USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 Set 1.1: A 8 SER OG : rot 61:sc= 0.362 USER MOD Set 1.2: A 10 THR OG1 : rot 180:sc= 0.235 USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0551 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 68:sc= 1.14 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 1.16 K(o=1.2,f=-1.6) USER MOD Single : A 24 SER OG : rot 68:sc= 0.647 USER MOD Single : A 28 SER OG : rot 72:sc= 1.19 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 13:sc= 0.876 USER MOD Single : A 44 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.89) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0902 K(o=0.09,f=-4.4!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0336 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 1.14 K(o=1.1,f=-0.023) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 1:sc= 0.573 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.371 -14.880 -11.432 1.00 0.00 N ATOM 2 CA GLY A 1 11.782 -13.583 -11.025 1.00 0.00 C ATOM 3 C GLY A 1 10.909 -12.972 -12.116 1.00 0.00 C ATOM 4 O GLY A 1 10.513 -13.651 -13.067 1.00 0.00 O ATOM 0 H1 GLY A 1 12.168 -15.596 -10.706 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.959 -15.179 -12.339 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.400 -14.776 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.186 -13.725 -10.124 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.582 -12.887 -10.772 1.00 0.00 H new ATOM 10 N SER A 2 10.596 -11.680 -11.985 1.00 0.00 N ATOM 11 CA SER A 2 9.789 -10.891 -12.936 1.00 0.00 C ATOM 12 C SER A 2 10.167 -9.402 -12.909 1.00 0.00 C ATOM 13 O SER A 2 10.810 -8.924 -11.969 1.00 0.00 O ATOM 14 CB SER A 2 8.289 -11.065 -12.644 1.00 0.00 C ATOM 15 OG SER A 2 7.960 -10.659 -11.323 1.00 0.00 O ATOM 0 H SER A 2 10.907 -11.129 -11.185 1.00 0.00 H new ATOM 0 HA SER A 2 10.003 -11.268 -13.936 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.709 -10.481 -13.359 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.010 -12.109 -12.784 1.00 0.00 H new ATOM 0 HG SER A 2 6.999 -10.782 -11.173 1.00 0.00 H new ATOM 21 N GLU A 3 9.779 -8.656 -13.948 1.00 0.00 N ATOM 22 CA GLU A 3 10.106 -7.236 -14.140 1.00 0.00 C ATOM 23 C GLU A 3 9.616 -6.370 -12.959 1.00 0.00 C ATOM 24 O GLU A 3 8.413 -6.136 -12.799 1.00 0.00 O ATOM 25 CB GLU A 3 9.515 -6.717 -15.469 1.00 0.00 C ATOM 26 CG GLU A 3 9.941 -7.506 -16.720 1.00 0.00 C ATOM 27 CD GLU A 3 8.933 -8.618 -17.081 1.00 0.00 C ATOM 28 OE1 GLU A 3 8.938 -9.692 -16.430 1.00 0.00 O ATOM 29 OE2 GLU A 3 8.122 -8.424 -18.021 1.00 0.00 O ATOM 0 H GLU A 3 9.210 -9.035 -14.705 1.00 0.00 H new ATOM 0 HA GLU A 3 11.192 -7.154 -14.181 1.00 0.00 H new ATOM 0 HB2 GLU A 3 8.427 -6.736 -15.398 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.808 -5.675 -15.597 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.041 -6.821 -17.562 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.923 -7.949 -16.551 1.00 0.00 H new ATOM 36 N THR A 4 10.553 -5.894 -12.128 1.00 0.00 N ATOM 37 CA THR A 4 10.281 -5.232 -10.834 1.00 0.00 C ATOM 38 C THR A 4 11.142 -3.971 -10.657 1.00 0.00 C ATOM 39 O THR A 4 12.339 -3.980 -10.959 1.00 0.00 O ATOM 40 CB THR A 4 10.530 -6.214 -9.669 1.00 0.00 C ATOM 41 OG1 THR A 4 9.810 -7.416 -9.857 1.00 0.00 O ATOM 42 CG2 THR A 4 10.080 -5.666 -8.313 1.00 0.00 C ATOM 0 H THR A 4 11.549 -5.958 -12.338 1.00 0.00 H new ATOM 0 HA THR A 4 9.234 -4.928 -10.828 1.00 0.00 H new ATOM 0 HB THR A 4 11.608 -6.375 -9.667 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.184 -7.905 -10.619 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.283 -6.404 -7.537 1.00 0.00 H new ATOM 0 HG22 THR A 4 10.625 -4.748 -8.092 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.011 -5.455 -8.343 1.00 0.00 H new ATOM 50 N ARG A 5 10.539 -2.882 -10.154 1.00 0.00 N ATOM 51 CA ARG A 5 11.206 -1.590 -9.877 1.00 0.00 C ATOM 52 C ARG A 5 12.200 -1.689 -8.707 1.00 0.00 C ATOM 53 O ARG A 5 12.085 -2.559 -7.842 1.00 0.00 O ATOM 54 CB ARG A 5 10.146 -0.492 -9.620 1.00 0.00 C ATOM 55 CG ARG A 5 9.592 0.186 -10.889 1.00 0.00 C ATOM 56 CD ARG A 5 8.973 -0.748 -11.939 1.00 0.00 C ATOM 57 NE ARG A 5 7.834 -1.524 -11.398 1.00 0.00 N ATOM 58 CZ ARG A 5 7.420 -2.708 -11.812 1.00 0.00 C ATOM 59 NH1 ARG A 5 7.963 -3.310 -12.830 1.00 0.00 N ATOM 60 NH2 ARG A 5 6.470 -3.336 -11.183 1.00 0.00 N ATOM 0 H ARG A 5 9.546 -2.871 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 5 11.789 -1.319 -10.757 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.315 -0.932 -9.069 1.00 0.00 H new ATOM 0 HB3 ARG A 5 10.585 0.273 -8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.837 0.912 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.401 0.744 -11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.636 -0.159 -12.792 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.736 -1.434 -12.306 1.00 0.00 H new ATOM 0 HE ARG A 5 7.316 -1.101 -10.627 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.732 -2.868 -13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.620 -4.224 -13.124 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.037 -2.914 -10.361 1.00 0.00 H new ATOM 0 HH22 ARG A 5 6.158 -4.250 -11.512 1.00 0.00 H new ATOM 74 N THR A 6 13.173 -0.778 -8.679 1.00 0.00 N ATOM 75 CA THR A 6 14.204 -0.654 -7.627 1.00 0.00 C ATOM 76 C THR A 6 14.764 0.778 -7.580 1.00 0.00 C ATOM 77 O THR A 6 14.542 1.563 -8.507 1.00 0.00 O ATOM 78 CB THR A 6 15.319 -1.699 -7.839 1.00 0.00 C ATOM 79 OG1 THR A 6 16.148 -1.757 -6.698 1.00 0.00 O ATOM 80 CG2 THR A 6 16.207 -1.437 -9.058 1.00 0.00 C ATOM 0 H THR A 6 13.276 -0.076 -9.412 1.00 0.00 H new ATOM 0 HA THR A 6 13.744 -0.855 -6.659 1.00 0.00 H new ATOM 0 HB THR A 6 14.800 -2.641 -8.013 1.00 0.00 H new ATOM 0 HG1 THR A 6 16.852 -2.424 -6.839 1.00 0.00 H new ATOM 0 HG21 THR A 6 16.963 -2.218 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.596 -1.437 -9.960 1.00 0.00 H new ATOM 0 HG23 THR A 6 16.695 -0.468 -8.951 1.00 0.00 H new ATOM 88 N ILE A 7 15.492 1.132 -6.514 1.00 0.00 N ATOM 89 CA ILE A 7 16.145 2.443 -6.352 1.00 0.00 C ATOM 90 C ILE A 7 17.638 2.346 -6.685 1.00 0.00 C ATOM 91 O ILE A 7 18.360 1.482 -6.180 1.00 0.00 O ATOM 92 CB ILE A 7 15.913 3.034 -4.946 1.00 0.00 C ATOM 93 CG1 ILE A 7 14.415 3.127 -4.582 1.00 0.00 C ATOM 94 CG2 ILE A 7 16.580 4.414 -4.789 1.00 0.00 C ATOM 95 CD1 ILE A 7 13.549 4.017 -5.487 1.00 0.00 C ATOM 0 H ILE A 7 15.648 0.506 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 7 15.684 3.133 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 7 16.382 2.339 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.997 2.120 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 7 14.333 3.496 -3.560 1.00 0.00 H new ATOM 0 HG21 ILE A 7 16.393 4.796 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.654 4.319 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 7 16.165 5.104 -5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.518 4.003 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.927 5.039 -5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.586 3.641 -6.510 1.00 0.00 H new ATOM 107 N SER A 8 18.086 3.260 -7.546 1.00 0.00 N ATOM 108 CA SER A 8 19.455 3.303 -8.084 1.00 0.00 C ATOM 109 C SER A 8 20.546 3.410 -7.005 1.00 0.00 C ATOM 110 O SER A 8 20.410 4.127 -6.012 1.00 0.00 O ATOM 111 CB SER A 8 19.590 4.466 -9.078 1.00 0.00 C ATOM 112 OG SER A 8 20.919 4.567 -9.568 1.00 0.00 O ATOM 0 H SER A 8 17.495 4.012 -7.901 1.00 0.00 H new ATOM 0 HA SER A 8 19.614 2.349 -8.586 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.902 4.319 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.306 5.399 -8.592 1.00 0.00 H new ATOM 0 HG SER A 8 21.158 3.741 -10.039 1.00 0.00 H new ATOM 118 N SER A 9 21.662 2.717 -7.252 1.00 0.00 N ATOM 119 CA SER A 9 22.933 2.802 -6.516 1.00 0.00 C ATOM 120 C SER A 9 24.092 3.055 -7.500 1.00 0.00 C ATOM 121 O SER A 9 25.208 2.567 -7.317 1.00 0.00 O ATOM 122 CB SER A 9 23.168 1.521 -5.711 1.00 0.00 C ATOM 123 OG SER A 9 22.086 1.244 -4.834 1.00 0.00 O ATOM 0 H SER A 9 21.708 2.042 -8.015 1.00 0.00 H new ATOM 0 HA SER A 9 22.886 3.636 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 9 23.306 0.683 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 9 24.088 1.618 -5.134 1.00 0.00 H new ATOM 0 HG SER A 9 22.270 0.419 -4.338 1.00 0.00 H new ATOM 129 N THR A 10 23.799 3.778 -8.591 1.00 0.00 N ATOM 130 CA THR A 10 24.679 3.999 -9.751 1.00 0.00 C ATOM 131 C THR A 10 24.524 5.442 -10.242 1.00 0.00 C ATOM 132 O THR A 10 25.343 6.293 -9.911 1.00 0.00 O ATOM 133 CB THR A 10 24.382 2.986 -10.875 1.00 0.00 C ATOM 134 OG1 THR A 10 22.991 2.906 -11.121 1.00 0.00 O ATOM 135 CG2 THR A 10 24.858 1.576 -10.541 1.00 0.00 C ATOM 0 H THR A 10 22.899 4.247 -8.695 1.00 0.00 H new ATOM 0 HA THR A 10 25.714 3.842 -9.447 1.00 0.00 H new ATOM 0 HB THR A 10 24.922 3.352 -11.748 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.822 2.260 -11.838 1.00 0.00 H new ATOM 0 HG21 THR A 10 24.622 0.907 -11.368 1.00 0.00 H new ATOM 0 HG22 THR A 10 25.936 1.585 -10.378 1.00 0.00 H new ATOM 0 HG23 THR A 10 24.357 1.227 -9.638 1.00 0.00 H new ATOM 143 N ALA A 11 23.413 5.750 -10.922 1.00 0.00 N ATOM 144 CA ALA A 11 23.030 7.098 -11.353 1.00 0.00 C ATOM 145 C ALA A 11 22.733 8.017 -10.154 1.00 0.00 C ATOM 146 O ALA A 11 23.252 9.129 -10.076 1.00 0.00 O ATOM 147 CB ALA A 11 21.824 6.979 -12.296 1.00 0.00 C ATOM 0 H ALA A 11 22.732 5.042 -11.196 1.00 0.00 H new ATOM 0 HA ALA A 11 23.861 7.562 -11.885 1.00 0.00 H new ATOM 0 HB1 ALA A 11 21.523 7.972 -12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 11 22.097 6.374 -13.161 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.995 6.506 -11.769 1.00 0.00 H new ATOM 153 N GLN A 12 21.971 7.527 -9.169 1.00 0.00 N ATOM 154 CA GLN A 12 21.726 8.247 -7.910 1.00 0.00 C ATOM 155 C GLN A 12 22.999 8.363 -7.049 1.00 0.00 C ATOM 156 O GLN A 12 23.197 9.370 -6.371 1.00 0.00 O ATOM 157 CB GLN A 12 20.572 7.541 -7.176 1.00 0.00 C ATOM 158 CG GLN A 12 20.230 8.093 -5.782 1.00 0.00 C ATOM 159 CD GLN A 12 19.929 9.589 -5.721 1.00 0.00 C ATOM 160 OE1 GLN A 12 19.530 10.239 -6.679 1.00 0.00 O ATOM 161 NE2 GLN A 12 20.088 10.182 -4.561 1.00 0.00 N ATOM 0 H GLN A 12 21.506 6.621 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 12 21.440 9.277 -8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 