USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 457 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 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 33 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Set 2.1: A 10 GLN : amide:sc= -1.51 X(o=-0.31,f=0.078) USER MOD Set 2.2: A 14 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ 169:sc= 0.513 (180deg=0.44) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.0272 (180deg=-0.226) USER MOD Single : A 7 MET CE :methyl -155:sc= -0.432 (180deg=-3.05) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.193 USER MOD Single : A 20 HIS : no HD1:sc= -0.395 X(o=-0.39,f=-0.39) USER MOD Single : A 22 SER OG : rot 72:sc= 0.378 USER MOD Single : A 24 MET CE :methyl -159:sc= 0 (180deg=-0.489) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00209 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.781 X(o=-0.78,f=-0.38) USER MOD Single : A 54 TYR OH : rot -147:sc= 1.26 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.038 USER MOD Single : A 58 TYR OH : rot -72:sc= 0.242 USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.211 4.325 0.645 1.00 14.40 N ATOM 2 CA GLY A 1 31.479 4.152 1.364 1.00 24.14 C ATOM 3 C GLY A 1 31.917 2.727 1.117 1.00 43.33 C ATOM 4 O GLY A 1 32.187 2.389 -0.030 1.00 52.12 O ATOM 0 H1 GLY A 1 29.770 5.223 0.929 1.00 14.40 H new ATOM 0 H2 GLY A 1 30.391 4.337 -0.379 1.00 14.40 H new ATOM 0 H3 GLY A 1 29.571 3.538 0.875 1.00 14.40 H new ATOM 0 HA2 GLY A 1 32.229 4.857 1.005 1.00 24.14 H new ATOM 0 HA3 GLY A 1 31.350 4.340 2.430 1.00 24.14 H new ATOM 8 N ASP A 2 31.842 1.864 2.133 1.00 13.53 N ATOM 9 CA ASP A 2 31.240 0.552 1.885 1.00 61.11 C ATOM 10 C ASP A 2 29.819 0.828 1.382 1.00 62.01 C ATOM 11 O ASP A 2 29.206 1.809 1.826 1.00 74.14 O ATOM 12 CB ASP A 2 31.220 -0.271 3.176 1.00 71.12 C ATOM 13 CG ASP A 2 30.426 -1.568 3.011 1.00 41.45 C ATOM 14 OD1 ASP A 2 30.612 -2.285 2.008 1.00 71.41 O ATOM 15 OD2 ASP A 2 29.623 -1.899 3.908 1.00 44.34 O ATOM 0 H ASP A 2 32.170 2.034 3.084 1.00 13.53 H new ATOM 0 HA ASP A 2 31.806 -0.024 1.153 1.00 61.11 H new ATOM 0 HB2 ASP A 2 32.242 -0.506 3.473 1.00 71.12 H new ATOM 0 HB3 ASP A 2 30.783 0.323 3.979 1.00 71.12 H new ATOM 19 N ASP A 3 29.326 