 1.00 0.00 H new ATOM 0 HH11 ARG B 40 100.148 55.548 35.891 1.00 0.00 H new ATOM 0 HH12 ARG B 40 99.028 54.244 35.484 1.00 0.00 H new ATOM 0 HH21 ARG B 40 100.341 53.782 32.278 1.00 0.00 H new ATOM 0 HH22 ARG B 40 99.136 53.253 33.457 1.00 0.00 H new ATOM 1411 N LEU B 41 105.661 59.991 34.537 1.00 0.00 N ATOM 1412 CA LEU B 41 105.351 61.387 34.112 1.00 0.00 C ATOM 1413 C LEU B 41 106.131 61.727 32.840 1.00 0.00 C ATOM 1414 O LEU B 41 105.636 62.395 31.953 1.00 0.00 O ATOM 1415 CB LEU B 41 105.811 62.271 35.273 1.00 0.00 C ATOM 1416 CG LEU B 41 104.649 63.150 35.738 1.00 0.00 C ATOM 1417 CD1 LEU B 41 103.998 62.527 36.974 1.00 0.00 C ATOM 1418 CD2 LEU B 41 105.175 64.545 36.090 1.00 0.00 C ATOM 0 H LEU B 41 106.115 59.904 35.446 1.00 0.00 H new ATOM 0 HA LEU B 41 104.293 61.528 33.891 1.00 0.00 H new ATOM 0 HB2 LEU B 41 106.165 61.652 36.097 1.00 0.00 H new ATOM 0 HB3 LEU B 41 106.649 62.894 34.960 1.00 0.00 H new ATOM 0 HG LEU B 41 103.911 63.228 34.939 1.00 0.00 H new ATOM 0 HD11 LEU B 41 103.170 63.154 37.304 1.00 0.00 H new ATOM 0 HD12 LEU B 41 103.624 61.533 36.727 1.00 0.00 H new ATOM 0 HD13 LEU B 41 104.735 62.449 37.773 1.00 0.00 H new ATOM 0 HD21 LEU B 41 104.348 65.173 36.422 1.00 0.00 H new ATOM 0 HD22 LEU B 41 105.913 64.465 36.889 1.00 0.00 H new ATOM 0 HD23 LEU B 41 105.639 64.991 35.211 1.00 0.00 H new ATOM 1430 N ARG B 42 107.348 61.265 32.744 1.00 0.00 N ATOM 1431 CA ARG B 42 108.167 61.552 31.531 1.00 0.00 C ATOM 1432 C ARG B 42 107.378 61.200 30.266 1.00 0.00 C ATOM 1433 O ARG B 42 107.423 61.904 29.277 1.00 0.00 O ATOM 1434 CB ARG B 42 109.394 60.648 31.663 1.00 0.00 C ATOM 1435 CG ARG B 42 110.647 61.504 31.865 1.00 0.00 C ATOM 1436 CD ARG B 42 111.251 61.204 33.239 1.00 0.00 C ATOM 1437 NE ARG B 42 111.679 59.779 33.168 1.00 0.00 N ATOM 1438 CZ ARG B 42 112.779 59.459 32.545 1.00 0.00 C ATOM 1439 NH1 ARG B 42 113.873 60.135 32.763 1.00 0.00 N ATOM 1440 NH2 ARG B 42 112.784 58.462 31.702 1.00 0.00 N ATOM 0 H ARG B 42 107.812 60.700 33.455 1.00 0.00 H new ATOM 0 HA ARG B 42 108.439 62.605 31.454 1.00 0.00 H new ATOM 0 HB2 ARG B 42 109.267 59.967 32.505 1.00 0.00 H new ATOM 0 HB3 ARG B 42 109.502 60.033 30.770 1.00 0.00 H new ATOM 0 HG2 ARG B 42 111.375 61.293 31.082 1.00 0.00 H new ATOM 0 HG3 ARG B 42 110.394 62.562 31.789 1.00 0.00 H new ATOM 0 HD2 