12 19.680 7.601 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 12 20.822 6.485 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 12 19.366 7.551 -5.398 1.00 0.00 H new ATOM 0 HG3 GLN A 12 21.063 7.881 -5.112 1.00 0.00 H new ATOM 0 HE21 GLN A 12 20.420 9.649 -3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 12 19.880 11.176 -4.463 1.00 0.00 H new ATOM 170 N GLU A 13 23.891 7.367 -7.099 1.00 0.00 N ATOM 171 CA GLU A 13 25.140 7.363 -6.322 1.00 0.00 C ATOM 172 C GLU A 13 26.162 8.376 -6.876 1.00 0.00 C ATOM 173 O GLU A 13 26.652 9.204 -6.109 1.00 0.00 O ATOM 174 CB GLU A 13 25.645 5.914 -6.187 1.00 0.00 C ATOM 175 CG GLU A 13 26.906 5.741 -5.323 1.00 0.00 C ATOM 176 CD GLU A 13 28.255 5.867 -6.069 1.00 0.00 C ATOM 177 OE1 GLU A 13 28.290 5.991 -7.316 1.00 0.00 O ATOM 178 OE2 GLU A 13 29.311 5.797 -5.392 1.00 0.00 O ATOM 0 H GLU A 13 23.768 6.538 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 13 24.961 7.719 -5.308 1.00 0.00 H new ATOM 0 HB2 GLU A 13 24.846 5.305 -5.763 1.00 0.00 H new ATOM 0 HB3 GLU A 13 25.849 5.522 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 13 26.882 6.484 -4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 13 26.866 4.761 -4.847 1.00 0.00 H new ATOM 185 N ARG A 14 26.402 8.411 -8.199 1.00 0.00 N ATOM 186 CA ARG A 14 27.298 9.424 -8.803 1.00 0.00 C ATOM 187 C ARG A 14 26.817 10.843 -8.490 1.00 0.00 C ATOM 188 O ARG A 14 27.627 11.675 -8.082 1.00 0.00 O ATOM 189 CB ARG A 14 27.566 9.224 -10.311 1.00 0.00 C ATOM 190 CG ARG A 14 26.356 9.300 -11.263 1.00 0.00 C ATOM 191 CD ARG A 14 26.701 9.887 -12.641 1.00 0.00 C ATOM 192 NE ARG A 14 26.839 11.357 -12.587 1.00 0.00 N ATOM 193 CZ ARG A 14 26.932 12.196 -13.598 1.00 0.00 C ATOM 194 NH1 ARG A 14 26.977 11.842 -14.847 1.00 0.00 N ATOM 195 NH2 ARG A 14 26.987 13.467 -13.384 1.00 0.00 N ATOM 0 H ARG A 14 25.994 7.758 -8.868 1.00 0.00 H new ATOM 0 HA ARG A 14 28.268 9.276 -8.329 1.00 0.00 H new ATOM 0 HB2 ARG A 14 28.291 9.975 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 14 28.038 8.250 -10.443 1.00 0.00 H new ATOM 0 HG2 ARG A 14 25.943 8.300 -11.395 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.577 9.908 -10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 14 27.630 9.447 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 25.923 9.620 -13.356 1.00 0.00 H new ATOM 0 HE ARG A 14 26.865 11.772 -11.655 1.00 0.00 H new ATOM 0 HH11 ARG A 14 26.940 10.854 -15.099 1.00 0.00 H new ATOM 0 HH12 ARG A 14 27.049 12.552 -15.576 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.959 13.825 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.059 14.114 -14.169 1.00 0.00 H new ATOM 209 N VAL A 15 25.495 11.051 -8.563 1.00 0.00 N ATOM 210 CA VAL A 15 24.791 12.303 -8.247 1.00 0.00 C ATOM 211 C VAL A 15 25.005 12.751 -6.798 1.00 0.00 C ATOM 212 O VAL A 15 25.040 13.951 -6.527 1.00 0.00 O ATOM 213 CB VAL A 15 23.303 12.164 -8.635 1.00 0.00 C ATOM 214 CG1 VAL A 15 22.373 13.133 -7.921 1.00 0.00 C ATOM 215 CG2 VAL A 15 23.142 12.378 -10.143 1.00 0.00 C ATOM 0 H VAL A 15 24.855 10.314 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 15 25.220 13.109 -8.843 1.00 0.00 H new ATOM 0 HB VAL A 15 23.016 11.158 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 15 21.348 12.966 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 15 22.436 12.972 -6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 15 22.667 14.157 -8.153 1.00 0.00 H new ATOM 0 HG21 VAL A 15 22.091 12.279 -10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 15 23.493 13.375 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 15 23.727 11.632 -10.681 1.00 0.00 H new ATOM 225 N ASP A 16 25.228 11.824 -5.867 1.00 0.00 N ATOM 226 CA ASP A 16 25.571 12.177 -4.484 1.00 0.00 C ATOM 227 C ASP A 16 26.991 12.773 -4.356 1.00 0.00 C ATOM 228 O ASP A 16 27.189 13.758 -3.643 1.00 0.00 O ATOM 229 CB ASP A 16 25.381 10.954 -3.581 1.00 0.00 C ATOM 230 CG ASP A 16 25.489 11.338 -2.100 1.00 0.00 C ATOM 231 OD1 ASP A 16 24.526 11.947 -1.577 1.00 0.00 O ATOM 232 OD2 ASP A 16 26.513 11.004 -1.456 1.00 0.00 O ATOM 0 H ASP A 16 25.178 10.821 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 16 24.893 12.966 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 16 24.407 10.504 -3.773 1.00 0.00 H new ATOM 0 HB3 ASP A 16 26.132 10.201 -3.820 1.00 0.00 H new ATOM 237 N LEU A 17 27.981 12.232 -5.075 1.00 0.00 N ATOM 238 CA LEU A 17 29.396 12.598 -4.895 1.00 0.00 C ATOM 239 C LEU A 17 29.714 13.966 -5.512 1.00 0.00 C ATOM 240 O LEU A 17 30.440 14.769 -4.929 1.00 0.00 O ATOM 241 CB LEU A 17 30.307 11.495 -5.451 1.00 0.00 C ATOM 242 CG LEU A 17 30.538 10.362 -4.432 1.00 0.00 C ATOM 243 CD1 LEU A 17 29.416 9.327 -4.408 1.00 0.00 C ATOM 244 CD2 LEU A 17 31.845 9.657 -4.764 1.00 0.00 C ATOM 0 H LEU A 17 27.827 11.529 -5.798 1.00 0.00 H new ATOM 0 HA LEU A 17 29.589 12.689 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.863 11.082 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 31.267 11.927 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 17 30.568 10.826 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.645 8.559 -3.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.477 9.814 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.324 8.867 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 32.017 8.853 -4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.789 9.241 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 17 32.667 10.371 -4.712 1.00 0.00 H new ATOM 256 N GLU A 18 29.096 14.268 -6.649 1.00 0.00 N ATOM 257 CA GLU A 18 29.121 15.605 -7.256 1.00 0.00 C ATOM 258 C GLU A 18 28.425 16.668 -6.386 1.00 0.00 C ATOM 259 O GLU A 18 28.847 17.824 -6.384 1.00 0.00 O ATOM 260 CB GLU A 18 28.571 15.551 -8.685 1.00 0.00 C ATOM 261 CG GLU A 18 27.187 14.912 -8.809 1.00 0.00 C ATOM 262 CD GLU A 18 26.974 14.457 -10.270 1.00 0.00 C ATOM 263 OE1 GLU A 18 26.903 15.309 -11.182 1.00 0.00 O ATOM 264 OE2 GLU A 18 26.922 13.242 -10.561 1.00 0.00 O ATOM 0 H GLU A 18 28.557 13.588 -7.185 1.00 0.00 H new ATOM 0 HA GLU A 18 30.161 15.926 -7.313 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.526 16.565 -9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.271 14.995 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.103 14.061 -8.133 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.415 15.626 -8.520 1.00 0.00 H new ATOM 271 N ALA A 19 27.445 16.296 -5.552 1.00 0.00 N ATOM 272 CA ALA A 19 26.890 17.201 -4.545 1.00 0.00 C ATOM 273 C ALA A 19 27.898 17.502 -3.418 1.00 0.00 C ATOM 274 O ALA A 19 28.015 18.648 -2.991 1.00 0.00 O ATOM 275 CB ALA A 19 25.573 16.603 -4.037 1.00 0.00 C ATOM 0 H ALA A 19 27.020 15.369 -5.558 1.00 0.00 H new ATOM 0 HA ALA A 19 26.682 18.173 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.141 17.262 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 19 24.877 16.497 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 19 25.764 15.625 -3.596 1.00 0.00 H new ATOM 281 N VAL A 20 28.699 16.515 -2.991 1.00 0.00 N ATOM 282 CA VAL A 20 29.802 16.712 -2.018 1.00 0.00 C ATOM 283 C VAL A 20 30.937 17.553 -2.623 1.00 0.00 C ATOM 284 O VAL A 20 31.493 18.429 -1.954 1.00 0.00 O ATOM 285 CB VAL A 20 30.313 15.360 -1.470 1.00 0.00 C ATOM 286 CG1 VAL A 20 31.477 15.531 -0.484 1.00 0.00 C ATOM 287 CG2 VAL A 20 29.199 14.614 -0.724 1.00 0.00 C ATOM 0 H VAL A 20 28.606 15.550 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 20 29.405 17.272 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 20 30.649 14.797 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.799 14.552 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 20 32.308 16.027 -0.985 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.151 16.135 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.584 13.666 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.851 15.221 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.369 14.424 -1.405 1.00 0.00 H new ATOM 297 N ARG A 21 31.225 17.379 -3.918 1.00 0.00 N ATOM 298 CA ARG A 21 32.140 18.257 -4.662 1.00 0.00 C ATOM 299 C ARG A 21 31.665 19.710 -4.640 1.00 0.00 C ATOM 300 O ARG A 21 32.460 20.578 -4.309 1.00 0.00 O ATOM 301 CB ARG A 21 32.342 17.697 -6.082 1.00 0.00 C ATOM 302 CG ARG A 21 33.380 18.456 -6.927 1.00 0.00 C ATOM 303 CD ARG A 21 34.761 18.629 -6.274 1.00 0.00 C ATOM 304 NE ARG A 21 35.362 17.335 -5.883 1.00 0.00 N ATOM 305 CZ ARG A 21 36.455 17.157 -5.161 1.00 0.00 C ATOM 306 NH1 ARG A 21 37.162 18.159 -4.717 1.00 0.00 N ATOM 307 NH2 ARG A 21 36.865 15.957 -4.869 1.00 0.00 N ATOM 0 H ARG A 21 30.831 16.626 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 21 33.114 18.270 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 21 32.647 16.653 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 21 31.385 17.713 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.507 17.931 -7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 21 32.981 19.443 -7.161 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.427 19.142 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.667 19.265 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 21 34.884 16.493 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.877 19.116 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.000 17.986 -4.162 1.00 0.00 H new ATOM 0 HH21 ARG A 21 36.342 15.145 -5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 21 37.709 15.828 -4.311 1.00 0.00 H new ATOM 321 N LEU A 22 30.379 19.992 -4.854 1.00 0.00 N ATOM 322 CA LEU A 22 29.820 21.341 -4.715 1.00 0.00 C ATOM 323 C LEU A 22 29.770 21.820 -3.274 1.00 0.00 C ATOM 324 O LEU A 22 30.074 22.982 -3.075 1.00 0.00 O ATOM 325 CB LEU A 22 28.467 21.503 -5.408 1.00 0.00 C ATOM 326 CG LEU A 22 28.642 21.967 -6.864 1.00 0.00 C ATOM 327 CD1 LEU A 22 29.095 20.858 -7.811 1.00 0.00 C ATOM 328 CD2 LEU A 22 27.318 22.528 -7.340 1.00 0.00 C ATOM 0 H LEU A 22 29.692 19.290 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 22 30.521 21.992 -5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 22 27.929 20.555 -5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 22 27.860 22.226 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 22 29.432 22.718 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 22 29.197 21.260 -8.