0.074 0.403 1.00 34.10 N ATOM 20 CA ASP A 3 28.128 0.465 -0.335 1.00 44.34 C ATOM 21 C ASP A 3 27.279 -0.755 -0.658 1.00 64.22 C ATOM 22 O ASP A 3 27.569 -1.519 -1.583 1.00 42.24 O ATOM 23 CB ASP A 3 28.473 1.305 -1.575 1.00 74.35 C ATOM 24 CG ASP A 3 27.273 2.128 -2.059 1.00 44.31 C ATOM 25 OD1 ASP A 3 26.218 2.142 -1.385 1.00 72.14 O ATOM 26 OD2 ASP A 3 27.442 2.894 -3.038 1.00 3.24 O ATOM 0 H ASP A 3 29.737 -0.810 0.103 1.00 34.10 H new ATOM 0 HA ASP A 3 27.525 1.113 0.301 1.00 44.34 H new ATOM 0 HB2 ASP A 3 29.302 1.974 -1.342 1.00 74.35 H new ATOM 0 HB3 ASP A 3 28.810 0.648 -2.377 1.00 74.35 H new ATOM 30 N ARG A 4 26.267 -0.977 0.177 1.00 13.51 N ATOM 31 CA ARG A 4 25.366 -2.136 0.165 1.00 50.21 C ATOM 32 C ARG A 4 23.906 -1.677 0.227 1.00 63.24 C ATOM 33 O ARG A 4 23.019 -2.414 0.655 1.00 44.42 O ATOM 34 CB ARG A 4 25.750 -3.092 1.314 1.00 62.04 C ATOM 35 CG ARG A 4 25.586 -2.487 2.723 1.00 53.55 C ATOM 36 CD ARG A 4 26.042 -3.455 3.819 1.00 41.45 C ATOM 37 NE ARG A 4 27.494 -3.653 3.790 1.00 62.43 N ATOM 38 CZ ARG A 4 28.180 -4.783 3.961 1.00 21.23 C ATOM 39 NH1 ARG A 4 27.588 -5.924 4.300 1.00 50.23 N ATOM 40 NH2 ARG A 4 29.491 -4.762 3.784 1.00 73.11 N ATOM 0 H ARG A 4 26.038 -0.320 0.922 1.00 13.51 H new ATOM 0 HA ARG A 4 25.473 -2.689 -0.768 1.00 50.21 H new ATOM 0 HB2 ARG A 4 25.137 -3.991 1.244 1.00 62.04 H new ATOM 0 HB3 ARG A 4 26.787 -3.402 1.182 1.00 62.04 H new ATOM 0 HG2 ARG A 4 26.163 -1.565 2.791 1.00 53.55 H new ATOM 0 HG3 ARG A 4 24.541 -2.222 2.885 1.00 53.55 H new ATOM 0 HD2 ARG A 4 25.746 -3.068 4.794 1.00 41.45 H new ATOM 0 HD3 ARG A 4 25.540 -4.414 3.691 1.00 41.45 H new ATOM 0 HE ARG A 4 28.052 -2.817 3.616 1.00 62.43 H new ATOM 0 HH11 ARG A 4 26.578 -5.953 4.437 1.00 50.23 H new ATOM 0 HH12 ARG A 4 28.144 -6.770 4.423 1.00 50.23 H new ATOM 0 HH21 ARG A 4 29.956 -3.893 3.522 1.00 73.11 H new ATOM 0 HH22 ARG A 4 30.036 -5.615 3.909 1.00 73.11 H new ATOM 51 N LYS A 5 23.660 -0.406 -0.092 1.00 24.34 N ATOM 52 CA LYS A 5 22.415 0.286 0.179 1.00 23.34 C ATOM 53 C LYS A 5 21.296 -0.256 -0.704 1.00 24.04 C ATOM 54 O LYS A 5 21.165 0.162 -1.857 1.00 13.44 O ATOM 55 CB LYS A 5 22.659 1.782 -0.034 1.00 71.01 C ATOM 56 CG LYS A 5 21.495 2.647 0.462 1.00 