ARG B 42 112.095 61.860 33.451 1.00 0.00 H new ATOM 0 HD3 ARG B 42 110.521 61.358 34.033 1.00 0.00 H new ATOM 0 HE ARG B 42 111.112 59.054 33.607 1.00 0.00 H new ATOM 0 HH11 ARG B 42 113.868 60.914 33.421 1.00 0.00 H new ATOM 0 HH12 ARG B 42 114.733 59.884 32.275 1.00 0.00 H new ATOM 0 HH21 ARG B 42 111.928 57.934 31.531 1.00 0.00 H new ATOM 0 HH22 ARG B 42 113.644 58.211 31.214 1.00 0.00 H new ATOM 1454 N GLU B 43 106.655 60.114 30.294 1.00 0.00 N ATOM 1455 CA GLU B 43 105.860 59.715 29.099 1.00 0.00 C ATOM 1456 C GLU B 43 104.601 60.579 28.988 1.00 0.00 C ATOM 1457 O GLU B 43 104.058 60.768 27.918 1.00 0.00 O ATOM 1458 CB GLU B 43 105.490 58.250 29.343 1.00 0.00 C ATOM 1459 CG GLU B 43 106.709 57.366 29.074 1.00 0.00 C ATOM 1460 CD GLU B 43 106.248 56.009 28.539 1.00 0.00 C ATOM 1461 OE1 GLU B 43 106.060 55.901 27.339 1.00 0.00 O ATOM 1462 OE2 GLU B 43 106.093 55.101 29.339 1.00 0.00 O ATOM 0 H GLU B 43 106.581 59.485 31.094 1.00 0.00 H new ATOM 0 HA GLU B 43 106.414 59.846 28.170 1.00 0.00 H new ATOM 0 HB2 GLU B 43 105.149 58.116 30.370 1.00 0.00 H new ATOM 0 HB3 GLU B 43 104.665 57.959 28.693 1.00 0.00 H new ATOM 0 HG2 GLU B 43 107.369 57.848 28.353 1.00 0.00 H new ATOM 0 HG3 GLU B 43 107.283 57.231 29.991 1.00 0.00 H new ATOM 1469 N ALA B 44 104.136 61.110 30.087 1.00 0.00 N ATOM 1470 CA ALA B 44 102.917 61.966 30.043 1.00 0.00 C ATOM 1471 C ALA B 44 103.243 63.318 29.414 1.00 0.00 C ATOM 1472 O ALA B 44 102.774 63.651 28.343 1.00 0.00 O ATOM 1473 CB ALA B 44 102.513 62.166 31.502 1.00 0.00 C ATOM 0 H ALA B 44 104.548 60.988 31.012 1.00 0.00 H new ATOM 0 HA ALA B 44 102.124 61.509 29.451 1.00 0.00 H new ATOM 0 HB1 ALA B 44 101.620 62.789 31.550 1.00 0.00 H new ATOM 0 HB2 ALA B 44 102.305 61.198 31.958 1.00 0.00 H new ATOM 0 HB3 ALA B 44 103.325 62.654 32.041 1.00 0.00 H new ATOM 1479 N ARG B 45 104.038 64.106 30.084 1.00 0.00 N ATOM 1480 CA ARG B 45 104.393 65.446 29.544 1.00 0.00 C ATOM 1481 C ARG B 45 104.889 65.326 28.100 1.00 0.00 C ATOM 1482 O ARG B 45 104.150 65.535 27.158 1.00 0.00 O ATOM 1483 CB ARG B 45 105.507 65.960 30.457 1.00 0.00 C ATOM 1484 CG ARG B 45 104.897 66.748 31.618 1.00 0.00 C ATOM 1485 CD ARG B 45 104.425 68.114 31.119 1.00 0.00 C ATOM 1486 NE ARG B 45 102.955 67.967 30.933 1.00 0.00 N ATOM 1487 CZ ARG B 45 102.235 68.996 30.577 1.00 0.00 C