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 30.056 20.465 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 28.356 20.057 -7.813 1.00 0.00 H new ATOM 0 HD21 LEU A 22 27.416 22.865 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 22 26.553 21.754 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 22 27.032 23.370 -6.709 1.00 0.00 H new ATOM 340 N ALA A 23 29.508 20.989 -2.267 1.00 0.00 N ATOM 341 CA ALA A 23 29.685 21.421 -0.875 1.00 0.00 C ATOM 342 C ALA A 23 31.127 21.929 -0.648 1.00 0.00 C ATOM 343 O ALA A 23 31.335 22.961 -0.011 1.00 0.00 O ATOM 344 CB ALA A 23 29.309 20.266 0.052 1.00 0.00 C ATOM 0 H ALA A 23 29.179 20.030 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 23 29.027 22.260 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 23 29.437 20.576 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 23 28.269 19.987 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 23 29.953 19.411 -0.153 1.00 0.00 H new ATOM 350 N SER A 24 32.106 21.280 -1.289 1.00 0.00 N ATOM 351 CA SER A 24 33.508 21.720 -1.316 1.00 0.00 C ATOM 352 C SER A 24 33.728 23.011 -2.133 1.00 0.00 C ATOM 353 O SER A 24 34.479 23.878 -1.674 1.00 0.00 O ATOM 354 CB SER A 24 34.437 20.593 -1.801 1.00 0.00 C ATOM 355 OG SER A 24 34.160 19.355 -1.154 1.00 0.00 O ATOM 0 H SER A 24 31.945 20.420 -1.813 1.00 0.00 H new ATOM 0 HA SER A 24 33.767 21.964 -0.286 1.00 0.00 H new ATOM 0 HB2 SER A 24 34.326 20.471 -2.879 1.00 0.00 H new ATOM 0 HB3 SER A 24 35.474 20.874 -1.617 1.00 0.00 H new ATOM 0 HG SER A 24 33.283 19.025 -1.441 1.00 0.00 H new ATOM 361 N ILE A 25 33.066 23.212 -3.292 1.00 0.00 N ATOM 362 CA ILE A 25 33.235 24.486 -4.021 1.00 0.00 C ATOM 363 C ILE A 25 32.543 25.637 -3.266 1.00 0.00 C ATOM 364 O ILE A 25 33.056 26.751 -3.212 1.00 0.00 O ATOM 365 CB ILE A 25 32.775 24.426 -5.488 1.00 0.00 C ATOM 366 CG1 ILE A 25 33.045 23.108 -6.237 1.00 0.00 C ATOM 367 CG2 ILE A 25 33.469 25.567 -6.249 1.00 0.00 C ATOM 368 CD1 ILE A 25 34.456 22.518 -6.185 1.00 0.00 C ATOM 0 H ILE A 25 32.435 22.540 -3.729 1.00 0.00 H new ATOM 0 HA ILE A 25 34.307 24.678 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 25 31.689 24.514 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 25 32.357 22.358 -5.848 1.00 0.00 H new ATOM 0 HG13 ILE A 25 32.788 23.263 -7.285 1.00 0.00 H new ATOM 0 HG21 ILE A 25 33.160 25.548 -7.294 1.00 0.00 H new ATOM 0 HG22 ILE A 25 33.190 26.523 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 25 34.550 25.441 -6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.485 21.592 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.164 23.230 -6.609 1.00 0.00 H new ATOM 0 HD13 ILE A 25 34.726 22.311 -5.149 1.00 0.00 H new ATOM 380 N VAL A 26 31.414 25.355 -2.614 1.00 0.00 N ATOM 381 CA VAL A 26 30.677 26.276 -1.742 1.00 0.00 C ATOM 382 C VAL A 26 31.530 26.668 -0.547 1.00 0.00 C ATOM 383 O VAL A 26 31.730 27.856 -0.364 1.00 0.00 O ATOM 384 CB VAL A 26 29.347 25.650 -1.295 1.00 0.00 C ATOM 385 CG1 VAL A 26 28.663 26.426 -0.163 1.00 0.00 C ATOM 386 CG2 VAL A 26 28.380 25.518 -2.488 1.00 0.00 C ATOM 0 H VAL A 26 30.968 24.440 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 26 30.446 27.181 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 26 29.595 24.663 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 26 27.730 25.931 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 26 29.320 26.456 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 26 28.452 27.443 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 26 27.444 25.073 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 26 28.182 26.505 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 26 28.829 24.883 -3.252 1.00 0.00 H new ATOM 396 N ASP A 27 32.129 25.742 0.206 1.00 0.00 N ATOM 397 CA ASP A 27 33.094 26.091 1.260 1.00 0.00 C ATOM 398 C ASP A 27 34.247 26.958 0.744 1.00 0.00 C ATOM 399 O ASP A 27 34.613 27.943 1.381 1.00 0.00 O ATOM 400 CB ASP A 27 33.650 24.826 1.920 1.00 0.00 C ATOM 401 CG ASP A 27 32.588 23.998 2.653 1.00 0.00 C ATOM 402 OD1 ASP A 27 31.576 24.577 3.112 1.00 0.00 O ATOM 403 OD2 ASP A 27 32.829 22.785 2.870 1.00 0.00 O ATOM 0 H ASP A 27 31.964 24.740 0.107 1.00 0.00 H new ATOM 0 HA ASP A 27 32.549 26.681 1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.120 24.205 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.430 25.108 2.627 1.00 0.00 H new ATOM 408 N SER A 28 34.751 26.656 -0.455 1.00 0.00 N ATOM 409 CA SER A 28 35.798 27.459 -1.107 1.00 0.00 C ATOM 410 C SER A 28 35.326 28.895 -1.405 1.00 0.00 C ATOM 411 O SER A 28 36.127 29.828 -1.357 1.00 0.00 O ATOM 412 CB SER A 28 36.299 26.776 -2.388 1.00 0.00 C ATOM 413 OG SER A 28 36.727 25.444 -2.136 1.00 0.00 O ATOM 0 H SER A 28 34.448 25.851 -1.003 1.00 0.00 H new ATOM 0 HA SER A 28 36.629 27.529 -0.405 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.503 26.769 -3.133 1.00 0.00 H new ATOM 0 HB3 SER A 28 37.124 27.351 -2.809 1.00 0.00 H new ATOM 0 HG SER A 28 35.946 24.876 -1.969 1.00 0.00 H new ATOM 419 N ARG A 29 34.018 29.096 -1.627 1.00 0.00 N ATOM 420 CA ARG A 29 33.350 30.405 -1.766 1.00 0.00 C ATOM 421 C ARG A 29 32.990 31.052 -0.425 1.00 0.00 C ATOM 422 O ARG A 29 33.152 32.263 -0.292 1.00 0.00 O ATOM 423 CB ARG A 29 32.120 30.209 -2.670 1.00 0.00 C ATOM 424 CG ARG A 29 31.415 31.495 -3.107 1.00 0.00 C ATOM 425 CD ARG A 29 32.255 32.383 -4.024 1.00 0.00 C ATOM 426 NE ARG A 29 31.423 33.472 -4.582 1.00 0.00 N ATOM 427 CZ ARG A 29 31.690 34.208 -5.645 1.00 0.00 C ATOM 428 NH1 ARG A 29 32.825 34.115 -6.278 1.00 0.00 N ATOM 429 NH2 ARG A 29 30.823 35.062 -6.100 1.00 0.00 N ATOM 0 H ARG A 29 33.365 28.317 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 29 34.044 31.111 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 29 32.429 29.663 -3.561 1.00 0.00 H new ATOM 0 HB3 ARG A 29 31.401 29.581 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 29 30.489 31.234 -3.620 1.00 0.00 H new ATOM 0 HG3 ARG A 29 31.138 32.065 -2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.093 32.804 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 29 32.677 31.787 -4.833 1.00 0.00 H new ATOM 0 HE ARG A 29 30.551 33.676 -4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 29 33.537 33.460 -5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 33.002 34.697 -7.097 1.00 0.00 H new ATOM 0 HH21 ARG A 29 29.922 35.171 -5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 29 31.044 35.624 -6.922 1.00 0.00 H new ATOM 443 N LEU A 30 32.574 30.293 0.592 1.00 0.00 N ATOM 444 CA LEU A 30 32.308 30.829 1.939 1.00 0.00 C ATOM 445 C LEU A 30 33.596 31.331 2.620 1.00 0.00 C ATOM 446 O LEU A 30 33.589 32.370 3.278 1.00 0.00 O ATOM 447 CB LEU A 30 31.574 29.783 2.801 1.00 0.00 C ATOM 448 CG LEU A 30 30.205 29.340 2.249 1.00 0.00 C ATOM 449 CD1 LEU A 30 29.550 28.313 3.177 1.00 0.00 C ATOM 450 CD2 LEU A 30 29.230 30.509 2.065 1.00 0.00 C ATOM 0 H LEU A 30 32.411 29.290 0.510 1.00 0.00 H new ATOM 0 HA LEU A 30 31.655 31.695 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 30 32.211 28.904 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 30 31.432 30.192 3.802 1.00 0.00 H new ATOM 0 HG LEU A 30 30.408 28.901 1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 30 28.585 28.015 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 30 30.194 27.437 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 30 29.404 28.754 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 30 28.284 30.135 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 30 29.059 30.995 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 30 29.653 31.229 1.364 1.00 0.00 H new ATOM 462 N ILE A 31 34.717 30.643 2.385 1.00 0.00 N ATOM 463 CA ILE A 31 36.071 31.084 2.765 1.00 0.00 C ATOM 464 C ILE A 31 36.564 32.216 1.833 1.00 0.00 C ATOM 465 O ILE A 31 37.229 33.151 2.283 1.00 0.00 O ATOM 466 CB ILE A 31 37.020 29.856 2.761 1.00 0.00 C ATOM 467 CG1 ILE A 31 36.585 28.827 3.837 1.00 0.00 C ATOM 468 CG2 ILE A 31 38.487 30.263 3.000 1.00 0.00 C ATOM 469 CD1 ILE A 31 37.225 27.441 3.680 1.00 0.00 C ATOM 0 H ILE A 31 34.712 29.739 1.913 1.00 0.00 H new ATOM 0 HA ILE A 31 36.058 31.502 3.771 1.00 0.00 H new ATOM 0 HB ILE A 31 36.950 29.401 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 31 36.836 29.221 4.822 1.00 0.00 H new ATOM 0 HG13 ILE A 31 35.501 28.720 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 31 39.118 29.374 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 31 38.808 30.945 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 31 38.574 30.758 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 31 36.867 26.783 4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 31 36.954 27.023 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 31 38.309 27.531 3.745 1.00 0.00 H new ATOM 481 N GLY A 32 36.217 32.155 0.540 1.00 0.00 N ATOM 482 CA GLY A 32 36.738 33.020 -0.524 1.00 0.00 C ATOM 483 C GLY A 32 36.184 34.438 -0.522 1.00 0.00 C ATOM 484 O GLY A 32 36.910 35.401 -0.777 1.00 0.00 O ATOM 0 H GLY A 32 35.540 31.475 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 32 37.823 33.069 -0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 32 36.518 32.560 -1.487 1.00 0.00 H new ATOM 488 N THR A 33 34.889 34.562 -0.230 1.00 0.00 N ATOM 489 CA THR A 33 34.186 35.856 -0.112 1.00 0.00 C ATOM 490 C THR A 33 33.003 35.854 0.877 1.00 0.00 C ATOM 491 O THR A 33 32.708 36.892 1.473 1.00 0.00 O ATOM 492 CB THR A 33 33.745 36.323 -1.513 1.00 0.00 C ATOM 493 OG1 THR A 33 33.245 37.643 -1.500 1.00 0.00 O ATOM 494 CG2 THR A 33 32.665 35.423 -2.112 1.00 0.00 C ATOM 0 H THR A 33 34.283 33.759 -0.065 1.00 0.00 H new ATOM 0 HA THR A 33 34.897 36.563 0.316 1.00 0.00 H new ATOM 0 HB THR A 33 34.646 36.273 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 33 32.978 37.901 -2.407 1.00 0.00 H new ATOM 0 HG21 THR A 33 32.388 35.794 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 33 33.047 34.406 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 33 31.788 35.426 -1.464 1.00 0.00 H new ATOM 502 N GLY A 34 32.350 34.703 1.111 1.00 0.00 N ATOM 503 CA GLY A 34 31.284 34.560 2.120 1.00 0.00 C ATOM 504 C GLY A 34 29.846 34.553 1.598 1.00 0.00 C ATOM 505 O GLY A 34 28.902 34.646 2.381 1.00 0.00 O ATOM 0 H GLY A 34 32.547 33.841 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 34 31.453 33.632 