23.23 C ATOM 57 CD LYS A 5 21.440 2.730 1.997 1.00 74.33 C ATOM 58 CE LYS A 5 20.761 4.034 2.424 1.00 41.24 C ATOM 59 NZ LYS A 5 21.645 5.199 2.209 1.00 54.24 N ATOM 0 H LYS A 5 24.349 0.183 -0.561 1.00 24.34 H new ATOM 0 HA LYS A 5 22.092 0.122 1.207 1.00 23.34 H new ATOM 0 HB2 LYS A 5 23.571 2.075 0.486 1.00 71.01 H new ATOM 0 HB3 LYS A 5 22.821 1.972 -1.095 1.00 71.01 H new ATOM 0 HG2 LYS A 5 21.591 3.651 0.050 1.00 23.23 H new ATOM 0 HG3 LYS A 5 20.556 2.237 0.089 1.00 23.23 H new ATOM 0 HD2 LYS A 5 20.892 1.877 2.397 1.00 74.33 H new ATOM 0 HD3 LYS A 5 22.448 2.683 2.409 1.00 74.33 H new ATOM 0 HE2 LYS A 5 19.838 4.167 1.860 1.00 41.24 H new ATOM 0 HE3 LYS A 5 20.485 3.974 3.477 1.00 41.24 H new ATOM 0 HZ1 LYS A 5 21.331 5.988 2.809 1.00 54.24 H new ATOM 0 HZ2 LYS A 5 22.622 4.943 2.456 1.00 54.24 H new ATOM 0 HZ3 LYS A 5 21.604 5.486 1.210 1.00 54.24 H new ATOM 69 N LEU A 6 20.480 -1.161 -0.170 1.00 51.35 N ATOM 70 CA LEU A 6 19.376 -1.796 -0.881 1.00 22.03 C ATOM 71 C LEU A 6 18.102 -1.639 -0.064 1.00 2.42 C ATOM 72 O LEU A 6 18.148 -1.330 1.133 1.00 50.25 O ATOM 73 CB LEU A 6 19.705 -3.276 -1.123 1.00 64.11 C ATOM 74 CG LEU A 6 20.945 -3.495 -2.009 1.00 21.34 C ATOM 75 CD1 LEU A 6 21.324 -4.972 -1.974 1.00 33.31 C ATOM 76 CD2 LEU A 6 20.697 -3.072 -3.457 1.00 1.24 C ATOM 0 H LEU A 6 20.571 -1.481 0.794 1.00 51.35 H new ATOM 0 HA LEU A 6 19.226 -1.320 -1.850 1.00 22.03 H new ATOM 0 HB2 LEU A 6 19.864 -3.766 -0.162 1.00 64.11 H new ATOM 0 HB3 LEU A 6 18.846 -3.759 -1.589 1.00 64.11 H new ATOM 0 HG LEU A 6 21.753 -2.878 -1.617 1.00 21.34 H new ATOM 0 HD11 LEU A 6 22.202 -5.137 -2.599 1.00 33.31 H new ATOM 0 HD12 LEU A 6 21.548 -5.266 -0.949 1.00 33.31 H new ATOM 0 HD13 LEU A 6 20.493 -5.570 -2.350 1.00 33.31 H new ATOM 0 HD21 LEU A 6 21.598 -3.244 -4.046 1.00 1.24 H new ATOM 0 HD22 LEU A 6 19.876 -3.657 -3.871 1.00 1.24 H new ATOM 0 HD23 LEU A 6 20.440 -2.013 -3.488 1.00 1.24 H new ATOM 87 N MET A 7 16.948 -1.844 -0.691 1.00 24.21 N ATOM 88 CA MET A 7 15.633 -1.556 -0.141 1.00 70.44 C ATOM 89 C MET A 7 14.655 -2.702 -0.419 1.00 74.05 C ATOM 90 O MET A 7 15.020 -3.677 -1.081 1.00 43.43 O ATOM 91 CB MET A 7 15.154 -0.229 -0.737 1.00 3.41 C ATOM 92 CG MET A 7 15.102 -0.186 -2.272 