ATOM 1488 NH1 ARG B 45 102.465 70.167 31.104 1.00 0.00 N ATOM 1489 NH2 ARG B 45 101.286 68.853 29.692 1.00 0.00 N ATOM 0 H ARG B 45 104.458 63.878 30.985 1.00 0.00 H new ATOM 0 HA ARG B 45 103.538 66.122 29.526 1.00 0.00 H new ATOM 0 HB2 ARG B 45 106.092 65.124 30.840 1.00 0.00 H new ATOM 0 HB3 ARG B 45 106.190 66.595 29.892 1.00 0.00 H new ATOM 0 HG2 ARG B 45 104.059 66.196 32.045 1.00 0.00 H new ATOM 0 HG3 ARG B 45 105.633 66.874 32.412 1.00 0.00 H new ATOM 0 HD2 ARG B 45 104.656 68.899 31.839 1.00 0.00 H new ATOM 0 HD3 ARG B 45 104.916 68.385 30.184 1.00 0.00 H new ATOM 0 HE ARG B 45 102.510 67.062 31.084 1.00 0.00 H new ATOM 0 HH11 ARG B 45 103.208 70.279 31.794 1.00 0.00 H new ATOM 0 HH12 ARG B 45 101.902 70.971 30.826 1.00 0.00 H new ATOM 0 HH21 ARG B 45 101.107 67.938 29.279 1.00 0.00 H new ATOM 0 HH22 ARG B 45 100.723 69.657 29.413 1.00 0.00 H new ATOM 1503 N ARG B 46 106.137 64.987 27.917 1.00 0.00 N ATOM 1504 CA ARG B 46 106.677 64.851 26.534 1.00 0.00 C ATOM 1505 C ARG B 46 106.418 63.439 26.004 1.00 0.00 C ATOM 1506 O ARG B 46 105.456 63.269 25.273 1.00 0.00 O ATOM 1507 CB ARG B 46 108.179 65.105 26.669 1.00 0.00 C ATOM 1508 CG ARG B 46 108.531 66.442 26.014 1.00 0.00 C ATOM 1509 CD ARG B 46 109.989 66.791 26.317 1.00 0.00 C ATOM 1510 NE ARG B 46 110.763 66.228 25.177 1.00 0.00 N ATOM 1511 CZ ARG B 46 111.989 66.618 24.965 1.00 0.00 C ATOM 1512 NH1 ARG B 46 112.756 66.934 25.973 1.00 0.00 N ATOM 1513 NH2 ARG B 46 112.449 66.694 23.746 1.00 0.00 N ATOM 1514 OXT ARG B 46 107.184 62.550 26.341 1.00 0.00 O ATOM 0 H ARG B 46 106.805 64.799 28.665 1.00 0.00 H new ATOM 0 HA ARG B 46 106.207 65.544 25.836 1.00 0.00 H new ATOM 0 HB2 ARG B 46 108.463 65.117 27.721 1.00 0.00 H new ATOM 0 HB3 ARG B 46 108.739 64.298 26.197 1.00 0.00 H new ATOM 0 HG2 ARG B 46 108.377 66.383 24.937 1.00 0.00 H new ATOM 0 HG3 ARG B 46 107.873 67.226 26.388 1.00 0.00 H new ATOM 0 HD2 ARG B 46 110.129 67.869 26.395 1.00 0.00 H new ATOM 0 HD3 ARG B 46 110.310 66.358 27.264 1.00 0.00 H new ATOM 0 HE ARG B 46 110.334 65.537 24.561 1.00 0.00 H new ATOM 0 HH11 ARG B 46 112.396 66.876 26.926 1.00 0.00 H new ATOM 0 HH12 ARG B 46 113.715 67.239 25.808 1.00 0.00 H new ATOM 0 HH21 ARG B 46 111.849 66.448 22.958 1.00 0.00 H new ATOM 0 HH22 ARG B 46 113.408 66.999 23.581 1.00 0.00 H new TER 1528 ARG B 46