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.382 35.374 2.838 1.00 0.00 H new ATOM 509 N SER A 35 29.643 34.433 0.286 1.00 0.00 N ATOM 510 CA SER A 35 28.331 34.243 -0.358 1.00 0.00 C ATOM 511 C SER A 35 28.485 33.555 -1.717 1.00 0.00 C ATOM 512 O SER A 35 29.415 33.846 -2.469 1.00 0.00 O ATOM 513 CB SER A 35 27.602 35.581 -0.530 1.00 0.00 C ATOM 514 OG SER A 35 27.152 36.049 0.730 1.00 0.00 O ATOM 0 H SER A 35 30.410 34.466 -0.386 1.00 0.00 H new ATOM 0 HA SER A 35 27.735 33.604 0.293 1.00 0.00 H new ATOM 0 HB2 SER A 35 28.270 36.314 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 35 26.756 35.460 -1.206 1.00 0.00 H new ATOM 0 HG SER A 35 27.581 35.532 1.443 1.00 0.00 H new ATOM 520 N VAL A 36 27.574 32.635 -2.027 1.00 0.00 N ATOM 521 CA VAL A 36 27.489 31.892 -3.298 1.00 0.00 C ATOM 522 C VAL A 36 26.422 32.531 -4.183 1.00 0.00 C ATOM 523 O VAL A 36 25.376 32.956 -3.686 1.00 0.00 O ATOM 524 CB VAL A 36 27.124 30.420 -3.021 1.00 0.00 C ATOM 525 CG1 VAL A 36 26.885 29.606 -4.295 1.00 0.00 C ATOM 526 CG2 VAL A 36 28.216 29.695 -2.233 1.00 0.00 C ATOM 0 H VAL A 36 26.837 32.369 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 36 28.453 31.928 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 36 26.201 30.479 -2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 36 26.632 28.580 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 36 26.064 30.047 -4.860 1.00 0.00 H new ATOM 0 HG13 VAL A 36 27.788 29.611 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 36 27.915 28.661 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.147 29.713 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 36 28.365 30.193 -1.275 1.00 0.00 H new ATOM 536 N ASP A 37 26.653 32.562 -5.497 1.00 0.00 N ATOM 537 CA ASP A 37 25.720 33.102 -6.494 1.00 0.00 C ATOM 538 C ASP A 37 25.459 32.087 -7.618 1.00 0.00 C ATOM 539 O ASP A 37 26.297 31.226 -7.888 1.00 0.00 O ATOM 540 CB ASP A 37 26.283 34.413 -7.074 1.00 0.00 C ATOM 541 CG ASP A 37 26.871 35.360 -6.010 1.00 0.00 C ATOM 542 OD1 ASP A 37 28.089 35.262 -5.712 1.00 0.00 O ATOM 543 OD2 ASP A 37 26.121 36.224 -5.495 1.00 0.00 O ATOM 0 H ASP A 37 27.514 32.204 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 37 24.768 33.305 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 37 27.058 34.174 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 37 25.489 34.933 -7.611 1.00 0.00 H new ATOM 548 N GLU A 38 24.328 32.197 -8.321 1.00 0.00 N ATOM 549 CA GLU A 38 23.986 31.293 -9.439 1.00 0.00 C ATOM 550 C GLU A 38 25.088 31.251 -10.512 1.00 0.00 C ATOM 551 O GLU A 38 25.440 30.184 -11.016 1.00 0.00 O ATOM 552 CB GLU A 38 22.650 31.741 -10.058 1.00 0.00 C ATOM 553 CG GLU A 38 21.907 30.586 -10.742 1.00 0.00 C ATOM 554 CD GLU A 38 20.774 31.086 -11.663 1.00 0.00 C ATOM 555 OE1 GLU A 38 19.988 31.979 -11.257 1.00 0.00 O ATOM 556 OE2 GLU A 38 20.670 30.590 -12.812 1.00 0.00 O ATOM 0 H GLU A 38 23.622 32.910 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 38 23.894 30.282 -9.043 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.017 32.167 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 38 22.836 32.531 -10.785 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.614 29.997 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.490 29.924 -9.983 1.00 0.00 H new ATOM 563 N ASP A 39 25.702 32.406 -10.785 1.00 0.00 N ATOM 564 CA ASP A 39 26.809 32.571 -11.730 1.00 0.00 C ATOM 565 C ASP A 39 28.118 31.903 -11.272 1.00 0.00 C ATOM 566 O ASP A 39 28.965 31.592 -12.108 1.00 0.00 O ATOM 567 CB ASP A 39 27.005 34.078 -11.948 1.00 0.00 C ATOM 568 CG ASP A 39 28.045 34.397 -13.030 1.00 0.00 C ATOM 569 OD1 ASP A 39 27.791 34.065 -14.213 1.00 0.00 O ATOM 570 OD2 ASP A 39 29.095 35.006 -12.712 1.00 0.00 O ATOM 0 H ASP A 39 25.432 33.282 -10.338 1.00 0.00 H new ATOM 0 HA ASP A 39 26.551 32.065 -12.660 1.00 0.00 H new ATOM 0 HB2 ASP A 39 26.051 34.526 -12.225 1.00 0.00 H new ATOM 0 HB3 ASP A 39 27.313 34.538 -11.009 1.00 0.00 H new ATOM 575 N PHE A 40 28.276 31.629 -9.970 1.00 0.00 N ATOM 576 CA PHE A 40 29.400 30.855 -9.445 1.00 0.00 C ATOM 577 C PHE A 40 29.168 29.337 -9.556 1.00 0.00 C ATOM 578 O PHE A 40 30.114 28.594 -9.823 1.00 0.00 O ATOM 579 CB PHE A 40 29.665 31.301 -7.999 1.00 0.00 C ATOM 580 CG PHE A 40 30.832 30.588 -7.354 1.00 0.00 C ATOM 581 CD1 PHE A 40 32.148 30.944 -7.699 1.00 0.00 C ATOM 582 CD2 PHE A 40 30.600 29.545 -6.440 1.00 0.00 C ATOM 583 CE1 PHE A 40 33.235 30.263 -7.124 1.00 0.00 C ATOM 584 CE2 PHE A 40 31.686 28.856 -5.877 1.00 0.00 C ATOM 585 CZ PHE A 40 33.003 29.223 -6.209 1.00 0.00 C ATOM 0 H PHE A 40 27.623 31.941 -9.251 1.00 0.00 H new ATOM 0 HA PHE A 40 30.285 31.052 -10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 40 29.853 32.375 -7.987 1.00 0.00 H new ATOM 0 HB3 PHE A 40 28.769 31.128 -7.403 1.00 0.00 H new ATOM 0 HD1 PHE A 40 32.324 31.741 -8.406 1.00 0.00 H new ATOM 0 HD2 PHE A 40 29.589 29.275 -6.172 1.00 0.00 H new ATOM 0 HE1 PHE A 40 34.246 30.539 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 40 31.510 28.043 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 40 33.837 28.704 -5.760 1.00 0.00 H new ATOM 595 N LEU A 41 27.924 28.858 -9.388 1.00 0.00 N ATOM 596 CA LEU A 41 27.596 27.418 -9.372 1.00 0.00 C ATOM 597 C LEU A 41 27.399 26.810 -10.762 1.00 0.00 C ATOM 598 O LEU A 41 27.765 25.651 -10.965 1.00 0.00 O ATOM 599 CB LEU A 41 26.348 27.181 -8.503 1.00 0.00 C ATOM 600 CG LEU A 41 26.568 27.337 -6.989 1.00 0.00 C ATOM 601 CD1 LEU A 41 25.298 26.877 -6.276 1.00 0.00 C ATOM 602 CD2 LEU A 41 27.745 26.516 -6.441 1.00 0.00 C ATOM 0 H LEU A 41 27.111 29.461 -9.259 1.00 0.00 H new ATOM 0 HA LEU A 41 28.460 26.908 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.570 27.877 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 41 25.974 26.176 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 41 26.801 28.386 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 25.429 26.978 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 24.457 27.491 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 25.101 25.833 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.834 26.680 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.571 25.457 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.666 26.827 -6.933 1.00 0.00 H new ATOM 614 N ARG A 42 26.891 27.575 -11.736 1.00 0.00 N ATOM 615 CA ARG A 42 26.745 27.110 -13.136 1.00 0.00 C ATOM 616 C ARG A 42 28.073 26.679 -13.784 1.00 0.00 C ATOM 617 O ARG A 42 28.083 25.894 -14.725 1.00 0.00 O ATOM 618 CB ARG A 42 26.035 28.184 -13.973 1.00 0.00 C ATOM 619 CG ARG A 42 26.865 29.468 -14.133 1.00 0.00 C ATOM 620 CD ARG A 42 26.152 30.497 -15.019 1.00 0.00 C ATOM 621 NE ARG A 42 27.064 31.600 -15.380 1.00 0.00 N ATOM 622 CZ ARG A 42 27.947 31.650 -16.358 1.00 0.00 C ATOM 623 NH1 ARG A 42 28.109 30.694 -17.231 1.00 0.00 N ATOM 624 NH2 ARG A 42 28.695 32.706 -16.447 1.00 0.00 N ATOM 0 H ARG A 42 26.569 28.531 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 42 26.132 26.209 -13.109 1.00 0.00 H new ATOM 0 HB2 ARG A 42 25.810 27.778 -14.959 1.00 0.00 H new ATOM 0 HB3 ARG A 42 25.082 28.430 -13.505 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.056 29.903 -13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.834 29.223 -14.567 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.785 30.012 -15.923 1.00 0.00 H new ATOM 0 HD3 ARG A 42 25.283 30.895 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 42 27.003 32.434 -14.796 1.00 0.00 H new ATOM 0 HH11 ARG A 42 27.536 29.852 -17.178 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.809 30.789 -17.967 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.589 33.464 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 42 29.389 32.778 -17.191 1.00 0.00 H new ATOM 638 N GLU A 43 29.197 27.163 -13.253 1.00 0.00 N ATOM 639 CA GLU A 43 30.552 26.763 -13.672 1.00 0.00 C ATOM 640 C GLU A 43 31.051 25.457 -13.026 1.00 0.00 C ATOM 641 O GLU A 43 32.133 24.978 -13.371 1.00 0.00 O ATOM 642 CB GLU A 43 31.543 27.909 -13.406 1.00 0.00 C ATOM 643 CG GLU A 43 31.065 29.229 -14.018 1.00 0.00 C ATOM 644 CD GLU A 43 32.233 30.207 -14.248 1.00 0.00 C ATOM 645 OE1 GLU A 43 32.852 30.676 -13.262 1.00 0.00 O ATOM 646 OE2 GLU A 43 32.547 30.510 -15.426 1.00 0.00 O ATOM 0 H GLU A 43 29.197 27.857 -12.506 1.00 0.00 H new ATOM 0 HA GLU A 43 30.493 26.558 -14.741 1.00 0.00 H new ATOM 0 HB2 GLU A 43 31.674 28.033 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 43 32.518 27.649 -13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 43 30.565 29.030 -14.966 1.00 0.00 H new ATOM 0 HG3 GLU A 43 30.329 29.690 -13.359 1.00 0.00 H new ATOM 653 N GLN A 44 30.297 24.863 -12.089 1.00 0.00 N ATOM 654 CA GLN A 44 30.710 23.682 -11.301 1.00 0.00 C ATOM 655 C GLN A 44 29.939 22.411 -11.699 1.00 0.00 C ATOM 656 O GLN A 44 30.548 21.372 -11.926 1.00 0.00 O ATOM 657 CB GLN A 44 30.566 23.958 -9.791 1.00 0.00 C ATOM 658 CG GLN A 44 31.004 25.361 -9.345 1.00 0.00 C ATOM 659 CD GLN A 44 32.410 25.782 -9.777 1.00 0.00 C ATOM 660 OE1 GLN A 44 33.307 24.982 -10.009 1.00 0.00 O ATOM 661 NE2 GLN A 44 32.651 27.069 -9.870 1.00 0.00 N ATOM 0 H GLN A 44 29.362 25.194 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 44 31.761 23.499 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.524 23.811 -9.508 1.00 0.00 H new ATOM 0 HB3 GLN A 44 31.152 23.219 -9.244 1.00 0.00 H new ATOM 0 HG2 GLN A 44 30.291 26.086 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 44 30.947 25.412 -8.258 1.00 0.00 H new ATOM 0 HE21 GLN A 44 31.909 27.742 -9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 44 33.580 27.396 -10.134 1.00 0.00 H new ATOM 670 N ILE A 45 28.610 22.495 -11.875 1.00 0.00 N ATOM 671 CA ILE A 45 27.712 21.408 -12.355 1.00 0.00 C ATOM 672 C ILE A 45 28.237 20.504 -13.488 1.00 0.00 C ATOM 673 O ILE A 45 28.020 19.300 -13.461 1.00 0.00 O ATOM 674 CB ILE A 45 26.435 22.019 -12.972 1.00 0.00 C ATOM 675 CG1 ILE A 45 26.572 23.395 -13.647 1.00 0.00 C ATOM 676 CG2 ILE A 45 25.272 22.023 -11.975 1.00 0.00 C ATOM 677 CD1 ILE A 45 25.371 23.724 -14.544 1.00 0.00 C ATOM 0 H ILE A 45 28.100 23.357 -11.681 1.00 0.00 H new ATOM 0 HA ILE A 45 27.583 20.810 -11.453 1.00 0.00 H new ATOM 0 HB ILE A 45 26.223 21.341 -13.799 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.673 24.165 -12.882 