1.00 45.23 C ATOM 93 SD MET A 7 14.358 1.305 -2.977 1.00 34.02 S ATOM 94 CE MET A 7 12.760 1.295 -2.125 1.00 32.31 C ATOM 0 H MET A 7 16.904 -2.231 -1.634 1.00 24.21 H new ATOM 0 HA MET A 7 15.687 -1.465 0.944 1.00 70.44 H new ATOM 0 HB2 MET A 7 14.159 -0.012 -0.349 1.00 3.41 H new ATOM 0 HB3 MET A 7 15.812 0.567 -0.389 1.00 3.41 H new ATOM 0 HG2 MET A 7 16.117 -0.283 -2.657 1.00 45.23 H new ATOM 0 HG3 MET A 7 14.544 -1.053 -2.625 1.00 45.23 H new ATOM 0 HE1 MET A 7 12.026 1.836 -2.722 1.00 32.31 H new ATOM 0 HE2 MET A 7 12.428 0.266 -1.987 1.00 32.31 H new ATOM 0 HE3 MET A 7 12.863 1.777 -1.153 1.00 32.31 H new ATOM 102 N LYS A 8 13.420 -2.577 0.083 1.00 33.20 N ATOM 103 CA LYS A 8 12.305 -3.453 -0.283 1.00 30.24 C ATOM 104 C LYS A 8 11.985 -3.290 -1.767 1.00 2.41 C ATOM 105 O LYS A 8 12.281 -2.246 -2.360 1.00 2.42 O ATOM 106 CB LYS A 8 11.039 -3.075 0.492 1.00 53.32 C ATOM 107 CG LYS A 8 11.108 -3.162 2.020 1.00 33.24 C ATOM 108 CD LYS A 8 9.728 -2.750 2.556 1.00 73.03 C ATOM 109 CE LYS A 8 9.617 -2.478 4.056 1.00 11.31 C ATOM 110 NZ LYS A 8 9.762 -3.697 4.868 1.00 12.20 N ATOM 0 H LYS A 8 13.167 -1.858 0.761 1.00 33.20 H new ATOM 0 HA LYS A 8 12.600 -4.476 -0.051 1.00 30.24 H new ATOM 0 HB2 LYS A 8 10.769 -2.054 0.223 1.00 53.32 H new ATOM 0 HB3 LYS A 8 10.228 -3.720 0.152 1.00 53.32 H new ATOM 0 HG2 LYS A 8 11.359 -4.174 2.338 1.00 33.24 H new ATOM 0 HG3 LYS A 8 11.885 -2.504 2.409 1.00 33.24 H new ATOM 0 HD2 LYS A 8 9.413 -1.852 2.025 1.00 73.03 H new ATOM 0 HD3 LYS A 8 9.017 -3.536 2.301 1.00 73.03 H new ATOM 0 HE2 LYS A 8 10.382 -1.759 4.348 1.00 11.31 H new ATOM 0 HE3 LYS A 8 8.651 -2.019 4.267 1.00 11.31 H new ATOM 0 HZ1 LYS A 8 9.678 -3.455 5.876 1.00 12.20 H new ATOM 0 HZ2 LYS A 8 9.016 -4.375 4.612 1.00 12.20 H new ATOM 0 HZ3 LYS A 8 10.694 -4.124 4.691 1.00 12.20 H new ATOM 120 N THR A 9 11.311 -4.270 -2.351 1.00 14.41 N ATOM 121 CA THR A 9 10.939 -4.250 -3.761 1.00 74.15 C ATOM 122 C THR A 9 9.576 -3.584 -3.980 1.00 51.22 C ATOM 123 O THR A 9 8.875 -3.242 -3.022 1.00 52.41 O ATOM 124 CB THR A 9 10.975 -5.687 -4.295 1.00 73.04 C ATOM 125 OG1 THR A 9 10.066 -6.492 -3.579 1.00 33.14 O ATOM 126 CG2 THR A 9 12.388 -6.249 -4.191 1.00 4.13 C ATOM 0 H THR A 9 11.004 -5.108 -1.857 1.00 14.41 H new ATOM 0 HA THR A 9 11.654 -3.645 -4.318 1.00 74.15 H new ATOM 0 HB THR A 9 10.681 -5.684 -5.345 1.00 73.04 H new ATOM 0 HG1 THR A 9 10.095 -7.407 -3.928 1.00 33.14 H new ATOM 0 HG21 THR A 9 12.403 -7.270 -4.573 1.00 4.13 H new ATOM 0 HG22 THR A 9 13.069 -5.632 -4.778 1.00 4.13 H new ATOM 0 HG23 THR A 9 12.704 -6.247 -3.148 1.00 4.13 H new ATOM 134 N GLN A 10 9.189 -3.430 -5.252 1.00 34.00 N ATOM 135 CA GLN A 10 7.847 -3.044 -5.663 1.00 53.54 C ATOM 136 C GLN A 10 6.852 -4.064 -5.107 1.00 44.31 C ATOM 137 O GLN A 10 5.799 -3.694 -4.579 1.00 73.14 O ATOM 138 CB GLN A 10 7.816 -2.994 -7.206 1.00 52.41 C ATOM 139 CG GLN A 10 6.619 -2.258 -7.808 1.00 32.31 C ATOM 140 CD GLN A 10 5.290 -2.930 -7.515 1.00 73.05 C ATOM 141 OE1 GLN A 10 5.113 -4.127 -7.713 1.00 34.42 O ATOM 142 NE2 GLN A 10 4.316 -2.150 -7.082 1.00 65.14 N ATOM 0 H GLN A 10 9.822 -3.576 -6.039 1.00 34.00 H new ATOM 0 HA GLN A 10 7.573 -2.062 -5.277 1.00 53.54 H new ATOM 0 HB2 GLN A 10 8.730 -2.516 -7.557 1.00 52.41 H new ATOM 0 HB3 GLN A 10 7.824 -4.015 -7.587 1.00 52.41 H new ATOM 0 HG2 GLN A 10 6.596 -1.239 -7.421 1.00 32.31 H new ATOM 0 HG3 GLN A 10 6.751 -2.186 -8.888 1.00 32.31 H new ATOM 0 HE21 GLN A 10 4.489 -1.157 -6.925 1.00 65.14 H new ATOM 0 HE22 GLN A 10 3.391 -2.541 -6.904 1.00 65.14 H new ATOM 149 N GLU A 11 7.202 -5.346 -5.240 1.00 61.04 N ATOM 150 CA GLU A 11 6.422 -6.465 -4.771 1.00 72.13 C ATOM 151 C GLU A 11 6.170 -6.301 -3.279 1.00 45.34 C ATOM 152 O GLU A 11 5.016 -6.235 -2.878 1.00 73.03 O ATOM 153 CB GLU A 11 7.177 -7.760 -5.083 1.00 50.11 C ATOM 154 CG GLU A 11 6.223 -8.950 -5.175 1.00 32.43 C ATOM 155 CD GLU A 11 6.940 -10.288 -5.403 1.00 62.01 C ATOM 156 OE1 GLU A 11 8.179 -10.300 -5.623 1.00 21.22 O ATOM 157 OE2 GLU A 11 6.250 -11.340 -5.392 1.00 11.24 O ATOM 0 H GLU A 11 8.069 -5.630 -5.695 1.00 61.04 H new ATOM 0 HA GLU A 11 5.456 -6.507 -5.273 1.00 72.13 H new ATOM 0 HB2 GLU A 11 7.718 -7.651 -6.023 1.00 50.11 H new ATOM 0 HB3 GLU A 11 7.920 -7.946 -4.308 1.00 50.11 H new ATOM 0 HG2 GLU A 11 5.639 -9.011 -4.256 1.00 32.43 H new ATOM 0 HG3 GLU A 11 5.519 -8.780 -5.989 1.00 32.43 H new ATOM 162 N GLU A 12 7.229 -6.173 -2.473 1.00 70.03 N ATOM 163 CA GLU A 12 7.119 -6.133 -1.023 1.00 64.03 C ATOM 164 C GLU A 12 6.227 -4.985 -0.554 1.00 12.12 C ATOM 165 O GLU A 12 5.376 -5.186 0.305 1.00 64.44 O ATOM 166 CB GLU A 12 8.501 -6.034 -0.380 1.00 43.35 C ATOM 167 CG GLU A 12 9.263 -7.364 -0.414 1.00 31.42 C ATOM 168 CD GLU A 12 10.239 -7.424 0.751 1.00 63.04 C ATOM 169 OE1 GLU A 12 11.356 -6.868 0.640 1.00 32.44 O ATOM 170 OE2 GLU A 12 9.861 -7.974 1.812 1.00 34.01 O ATOM 0 H GLU A 12 8.187 -6.094 -2.815 1.00 70.03 H new ATOM 0 HA GLU A 12 6.651 -7.065 -0.706 1.00 64.03 H new ATOM 0 HB2 GLU A 12 9.084 -5.272 -0.897 1.00 43.35 H new ATOM 0 HB3 GLU A 12 8.394 -5.707 0.654 1.00 43.35 H new ATOM 0 HG2 GLU A 12 8.563 -8.197 -0.358 1.00 31.42 H new ATOM 0 HG3 GLU A 12 9.801 -7.463 -1.357 1.00 31.42 H new ATOM 175 N LEU A 13 6.359 -3.785 -1.122 1.00 71.14 N ATOM 176 CA LEU A 13 5.498 -2.662 -0.738 1.00 71.05 C ATOM 177 C LEU A 13 4.031 -3.011 -0.995 1.00 53.31 C ATOM 178 O LEU A 13 3.168 -2.698 -0.175 1.00 62.01 O ATOM 179 CB LEU A 13 5.899 -1.407 -1.548 1.00 54.52 C ATOM 180 CG LEU A 13 7.051 -0.534 -1.017 1.00 42.24 C ATOM 181 CD1 LEU A 13 8.009 -1.253 -0.072 1.00 22.13 C ATOM 182 CD2 LEU A 13 7.835 0.033 -2.206 1.00 65.24 C ATOM 0 H LEU A 13 7.046 -3.565 -1.843 1.00 71.14 H new ATOM 0 HA LEU A 13 5.623 -2.458 0.325 1.00 71.05 H new ATOM 0 HB2 LEU A 13 6.164 -1.731 -2.554 1.00 54.52 H new ATOM 0 HB3 LEU A 13 5.016 -0.774 -1.639 1.00 54.52 H new ATOM 0 HG LEU A 13 6.589 0.256 -0.425 1.00 42.24 H new ATOM 0 HD11 LEU A 13 8.788 -0.562 0.252 1.00 22.13 H new ATOM 0 HD12 LEU A 13 7.460 -1.614 0.798 1.00 22.13 H new ATOM 0 HD13 LEU A 13 8.465 -2.097 -0.589 1.00 22.13 H new ATOM 0 HD21 LEU A 13 8.653 0.653 -1.840 1.00 65.24 H new ATOM 0 HD22 LEU A 13 8.239 -0.787 -2.800 1.00 65.24 H new ATOM 0 HD23 LEU A 13 7.171 0.637 -2.825 1.00 65.24 H new ATOM 193 N THR A 14 3.747 -3.670 -2.117 1.00 44.42 N ATOM 194 CA THR A 14 2.409 -4.114 -2.471 1.00 54.14 C ATOM 195 C THR A 14 1.947 -5.237 -1.519 1.00 25.41 C ATOM 196 O THR A 14 0.797 -5.244 -1.081 1.00 64.14 O ATOM 197 CB THR A 14 2.411 -4.532 -3.958 1.00 1.21 C ATOM 198 OG1 THR A 14 3.035 -3.539 -4.765 1.00 33.12 O ATOM 199 CG2 THR A 14 0.994 -4.739 -4.492 1.00 74.35 C ATOM 0 H THR A 14 4.453 -3.912 -2.812 1.00 