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.485 23.416 -14.243 1.00 0.00 H new ATOM 0 HG21 ILE A 45 24.391 22.460 -12.445 1.00 0.00 H new ATOM 0 HG22 ILE A 45 25.051 21.000 -11.670 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.546 22.611 -11.099 1.00 0.00 H new ATOM 0 HD11 ILE A 45 25.514 24.705 -14.998 1.00 0.00 H new ATOM 0 HD12 ILE A 45 25.285 22.971 -15.327 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.460 23.731 -13.945 1.00 0.00 H new ATOM 689 N ARG A 46 28.862 21.195 -14.447 1.00 0.00 N ATOM 690 CA ARG A 46 29.564 20.811 -15.716 1.00 0.00 C ATOM 691 C ARG A 46 28.978 19.661 -16.575 1.00 0.00 C ATOM 692 O ARG A 46 29.495 19.348 -17.646 1.00 0.00 O ATOM 693 CB ARG A 46 31.034 20.518 -15.383 1.00 0.00 C ATOM 694 CG ARG A 46 31.791 21.788 -14.968 1.00 0.00 C ATOM 695 CD ARG A 46 33.000 21.387 -14.132 1.00 0.00 C ATOM 696 NE ARG A 46 33.652 22.576 -13.553 1.00 0.00 N ATOM 697 CZ ARG A 46 34.809 22.631 -12.922 1.00 0.00 C ATOM 698 NH1 ARG A 46 35.577 21.587 -12.783 1.00 0.00 N ATOM 699 NH2 ARG A 46 35.209 23.758 -12.410 1.00 0.00 N ATOM 0 H ARG A 46 28.902 22.209 -14.348 1.00 0.00 H new ATOM 0 HA ARG A 46 29.422 21.675 -16.365 1.00 0.00 H new ATOM 0 HB2 ARG A 46 31.085 19.786 -14.577 1.00 0.00 H new ATOM 0 HB3 ARG A 46 31.521 20.072 -16.250 1.00 0.00 H new ATOM 0 HG2 ARG A 46 32.109 22.343 -15.850 1.00 0.00 H new ATOM 0 HG3 ARG A 46 31.138 22.447 -14.396 1.00 0.00 H new ATOM 0 HD2 ARG A 46 32.689 20.712 -13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 46 33.712 20.841 -14.752 1.00 0.00 H new ATOM 0 HE ARG A 46 33.150 23.458 -13.652 1.00 0.00 H new ATOM 0 HH11 ARG A 46 35.290 20.688 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 46 36.465 21.669 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 46 34.629 24.592 -12.498 1.00 0.00 H new ATOM 0 HH22 ARG A 46 36.103 23.807 -11.921 1.00 0.00 H new ATOM 713 N ASP A 47 27.922 19.032 -16.084 1.00 0.00 N ATOM 714 CA ASP A 47 27.284 17.796 -16.567 1.00 0.00 C ATOM 715 C ASP A 47 25.921 17.527 -15.895 1.00 0.00 C ATOM 716 O ASP A 47 25.000 17.023 -16.542 1.00 0.00 O ATOM 717 CB ASP A 47 28.216 16.609 -16.272 1.00 0.00 C ATOM 718 CG ASP A 47 27.651 15.280 -16.799 1.00 0.00 C ATOM 719 OD1 ASP A 47 27.596 15.091 -18.038 1.00 0.00 O ATOM 720 OD2 ASP A 47 27.291 14.413 -15.966 1.00 0.00 O ATOM 0 H ASP A 47 27.439 19.398 -15.264 1.00 0.00 H new ATOM 0 HA ASP A 47 27.109 17.916 -17.636 1.00 0.00 H new ATOM 0 HB2 ASP A 47 29.190 16.793 -16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 47 28.375 16.533 -15.196 1.00 0.00 H new ATOM 725 N ALA A 48 25.773 17.900 -14.618 1.00 0.00 N ATOM 726 CA ALA A 48 24.500 17.861 -13.902 1.00 0.00 C ATOM 727 C ALA A 48 23.581 19.007 -14.363 1.00 0.00 C ATOM 728 O ALA A 48 24.057 20.107 -14.664 1.00 0.00 O ATOM 729 CB ALA A 48 24.760 17.921 -12.391 1.00 0.00 C ATOM 0 H ALA A 48 26.547 18.242 -14.049 1.00 0.00 H new ATOM 0 HA ALA A 48 23.988 16.926 -14.127 1.00 0.00 H new ATOM 0 HB1 ALA A 48 23.810 17.892 -11.857 1.00 0.00 H new ATOM 0 HB2 ALA A 48 25.370 17.069 -12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 48 25.284 18.845 -12.148 1.00 0.00 H new ATOM 735 N ARG A 49 22.268 18.763 -14.396 1.00 0.00 N ATOM 736 CA ARG A 49 21.261 19.717 -14.882 1.00 0.00 C ATOM 737 C ARG A 49 21.146 20.939 -13.977 1.00 0.00 C ATOM 738 O ARG A 49 21.386 22.054 -14.444 1.00 0.00 O ATOM 739 CB ARG A 49 19.904 19.008 -15.089 1.00 0.00 C ATOM 740 CG ARG A 49 19.386 19.057 -16.536 1.00 0.00 C ATOM 741 CD ARG A 49 20.350 18.515 -17.608 1.00 0.00 C ATOM 742 NE ARG A 49 20.953 17.211 -17.251 1.00 0.00 N ATOM 743 CZ ARG A 49 21.474 16.314 -18.064 1.00 0.00 C ATOM 744 NH1 ARG A 49 21.461 16.447 -19.362 1.00 0.00 N ATOM 745 NH2 ARG A 49 22.022 15.251 -17.562 1.00 0.00 N ATOM 0 H ARG A 49 21.865 17.881 -14.080 1.00 0.00 H new ATOM 0 HA ARG A 49 21.590 20.093 -15.851 1.00 0.00 H new ATOM 0 HB2 ARG A 49 20.000 17.966 -14.784 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.163 19.465 -14.433 1.00 0.00 H new ATOM 0 HG2 ARG A 49 18.456 18.490 -16.589 1.00 0.00 H new ATOM 0 HG3 ARG A 49 19.143 20.091 -16.781 1.00 0.00 H new ATOM 0 HD2 ARG A 49 19.813 18.413 -18.551 1.00 0.00 H new ATOM 0 HD3 ARG A 49 21.145 19.242 -17.772 1.00 0.00 H new ATOM 0 HE ARG A 49 20.967 16.979 -16.258 1.00 0.00 H new ATOM 0 HH11 ARG A 49 21.035 17.271 -19.786 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.877 15.727 -19.953 1.00 0.00 H new ATOM 0 HH21 ARG A 49 22.045 15.118 -16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 49 22.429 14.548 -18.178 1.00 0.00 H new ATOM 759 N TYR A 50 20.804 20.749 -12.698 1.00 0.00 N ATOM 760 CA TYR A 50 20.459 21.851 -11.790 1.00 0.00 C ATOM 761 C TYR A 50 21.226 21.742 -10.458 1.00 0.00 C ATOM 762 O TYR A 50 21.215 20.681 -9.835 1.00 0.00 O ATOM 763 CB TYR A 50 18.927 21.827 -11.560 1.00 0.00 C ATOM 764 CG TYR A 50 18.069 21.465 -12.770 1.00 0.00 C ATOM 765 CD1 TYR A 50 18.223 22.163 -13.983 1.00 0.00 C ATOM 766 CD2 TYR A 50 17.104 20.442 -12.681 1.00 0.00 C ATOM 767 CE1 TYR A 50 17.419 21.857 -15.098 1.00 0.00 C ATOM 768 CE2 TYR A 50 16.298 20.125 -13.794 1.00 0.00 C ATOM 769 CZ TYR A 50 16.451 20.834 -15.003 1.00 0.00 C ATOM 770 OH TYR A 50 15.666 20.526 -16.071 1.00 0.00 O ATOM 0 H TYR A 50 20.758 19.828 -12.262 1.00 0.00 H new ATOM 0 HA TYR A 50 20.750 22.801 -12.238 1.00 0.00 H new ATOM 0 HB2 TYR A 50 18.711 21.116 -10.762 1.00 0.00 H new ATOM 0 HB3 TYR A 50 18.619 22.810 -11.203 1.00 0.00 H new ATOM 0 HD1 TYR A 50 18.967 22.942 -14.059 1.00 0.00 H new ATOM 0 HD2 TYR A 50 16.981 19.898 -11.756 1.00 0.00 H new ATOM 0 HE1 TYR A 50 17.543 22.403 -16.022 1.00 0.00 H new ATOM 0 HE2 TYR A 50 15.562 19.338 -13.720 1.00 0.00 H new ATOM 0 HH TYR A 50 15.057 19.797 -15.830 1.00 0.00 H new ATOM 780 N ALA A 51 21.886 22.815 -10.001 1.00 0.00 N ATOM 781 CA ALA A 51 22.458 22.902 -8.646 1.00 0.00 C ATOM 782 C ALA A 51 21.587 23.826 -7.776 1.00 0.00 C ATOM 783 O ALA A 51 21.043 24.811 -8.269 1.00 0.00 O ATOM 784 CB ALA A 51 23.923 23.348 -8.712 1.00 0.00 C ATOM 0 H ALA A 51 22.040 23.653 -10.562 1.00 0.00 H new ATOM 0 HA ALA A 51 22.456 21.918 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 51 24.331 23.407 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.497 22.627 -9.294 1.00 0.00 H new ATOM 0 HB3 ALA A 51 23.984 24.327 -9.186 1.00 0.00 H new ATOM 790 N VAL A 52 21.438 23.521 -6.489 1.00 0.00 N ATOM 791 CA VAL A 52 20.476 24.165 -5.577 1.00 0.00 C ATOM 792 C VAL A 52 21.110 24.376 -4.196 1.00 0.00 C ATOM 793 O VAL A 52 21.845 23.516 -3.711 1.00 0.00 O ATOM 794 CB VAL A 52 19.201 23.288 -5.524 1.00 0.00 C ATOM 795 CG1 VAL A 52 18.271 23.608 -4.351 1.00 0.00 C ATOM 796 CG2 VAL A 52 18.385 23.418 -6.816 1.00 0.00 C ATOM 0 H VAL A 52 21.996 22.799 -6.032 1.00 0.00 H new ATOM 0 HA VAL A 52 20.199 25.155 -5.938 1.00 0.00 H new ATOM 0 HB VAL A 52 19.574 22.272 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 52 17.402 22.951 -4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 52 18.804 23.456 -3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 52 17.944 24.646 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 52 17.496 22.791 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 52 18.087 24.457 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 52 18.992 23.098 -7.663 1.00 0.00 H new ATOM 806 N ILE A 53 20.834 25.520 -3.558 1.00 0.00 N ATOM 807 CA ILE A 53 21.515 25.974 -2.337 1.00 0.00 C ATOM 808 C ILE A 53 20.567 26.374 -1.207 1.00 0.00 C ATOM 809 O ILE A 53 19.536 27.004 -1.437 1.00 0.00 O ATOM 810 CB ILE A 53 22.495 27.123 -2.716 1.00 0.00 C ATOM 811 CG1 ILE A 53 23.938 26.603 -2.825 1.00 0.00 C ATOM 812 CG2 ILE A 53 22.458 28.386 -1.821 1.00 0.00 C ATOM 813 CD1 ILE A 53 24.494 26.024 -1.523 1.00 0.00 C ATOM 0 H ILE A 53 20.117 26.169 -3.882 1.00 0.00 H new ATOM 0 HA ILE A 53 22.070 25.130 -1.928 1.00 0.00 H new ATOM 0 HB ILE A 53 22.127 27.459 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.979 25.835 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.583 27.419 -3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 53 23.184 29.112 -2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 53 21.460 28.824 -1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 53 22.703 28.112 -0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 53 25.515 25.680 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 53 24.488 26.793 -0.751 1.00 0.00 H new ATOM 0 HD13 ILE A 53 23.875 25.186 -1.204 1.00 0.00 H new ATOM 825 N ARG A 54 20.949 26.024 0.025 1.00 0.00 N ATOM 826 CA ARG A 54 20.342 26.475 1.289 1.00 0.00 C ATOM 827 C ARG A 54 21.473 26.766 2.292 1.00 0.00 C ATOM 828 O ARG A 54 21.899 25.881 3.030 1.00 0.00 O ATOM 829 CB ARG A 54 19.345 25.427 1.838 1.00 0.00 C ATOM 830 CG ARG A 54 18.028 25.298 1.050 1.00 0.00 C ATOM 831 CD ARG A 54 18.077 24.230 -0.053 1.00 0.00 C ATOM 832 NE ARG A 54 16.785 24.109 -0.759 1.00 0.00 N ATOM 833 CZ ARG A 54 16.357 24.827 -1.782 1.00 0.00 C ATOM 834 NH1 ARG A 54 16.984 25.861 -2.253 1.00 0.00 N ATOM 835 NH2 ARG A 54 15.267 24.527 -2.418 1.00 0.00 N ATOM 0 H ARG A 54 21.730 25.386 0.180 1.00 0.00 H new ATOM 0 HA ARG A 54 19.767 27.385 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 54 19.837 24.454 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.108 25.681 2.871 1.00 0.00 H new ATOM 0 HG2 ARG A 54 17.221 25.057 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.786 26.262 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.860 24.482 -0.768 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.343 23.268 0.385 1.00 0.00 H new ATOM 0 HE ARG A 54 16.150 23.388 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.862 26.162 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.599 26.373 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.716 23.718 -2.132 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.961 25.100 -3.204 1.00 0.00 H new ATOM 849 N ILE A 55 21.996 27.995 2.289 1.00 0.00 N ATOM 850 CA ILE A 55 22.988 28.478 3.276 1.00 0.00 C ATOM 851 C ILE A 55 22.293 29.419 4.281 1.00 0.00 C ATOM 852 O ILE A 55 21.686 30.402 3.849 1.00 0.00 O ATOM 853 CB ILE A 55 24.177 29.185 2.580 1.00 0.00 C ATOM 854 CG1 ILE A 55 24.986 28.224 1.685 1.00 0.00 C ATOM 855 CG2 ILE A 55 25.130 29.796 3.628 1.00 0.00 C ATOM 856 CD1 ILE A 55 25.615 28.914 0.476 1.00 0.00 C ATOM 0 H ILE A 55 21.744 28.699 1.595 1.00 0.00 H new ATOM 0 HA ILE A 55 23.396 27.622 3.813 1.00 0.00 H new ATOM 0 HB ILE A 55 23.749 29.967 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 55 25.772 27.759 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.332 27.423 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.960 30.289 3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.589 30.525 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.516 29.007 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 55 26.170 28.183 -0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.831 29.355 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 55 26.293 29.697 0.816 1.00 0.00 H new ATOM 868 N PRO A 56 22.407 29.186 5.605 1.00 0.00 N ATOM 869 CA PRO A 56 21.882 30.106 6.614 1.00 0.00 C ATOM 870 C PRO A 56 22.468 31.526 6.505 1.00 0.00 C ATOM 871 O PRO A 56 23.680 31.714 6.377 1.00 0.00 O ATOM 872 CB PRO A 56 22.198 29.470 7.972 1.00 0.00 C ATOM 873 CG PRO A 56 22.306 27.979 7.652 1.00 0.00 C ATOM 874 CD PRO A 56 22.890 27.966 6.240 1.00 0.00 C ATOM 0 HA PRO A 56 20.810 30.244 6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.126 29.859 8.391 1.00 0.00 H new ATOM 0 HB3 PRO A 56 21.412 29.668 8.701 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.953 27.461 8.360 1.00 0.00 H new ATOM 0 HG3 PRO A 56 21.334 27.488 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.979 27.943 6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 56 22.566 27.083 5.690 1.00 0.00 H new ATOM 882 N GLY A 57 21.593 32.531 6.575 1.00 0.00 N ATOM 883 CA GLY A 57 21.946 33.958 6.591 1.00 0.00 C ATOM 884 C GLY A 57 22.177 34.615 5.222 1.00 0.00 C ATOM 885 O GLY A 57 22.474 35.811 5.179 1.00 0.00 O ATOM 0 H GLY A 57 20.587 32.373 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.152 34.502 7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 57 22.851 34.080 7.187 1.00 0.00 H new ATOM 889 N GLN A 58 22.027 33.881 4.109 1.00 0.00 N ATOM 890 CA GLN A 58 22.094 34.425 2.739 1.00 0.00 C ATOM 891 C GLN A 58 20.943 33.906 1.848 1.00 0.00 C ATOM 892 O GLN A 58 20.363 32.860 2.154 1.00 0.00 O ATOM 893 CB GLN A 58 23.497 34.155 2.162 1.00 0.00 C ATOM 894 CG GLN A 58 23.717 32.741 1.617 1.00 0.00 C ATOM 895 CD GLN A 58 25.178 32.537 1.218 1.00 0.00 C ATOM 896 OE1 GLN A 58 25.522 32.341 0.060 1.00 0.00 O ATOM 897 NE2 GLN A 58 26.098 32.591 2.161 1.00 0.00 N ATOM 0 H GLN A 58 21.853 32.876 4.133 1.00 0.00 H new ATOM 0 HA GLN A 58 21.946 35.505 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 58 23.686 34.869 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 58 24.235 34.346 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 58 23.435 32.007 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 58 23.072 32.574 0.754 1.00 0.00 H new ATOM 0 HE21 GLN A 58 25.826 32.754 3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 58 27.082 32.470 1.921 1.00 0.00 H new ATOM 906 N PRO A 59 20.586 34.605 0.751 1.00 0.00 N ATOM 907 CA PRO A 59 19.471 34.206 -0.107 1.00 0.00 C ATOM 908 C PRO A 59 19.744 32.895 -0.864 1.00 0.00 C ATOM 909 O PRO A 59 20.855 32.629 -1.329 1.00 0.00 O ATOM 910 CB PRO A 59 19.233 35.386 -1.056 1.00 0.00 C ATOM 911 CG PRO A 59 20.601 36.059 -1.133 1.00 0.00 C ATOM 912 CD PRO A 59 21.158 35.859 0.274 1.00 0.00 C ATOM 0 HA PRO A 59 18.583 33.990 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 59 18.894 35.051 -2.036 1.00 0.00 H new ATOM 0 HB3 PRO A 59 18.472 36.065 -0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.237 35.597 -1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.518 37.115 -1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 59 22.247 35.813 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.882 36.688 0.926 1.00 0.00 H new ATOM 920 N VAL A 60 18.690 32.087 -1.016 1.00 0.00 N ATOM 921 CA VAL A 60 18.647 30.870 -1.849 1.00 0.00 C ATOM 922 C VAL A 60 19.113 31.129 -3.292 1.00 0.00 C ATOM 923 O VAL A 60 18.733 32.112 -3.932 1.00 0.00 O ATOM 924 CB VAL A 60 17.227 30.249 -1.806 1.00 0.00 C ATOM 925 CG1 VAL A 60 16.086 31.249 -2.054 1.00 0.00 C ATOM 926 CG2 VAL A 60 17.045 29.111 -2.811 1.00 0.00 C ATOM 0 H VAL A 60 17.804 32.266 -0.544 1.00 0.00 H new ATOM 0 HA VAL A 60 19.353 30.153 -1.431 1.00 0.00 H new ATOM 0 HB VAL A 60 17.161 29.878 -0.783 1.00 0.00 H new ATOM 0 HG11 VAL A 60 15.129 30.729 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.114 32.029 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 60 16.205 31.700 -3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 60 16.032 28.716 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 60 17.212 29.487 -3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 60 17.761 28.318 -2.596 1.00 0.00 H new ATOM 936 N VAL A 61 19.915 30.191 -3.805 1.00 0.00 N ATOM 937 CA VAL A 61 20.377 30.107 -5.203 1.00 0.00 C ATOM 938 C VAL A 61 19.905 28.788 -5.814 1.00 0.00 C ATOM 939 O VAL A 61 20.059 27.736 -5.194 1.00 0.00 O ATOM 940 CB VAL A 61 21.913 30.234 -5.261 1.00 0.00 C ATOM 941 CG1 VAL A 61 22.492 29.906 -6.641 1.00 0.00 C ATOM 942 CG2 VAL A 61 22.350 31.648 -4.881 1.00 0.00 C ATOM 0 H VAL A 61 20.280 29.430 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 61 19.953 30.928 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 61 22.298 29.505 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.576 30.014 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.236 28.881 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 61 22.077 30.589 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.437 31.718 -4.928 1.00 0.00 H new ATOM 0 HG22 VAL A 61 21.910 32.364 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 61 22.015 31.872 -3.868 1.00 0.00 H new ATOM 952 N GLU A 62 19.359 28.825 -7.030 1.00 0.00 N ATOM 953 CA GLU A 62 18.926 27.640 -7.788 1.00 0.00 C ATOM 954 C GLU A 62 19.272 27.834 -9.277 1.00 0.00 C ATOM 955 O GLU A 62 18.784 28.760 -9.929 1.00 0.00 O ATOM 956 CB GLU A 62 17.421 27.365 -7.573 1.00 0.00 C ATOM 957 CG GLU A 62 17.096 27.157 -6.082 1.00 0.00 C ATOM 958 CD GLU A 62 15.677 26.654 -5.759 1.00 0.00 C ATOM 959 OE1 GLU A 62 14.784 26.648 -6.639 1.00 0.00 O ATOM 960 OE2 GLU A 62 15.462 26.276 -4.578 1.00 0.00 O ATOM 0 H GLU A 62 19.200 29.699 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 62 19.458 26.761 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.838 28.200 -7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 62 17.127 26.481 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.813 26.446 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.251 28.103 -5.562 1.00 0.00 H new ATOM 967 N VAL A 63 20.162 26.986 -9.799 1.00 0.00 N ATOM 968 CA VAL A 63 20.806 27.089 -11.120 1.00 0.00 C ATOM 969 C VAL A 63 20.031 26.301 -12.187 1.00 0.00 C ATOM 970 O VAL A 63 19.372 25.308 -11.874 1.00 0.00 O ATOM 971 CB VAL A 63 22.255 26.567 -11.009 1.00 0.00 C ATOM 972 CG1 VAL A 63 23.106 26.859 -12.245 1.00 0.00 C ATOM 973 CG2 VAL A 63 23.035 27.132 -9.815 1.00 0.00 C ATOM 0 H VAL A 63 20.473 26.161 -9.286 1.00 0.00 H new ATOM 0 HA VAL A 63 20.810 28.134 -11.431 1.00 0.00 H new ATOM 0 HB VAL A 63 22.104 25.494 -10.887 1.00 0.00 H new ATOM 0 HG11 VAL A 63 24.111 26.464 -12.096 1.00 0.00 H new ATOM 0 HG12 VAL A 63 22.655 26.385 -13.117 1.00 0.00 H new ATOM 0 HG13 VAL A 63 23.159 27.936 -12.404 1.00 0.00 H new ATOM 0 HG21 VAL A 63 24.042 26.716 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 63 23.091 28.217 -9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 63 22.526 26.865 -8.889 1.00 0.00 H new ATOM 983 N GLY A 64 20.156 26.677 -13.465 1.00 0.00 N ATOM 984 CA GLY A 64 19.607 25.910 -14.590 1.00 0.00 C ATOM 985 C GLY A 64 18.095 26.075 -14.758 1.00 0.00 C ATOM 986 O GLY A 64 17.640 27.020 -15.405 1.00 0.00 O ATOM 0 H GLY A 64 20.643 27.527 -13.750 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.103 26.222 -15.509 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.836 24.854 -14.446 1.00 0.00 H new ATOM 990 N THR A 65 17.295 25.140 -14.234 1.00 0.00 N ATOM 991 CA THR A 65 15.815 25.192 -14.261 1.00 0.00 C ATOM 992 C THR A 65 15.231 24.396 -13.084 1.00 0.00 C ATOM 993 O THR A 65 15.867 23.485 -12.564 1.00 0.00 O ATOM 994 CB THR A 65 15.256 24.650 -15.602 1.00 0.00 C ATOM 995 OG1 THR A 65 15.896 25.270 -16.700 1.00 0.00 O ATOM 996 CG2 THR A 65 13.760 24.903 -15.808 1.00 0.00 C ATOM 0 H THR A 65 17.657 24.307 -13.769 1.00 0.00 H new ATOM 0 HA THR A 65 15.516 26.236 -14.168 1.00 0.00 H new ATOM 0 HB THR A 65 15.441 23.577 -15.550 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.530 24.913 -17.536 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.451 24.493 -16.769 1.00 0.00 H new ATOM 0 HG22 THR A 65 13.196 24.421 -15.009 1.00 0.00 H new ATOM 0 HG23 THR A 65 13.567 25.976 -15.792 1.00 0.00 H new ATOM 1004 N LYS A 66 14.015 24.721 -12.636 1.00 0.00 N ATOM 1005 CA LYS A 66 13.312 23.972 -11.581 1.00 0.00 C ATOM 1006 C LYS A 66 12.855 22.586 -12.097 1.00 0.00 C ATOM 1007 O LYS A 66 12.187 22.523 -13.134 1.00 0.00 O ATOM 1008 CB LYS A 66 12.133 24.816 -11.062 1.00 0.00 C ATOM 1009 CG LYS A 66 11.403 24.156 -9.882 1.00 0.00 C ATOM 1010 CD LYS A 66 10.232 25.026 -9.406 1.00 0.00 C ATOM 1011 CE LYS A 66 9.489 24.330 -8.258 1.00 0.00 C ATOM 1012 NZ LYS A 66 8.327 25.133 -7.790 1.00 0.00 N ATOM 0 H LYS A 66 13.484 25.515 -12.995 1.00 0.00 H new ATOM 0 HA LYS A 66 13.992 23.784 -10.750 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.500 25.795 -10.754 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.425 24.982 -11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.034 23.175 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.101 23.998 -9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.601 25.997 -9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.547 25.211 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.145 23.350 -8.588 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.175 24.164 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.849 24.632 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.658 26.059 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.660 25.270 -8.576 1.00 0.00 H new ATOM 1026 N PRO A 67 13.177 21.482 -11.394 1.00 0.00 N ATOM 1027 CA PRO A 67 12.834 20.119 -11.798 1.00 0.00 C ATOM 1028 C PRO A 67 11.378 19.713 -11.515 1.00 0.00 C ATOM 1029 O PRO A 67 10.701 20.267 -10.647 1.00 0.00 O ATOM 1030 CB PRO A 67 13.787 19.220 -11.024 1.00 0.00 C ATOM 1031 CG PRO A 67 14.083 20.005 -9.758 1.00 0.00 C ATOM 1032 CD PRO A 67 14.031 21.454 -10.220 1.00 0.00 C ATOM 0 HA PRO A 67 12.930 20.033 -12.880 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.332 18.255 -10.799 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.696 19.019 -11.591 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.346 19.805 -8.980 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.059 19.750 -9.346 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.633 22.097 -9.435 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.029 21.821 -10.458 1.00 0.00 H new ATOM 1040 N THR A 68 10.925 18.688 -12.248 1.00 0.00 N ATOM 1041 CA THR A 68 9.495 18.293 -12.281 1.00 0.00 C ATOM 1042 C THR A 68 9.060 17.339 -11.154 1.00 0.00 C ATOM 1043 O THR A 68 7.908 17.378 -10.715 1.00 0.00 O ATOM 1044 CB THR A 68 9.147 17.743 -13.681 1.00 0.00 C ATOM 1045 OG1 THR A 68 7.756 17.568 -13.841 1.00 0.00 O ATOM 1046 CG2 THR A 68 9.816 16.401 -14.000 1.00 0.00 C ATOM 0 H THR A 68 11.527 18.108 -12.833 1.00 0.00 H new ATOM 0 HA THR A 68 8.916 19.196 -12.087 1.00 0.00 H new ATOM 0 HB THR A 68 9.528 18.498 -14.368 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.571 17.220 -14.738 1.00 0.00 H new ATOM 0 HG21 THR A 68 9.525 16.078 -14.999 1.00 0.00 H new ATOM 0 HG22 THR A 68 10.899 16.515 -13.957 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.500 15.655 -13.271 1.00 0.00 H new ATOM 1054 N GLY A 69 9.978 16.497 -10.662 1.00 0.00 N ATOM 1055 CA GLY A 69 9.726 15.448 -9.654 1.00 0.00 C ATOM 1056 C GLY A 69 10.332 14.097 -10.051 1.00 0.00 C ATOM 1057 O GLY A 69 10.881 13.380 -9.216 1.00 0.00 O ATOM 0 H GLY A 69 10.952 16.525 -10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.141 15.762 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.651 15.334 -9.514 1.00 0.00 H new ATOM 1061 N ASP A 70 10.316 13.797 -11.353 1.00 0.00 N ATOM 1062 CA ASP A 70 11.030 12.675 -11.979 1.00 0.00 C ATOM 1063 C ASP A 70 12.518 13.018 -12.167 1.00 0.00 C ATOM 1064 O ASP A 70 13.036 13.110 -13.283 1.00 0.00 O ATOM 1065 CB ASP A 70 10.332 12.219 -13.269 1.00 0.00 C ATOM 1066 CG ASP A 70 8.929 11.663 -12.994 1.00 0.00 C ATOM 1067 OD1 ASP A 70 8.850 10.482 -12.571 1.00 0.00 O ATOM 1068 OD2 ASP A 70 7.921 12.377 -13.214 1.00 0.00 O ATOM 0 H ASP A 70 9.786 14.349 -12.028 1.00 0.00 H new ATOM 0 HA ASP A 70 10.996 11.815 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.261 13.059 -13.960 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.936 11.455 -13.758 1.00 0.00 H new ATOM 1073 N VAL A 71 13.194 13.256 -11.039 1.00 0.00 N ATOM 1074 CA VAL A 71 14.602 13.661 -10.958 1.00 0.00 C ATOM 1075 C VAL A 71 15.365 12.923 -9.843 1.00 0.00 C ATOM 1076 O VAL A 71 14.789 12.457 -8.858 1.00 0.00 O ATOM 1077 CB VAL A 71 14.752 15.194 -10.823 1.00 0.00 C ATOM 1078 CG1 VAL A 71 14.209 15.947 -12.055 1.00 0.00 C ATOM 1079 CG2 VAL A 71 14.109 15.748 -9.545 1.00 0.00 C ATOM 0 H VAL A 71 12.759 13.169 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 71 15.060 13.366 -11.902 1.00 0.00 H new ATOM 0 HB VAL A 71 15.826 15.370 -10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.337 17.020 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 71 14.755 15.632 -12.944 1.00 0.00 H new ATOM 0 HG13 VAL A 71 13.150 15.722 -12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.247 16.829 -9.507 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.043 15.518 -9.545 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.579 15.291 -8.674 1.00 0.00 H new ATOM 1089 N LEU A 72 16.681 12.833 -10.015 1.00 0.00 N ATOM 1090 CA LEU A 72 17.679 12.255 -9.113 1.00 0.00 C ATOM 1091 C LEU A 72 18.226 13.345 -8.207 1.00 0.00 C ATOM 1092 O LEU A 72 18.670 14.372 -8.721 1.00 0.00 O ATOM 1093 CB LEU A 72 18.840 11.705 -9.961 1.00 0.00 C ATOM 1094 CG LEU A 72 18.418 10.507 -10.805 1.00 0.00 C ATOM 1095 CD1 LEU A 72 19.350 10.304 -11.997 1.00 0.00 C ATOM 1096 CD2 LEU A 72 18.446 9.245 -9.952 1.00 0.00 C ATOM 0 H LEU A 72 17.117 13.194 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 72 17.226 11.464 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 19.216 12.493 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 72 19.661 11.415 -9.306 1.00 0.00 H new ATOM 0 HG LEU A 72 17.411 10.702 -11.175 1.00 0.00 H new ATOM 0 HD11 LEU A 72 19.018 9.442 -12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 72 19.333 11.193 -12.628 1.00 0.00 H new ATOM 0 HD13 LEU A 72 20.365 10.133 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.144 8.390 -10.557 1.00 0.00 H new ATOM 0 HD22 LEU A 72 19.456 9.084 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 72 17.758 9.357 -9.114 1.00 0.00 H new ATOM 1108 N GLN A 73 18.224 13.145 -6.891 1.00 0.00 N ATOM 1109 CA GLN A 73 18.594 14.188 -5.923 1.00 0.00 C ATOM 1110 C GLN A 73 19.877 13.825 -5.162 1.00 0.00 C ATOM 1111 O GLN A 73 19.866 12.953 -4.294 1.00 0.00 O ATOM 1112 CB GLN A 73 17.422 14.408 -4.952 1.00 0.00 C ATOM 1113 CG GLN A 73 16.226 15.102 -5.623 1.00 0.00 C ATOM 1114 CD GLN A 73 15.190 15.583 -4.605 1.00 0.00 C ATOM 1115 OE1 GLN A 73 14.875 14.922 -3.622 1.00 0.00 O ATOM 1116 NE2 GLN A 73 14.625 16.756 -4.792 1.00 0.00 N ATOM 0 H GLN A 73 17.967 12.257 -6.460 1.00 0.00 H new ATOM 0 HA GLN A 73 18.799 15.112 -6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 73 17.102 13.447 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.761 15.009 -4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 73 16.582 15.952 -6.206 1.00 0.00 H new ATOM 0 HG3 GLN A 73 15.753 14.412 -6.322 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.876 17.319 -5.605 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.936 17.103 -4.124 1.00 0.00 H new ATOM 1125 N GLY A 74 20.979 14.513 -5.462 1.00 0.00 N ATOM 1126 CA GLY A 74 22.231 14.456 -4.696 1.00 0.00 C ATOM 1127 C GLY A 74 22.220 15.528 -3.616 1.00 0.00 C ATOM 1128 O GLY A 74 21.647 16.590 -3.845 1.00 0.00 O ATOM 0 H GLY A 74 21.030 15.142 -6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.347 13.471 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 74 23.082 14.604 -5.360 1.00 0.00 H new ATOM 1132 N ARG A 75 22.832 15.292 -2.452 1.00 0.00 N ATOM 1133 CA ARG A 75 22.694 16.172 -1.272 1.00 0.00 C ATOM 1134 C ARG A 75 23.919 16.121 -0.351 1.00 0.00 C ATOM 1135 O ARG A 75 24.401 15.044 -0.007 1.00 0.00 O ATOM 1136 CB ARG A 75 21.413 15.788 -0.503 1.00 0.00 C ATOM 1137 CG ARG A 75 21.033 16.825 0.568 1.00 0.00 C ATOM 1138 CD ARG A 75 19.750 16.405 1.297 1.00 0.00 C ATOM 1139 NE ARG A 75 19.383 17.366 2.358 1.00 0.00 N ATOM 1140 CZ ARG A 75 19.836 17.411 3.600 1.00 0.00 C ATOM 1141 NH1 ARG A 75 20.746 16.588 4.043 1.00 0.00 N ATOM 1142 NH2 ARG A 75 19.377 18.298 4.435 1.00 0.00 N ATOM 0 H ARG A 75 23.439 14.487 -2.294 1.00 0.00 H new ATOM 0 HA ARG A 75 22.622 17.201 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.589 15.681 -1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 75 21.556 14.817 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 75 21.847 16.930 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.890 17.800 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 75 18.933 16.326 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 75 19.887 15.416 1.734 1.00 0.00 H new ATOM 0 HE ARG A 75 18.700 18.079 2.102 1.00 0.00 H new ATOM 0 HH11 ARG A 75 21.135 15.877 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 75 21.069 16.656 5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 75 18.665 18.963 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 75 19.730 18.328 5.392 1.00 0.00 H new ATOM 1156 N ALA A 76 24.398 17.297 0.053 1.00 0.00 N ATOM 1157 CA ALA A 76 25.616 17.458 0.853 1.00 0.00 C ATOM 1158 C ALA A 76 25.557 18.637 1.844 1.00 0.00 C ATOM 1159 O ALA A 76 24.676 19.493 1.755 1.00 0.00 O ATOM 1160 CB ALA A 76 26.780 17.597 -0.133 1.00 0.00 C ATOM 0 H ALA A 76 23.943 18.182 -0.170 1.00 0.00 H new ATOM 0 HA ALA A 76 25.744 16.585 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.712 17.720 0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.841 16.702 -0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.617 18.468 -0.768 1.00 0.00 H new ATOM 1166 N THR A 77 26.529 18.691 2.761 1.00 0.00 N ATOM 1167 CA THR A 77 26.651 19.695 3.835 1.00 0.00 C ATOM 1168 C THR A 77 28.100 20.176 3.919 1.00 0.00 C ATOM 1169 O THR A 77 29.004 19.378 4.189 1.00 0.00 O ATOM 1170 CB THR A 77 26.224 19.083 5.185 1.00 0.00 C ATOM 1171 OG1 THR A 77 24.843 18.791 5.165 1.00 0.00 O ATOM 1172 CG2 THR A 77 26.492 19.979 6.398 1.00 0.00 C ATOM 0 H THR A 77 27.287 18.009 2.780 1.00 0.00 H new ATOM 0 HA THR A 77 26.000 20.540 3.611 1.00 0.00 H new ATOM 0 HB THR A 77 26.833 18.186 5.298 1.00 0.00 H new ATOM 0 HG1 THR A 77 24.579 18.401 6.024 1.00 0.00 H new ATOM 0 HG21 THR A 77 26.162 19.472 7.305 1.00 0.00 H new ATOM 0 HG22 THR A 77 27.560 20.188 6.467 1.00 0.00 H new ATOM 0 HG23 THR A 77 25.945 20.915 6.286 1.00 0.00 H new ATOM 1180 N GLY A 78 28.336 21.467 3.686 1.00 0.00 N ATOM 1181 CA GLY A 78 29.644 22.093 3.777 1.00 0.00 C ATOM 1182 C GLY A 78 30.111 22.297 5.218 1.00 0.00 C ATOM 1183 O GLY A 78 29.362 22.115 6.183 1.00 0.00 O ATOM 0 H GLY A 78 27.598 22.120 3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 78 30.372 21.478 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 78 29.615 23.058 3.271 1.00 0.00 H new ATOM 1187 N GLU A 79 31.364 22.714 5.347 1.00 0.00 N ATOM 1188 CA GLU A 79 32.022 23.077 6.580 1.00 0.00 C ATOM 1189 C GLU A 79 31.166 24.053 7.410 1.00 0.00 C ATOM 1190 O GLU A 79 30.982 23.823 8.608 1.00 0.00 O ATOM 1191 CB GLU A 79 33.373 23.675 6.172 1.00 0.00 C ATOM 1192 CG GLU A 79 34.295 23.957 7.348 1.00 0.00 C ATOM 1193 CD GLU A 79 34.830 22.667 7.997 1.00 0.00 C ATOM 1194 OE1 GLU A 79 35.867 22.134 7.530 1.00 0.00 O ATOM 1195 OE2 GLU A 79 34.226 22.177 8.981 1.00 0.00 O ATOM 0 H GLU A 79 31.979 22.811 4.539 1.00 0.00 H new ATOM 0 HA GLU A 79 32.167 22.214 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 79 33.872 22.990 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 79 33.200 24.603 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 79 35.134 24.566 7.011 1.00 0.00 H new ATOM 0 HG3 GLU A 79 33.758 24.541 8.095 1.00 0.00 H new ATOM 1202 N GLU A 80 30.555 25.084 6.798 1.00 0.00 N ATOM 1203 CA GLU A 80 29.869 26.131 7.578 1.00 0.00 C ATOM 1204 C GLU A 80 28.458 25.777 8.053 1.00 0.00 C ATOM 1205 O GLU A 80 27.769 26.590 8.676 1.00 0.00 O ATOM 1206 CB GLU A 80 29.806 27.401 6.728 1.00 0.00 C ATOM 1207 CG GLU A 80 31.160 27.887 6.207 1.00 0.00 C ATOM 1208 CD GLU A 80 32.166 28.185 7.335 1.00 0.00 C ATOM 1209 OE1 GLU A 80 31.944 29.141 8.117 1.00 0.00 O ATOM 1210 OE2 GLU A 80 33.188 27.466 7.445 1.00 0.00 O ATOM 0 H GLU A 80 30.522 25.214 5.787 1.00 0.00 H new ATOM 0 HA GLU A 80 30.455 26.261 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 80 29.148 27.221 5.878 1.00 0.00 H new ATOM 0 HB3 GLU A 80 29.353 28.196 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 80 31.580 27.132 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 80 31.012 28.788 5.612 1.00 0.00 H new ATOM 1217 N GLY A 81 28.025 24.560 7.753 1.00 0.00 N ATOM 1218 CA GLY A 81 26.777 23.982 8.249 1.00 0.00 C ATOM 1219 C GLY A 81 25.595 24.212 7.311 1.00 0.00 C ATOM 1220 O GLY A 81 24.440 24.219 7.740 1.00 0.00 O ATOM 0 H GLY A 81 28.543 23.929 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 81 26.913 22.911 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 81 26.548 24.411 9.224 1.00 0.00 H new ATOM 1224 N GLU A 82 25.889 24.446 6.031 1.00 0.00 N ATOM 1225 CA GLU A 82 24.914 24.721 4.976 1.00 0.00 C ATOM 1226 C GLU A 82 24.312 23.444 4.354 1.00 0.00 C ATOM 1227 O GLU A 82 24.420 22.352 4.915 1.00 0.00 O ATOM 1228 CB GLU A 82 25.596 25.666 3.974 1.00 0.00 C ATOM 1229 CG GLU A 82 26.797 25.088 3.207 1.00 0.00 C ATOM 1230 CD GLU A 82 26.336 24.184 2.057 1.00 0.00 C ATOM 1231 OE1 GLU A 82 25.651 24.701 1.150 1.00 0.00 O ATOM 1232 OE2 GLU A 82 26.606 22.961 2.113 1.00 0.00 O ATOM 0 H GLU A 82 26.850 24.449 5.688 1.00 0.00 H new ATOM 0 HA GLU A 82 24.031 25.212 5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 82 24.851 25.992 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 82 25.928 26.554 4.512 1.00 0.00 H new ATOM 0 HG2 GLU A 82 27.406 25.901 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 82 27.429 24.519 3.890 1.00 0.00 H new ATOM 1239 N THR A 83 23.623 23.553 3.216 1.00 0.00 N ATOM 1240 CA THR A 83 23.142 22.396 2.460 1.00 0.00 C ATOM 1241 C THR A 83 23.140 22.660 0.951 1.00 0.00 C ATOM 1242 O THR A 83 22.456 23.562 0.457 1.00 0.00 O ATOM 1243 CB THR A 83 21.753 21.981 2.955 1.00 0.00 C ATOM 1244 OG1 THR A 83 21.857 21.562 4.297 1.00 0.00 O ATOM 1245 CG2 THR A 83 21.168 20.813 2.170 1.00 0.00 C ATOM 0 H THR A 83 23.383 24.449 2.792 1.00 0.00 H new ATOM 0 HA THR A 83 23.833 21.571 2.633 1.00 0.00 H new ATOM 0 HB THR A 83 21.102 22.846 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 83 22.785 21.657 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.184 20.565 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 83 21.077 21.090 1.120 1.00 0.00 H new ATOM 0 HG23 THR A 83 21.825 19.948 2.261 1.00 0.00 H new ATOM 1253 N VAL A 84 23.844 21.793 0.222 1.00 0.00 N ATOM 1254 CA VAL A 84 23.860 21.687 -1.245 1.00 0.00 C ATOM 1255 C VAL A 84 22.914 20.585 -1.697 1.00 0.00 C ATOM 1256 O VAL A 84 22.857 19.518 -1.086 1.00 0.00 O ATOM 1257 CB VAL A 84 25.291 21.403 -1.755 1.00 0.00 C ATOM 1258 CG1 VAL A 84 25.372 20.953 -3.223 1.00 0.00 C ATOM 1259 CG2 VAL A 84 26.138 22.665 -1.640 1.00 0.00 C ATOM 0 H VAL A 84 24.455 21.104 0.661 1.00 0.00 H new ATOM 0 HA VAL A 84 23.527 22.636 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 84 25.652 20.586 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 84 26.413 20.777 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 84 24.803 20.033 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 84 24.957 21.730 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 84 27.146 22.461 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 84 25.692 23.458 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 84 26.182 22.980 -0.597 1.00 0.00 H new ATOM 1269 N LEU A 85 22.240 20.816 -2.821 1.00 0.00 N ATOM 1270 CA LEU A 85 21.449 19.831 -3.549 1.00 0.00 C ATOM 1271 C LEU A 85 21.832 19.880 -5.047 1.00 0.00 C ATOM 1272 O LEU A 85 22.126 20.944 -5.588 1.00 0.00 O ATOM 1273 CB LEU A 85 19.958 20.103 -3.262 1.00 0.00 C ATOM 1274 CG LEU A 85 18.975 19.064 -3.838 1.00 0.00 C ATOM 1275 CD1 LEU A 85 18.809 17.861 -2.913 1.00 0.00 C ATOM 1276 CD2 LEU A 85 17.590 19.675 -4.015 1.00 0.00 C ATOM 0 H LEU A 85 22.231 21.733 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 85 21.653 18.811 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 85 19.816 20.153 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.701 21.083 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 85 19.395 18.747 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.108 17.154 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.774 17.375 -2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 85 18.426 18.194 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 85 16.911 18.926 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.217 20.016 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.650 20.521 -4.700 1.00 0.00 H new ATOM 1288 N VAL A 86 21.824 18.725 -5.709 1.00 0.00 N ATOM 1289 CA VAL A 86 21.994 18.576 -7.171 1.00 0.00 C ATOM 1290 C VAL A 86 20.820 17.784 -7.715 1.00 0.00 C ATOM 1291 O VAL A 86 20.414 16.805 -7.092 1.00 0.00 O ATOM 1292 CB VAL A 86 23.327 17.913 -7.578 1.00 0.00 C ATOM 1293 CG1 VAL A 86 23.550 18.009 -9.089 1.00 0.00 C ATOM 1294 CG2 VAL A 86 24.522 18.561 -6.871 1.00 0.00 C ATOM 0 H VAL A 86 21.695 17.831 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 86 22.024 19.577 -7.601 1.00 0.00 H new ATOM 0 HB VAL A 86 23.256 16.867 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 86 24.496 17.534 -9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 86 22.736 17.504 -9.610 1.00 0.00 H new ATOM 0 HG13 VAL A 86 23.577 19.057 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 86 25.442 18.067 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 86 24.571 19.618 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 86 24.405 18.460 -5.792 1.00 0.00 H new ATOM 1304 N GLU A 87 20.264 18.195 -8.854 1.00 0.00 N ATOM 1305 CA GLU A 87 19.068 17.585 -9.434 1.00 0.00 C ATOM 1306 C GLU A 87 19.265 17.282 -10.932 1.00 0.00 C ATOM 1307 O GLU A 87 19.670 18.141 -11.719 1.00 0.00 O ATOM 1308 CB GLU A 87 17.811 18.414 -9.105 1.00 0.00 C ATOM 1309 CG GLU A 87 17.664 18.621 -7.586 1.00 0.00 C ATOM 1310 CD GLU A 87 16.278 19.151 -7.187 1.00 0.00 C ATOM 1311 OE1 GLU A 87 15.362 18.322 -6.969 1.00 0.00 O ATOM 1312 OE2 GLU A 87 16.111 20.389 -7.062 1.00 0.00 O ATOM 0 H GLU A 87 20.635 18.969 -9.406 1.00 0.00 H new ATOM 0 HA GLU A 87 18.901 16.613 -8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.870 19.382 -9.603 1.00 0.00 H new ATOM 0 HB3 GLU A 87 16.927 17.909 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.847 17.675 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.427 19.320 -7.244 1.00 0.00 H new ATOM 1319 N GLU A 88 19.016 16.023 -11.296 1.00 0.00 N ATOM 1320 CA GLU A 88 19.303 15.415 -12.608 1.00 0.00 C ATOM 1321 C GLU A 88 18.057 14.696 -13.163 1.00 0.00 C ATOM 1322 O GLU A 88 17.336 14.093 -12.374 1.00 0.00 O ATOM 1323 CB GLU A 88 20.444 14.397 -12.414 1.00 0.00 C ATOM 1324 CG GLU A 88 21.851 14.850 -12.785 1.00 0.00 C ATOM 1325 CD GLU A 88 22.009 15.006 -14.300 1.00 0.00 C ATOM 1326 OE1 GLU A 88 21.701 16.099 -14.818 1.00 0.00 O ATOM 1327 OE2 GLU A 88 22.419 14.053 -15.002 1.00 0.00 O ATOM 0 H GLU A 88 18.585 15.359 -10.652 1.00 0.00 H new ATOM 0 HA GLU A 88 19.588 16.190 -13.320 1.00 0.00 H new ATOM 0 HB2 GLU A 88 20.452 14.093 -11.367 1.00 0.00 H new ATOM 0 HB3 GLU A 88 20.209 13.510 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU A 88 22.070 15.799 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 88 22.577 14.126 -12.415 1.00 0.00 H new ATOM 1334 N PRO A 89 17.774 14.678 -14.480 1.00 0.00 N ATOM 1335 CA PRO A 89 16.617 13.963 -15.024 1.00 0.00 C ATOM 1336 C PRO A 89 16.716 12.439 -14.801 1.00 0.00 C ATOM 1337 O PRO A 89 17.758 11.825 -15.063 1.00 0.00 O ATOM 1338 CB PRO A 89 16.566 14.335 -16.509 1.00 0.00 C ATOM 1339 CG PRO A 89 18.020 14.670 -16.846 1.00 0.00 C ATOM 1340 CD PRO A 89 18.540 15.289 -15.552 1.00 0.00 C ATOM 0 HA PRO A 89 15.697 14.251 -14.515 1.00 0.00 H new ATOM 0 HB2 PRO A 89 16.193 13.510 -17.116 1.00 0.00 H new ATOM 0 HB3 PRO A 89 15.907 15.185 -16.687 1.00 0.00 H new ATOM 0 HG2 PRO A 89 18.585 13.780 -17.123 1.00 0.00 H new ATOM 0 HG3 PRO A 89 18.090 15.365 -17.682 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.606 15.097 -15.428 1.00 0.00 H new ATOM 0 HD3 PRO A 89 18.409 16.371 -15.557 1.00 0.00 H new ATOM 1348 N ARG A 90 15.615 11.834 -14.330 1.00 0.00 N ATOM 1349 CA ARG A 90 15.484 10.387 -14.077 1.00 0.00 C ATOM 1350 C ARG A 90 15.217 9.593 -15.366 1.00 0.00 C ATOM 1351 O ARG A 90 15.926 8.586 -15.597 1.00 0.00 O ATOM 1352 CB ARG A 90 14.414 10.149 -12.998 1.00 0.00 C ATOM 1353 CG ARG A 90 14.345 8.688 -12.533 1.00 0.00 C ATOM 1354 CD ARG A 90 13.250 8.511 -11.470 1.00 0.00 C ATOM 1355 NE ARG A 90 11.880 8.628 -12.016 1.00 0.00 N ATOM 1356 CZ ARG A 90 11.196 7.721 -12.688 1.00 0.00 C ATOM 1357 NH1 ARG A 90 11.686 6.551 -12.985 1.00 0.00 N ATOM 1358 NH2 ARG A 90 9.982 7.978 -13.074 1.00 0.00 N ATOM 1359 OXT ARG A 90 14.305 9.967 -16.142 1.00 0.00 O ATOM 0 H ARG A 90 14.765 12.352 -14.107 1.00 0.00 H new ATOM 0 HA ARG A 90 16.435 10.009 -13.701 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.623 10.788 -12.140 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.441 10.447 -13.388 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.141 8.039 -13.385 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.309 8.385 -12.124 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.364 7.534 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.387 9.259 -10.689 1.00 0.00 H new ATOM 0 HE ARG A 90 11.407 9.517 -11.854 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.633 6.307 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.122 5.879 -13.506 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.558 8.880 -12.858 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.453 7.277 -13.593 1.00 0.00 H new TER 1373 ARG A 90