44.42 H new ATOM 0 HA THR A 14 1.685 -3.308 -2.352 1.00 54.14 H new ATOM 0 HB THR A 14 2.963 -5.470 -4.010 1.00 1.21 H new ATOM 0 HG1 THR A 14 4.008 -3.644 -4.718 1.00 33.12 H new ATOM 0 HG21 THR A 14 1.040 -5.032 -5.541 1.00 74.35 H new ATOM 0 HG22 THR A 14 0.500 -5.522 -3.918 1.00 74.35 H new ATOM 0 HG23 THR A 14 0.431 -3.810 -4.399 1.00 74.35 H new ATOM 207 N GLU A 15 2.831 -6.182 -1.188 1.00 3.23 N ATOM 208 CA GLU A 15 2.607 -7.328 -0.310 1.00 42.33 C ATOM 209 C GLU A 15 2.227 -6.900 1.100 1.00 21.24 C ATOM 210 O GLU A 15 1.316 -7.497 1.669 1.00 61.24 O ATOM 211 CB GLU A 15 3.884 -8.179 -0.240 1.00 14.21 C ATOM 212 CG GLU A 15 4.155 -9.009 -1.494 1.00 61.41 C ATOM 213 CD GLU A 15 3.304 -10.267 -1.464 1.00 4.41 C ATOM 214 OE1 GLU A 15 3.711 -11.258 -0.828 1.00 44.33 O ATOM 215 OE2 GLU A 15 2.197 -10.261 -2.051 1.00 31.24 O ATOM 0 H GLU A 15 3.784 -6.163 -1.551 1.00 3.23 H new ATOM 0 HA GLU A 15 1.781 -7.903 -0.727 1.00 42.33 H new ATOM 0 HB2 GLU A 15 4.735 -7.522 -0.062 1.00 14.21 H new ATOM 0 HB3 GLU A 15 3.814 -8.849 0.617 1.00 14.21 H new ATOM 0 HG2 GLU A 15 3.928 -8.425 -2.386 1.00 61.41 H new ATOM 0 HG3 GLU A 15 5.211 -9.273 -1.547 1.00 61.41 H new ATOM 220 N ILE A 16 2.907 -5.896 1.662 1.00 30.41 N ATOM 221 CA ILE A 16 2.644 -5.419 3.016 1.00 61.34 C ATOM 222 C ILE A 16 1.200 -4.923 3.074 1.00 74.35 C ATOM 223 O ILE A 16 0.410 -5.400 3.892 1.00 10.51 O ATOM 224 CB ILE A 16 3.656 -4.313 3.414 1.00 43.13 C ATOM 225 CG1 ILE A 16 5.122 -4.796 3.444 1.00 3.31 C ATOM 226 CG2 ILE A 16 3.315 -3.722 4.796 1.00 23.20 C ATOM 227 CD1 ILE A 16 6.148 -3.670 3.292 1.00 13.24 C ATOM 0 H ILE A 16 3.656 -5.393 1.187 1.00 30.41 H new ATOM 0 HA ILE A 16 2.772 -6.227 3.736 1.00 61.34 H new ATOM 0 HB ILE A 16 3.566 -3.555 2.636 1.00 43.13 H new ATOM 0 HG12 ILE A 16 5.304 -5.316 4.385 1.00 3.31 H new ATOM 0 HG13 ILE A 16 5.272 -5.522 2.645 1.00 3.31 H new ATOM 0 HG21 ILE A 16 4.040 -2.949 5.050 1.00 23.20 H new ATOM 0 HG22 ILE A 16 2.316 -3.287 4.769 1.00 23.20 H new ATOM 0 HG23 ILE A 16 3.347 -4.511 5.547 1.00 23.20 H new ATOM 0 HD11 ILE A 16 7.154 -4.088 3.323 1.00 13.24 H new ATOM 0 HD12 ILE A 16 5.994 -3.164 2.339 1.00 13.24 H new ATOM 0 HD13 ILE A 16 6.027 -2.955 4.106 1.00 13.24 H new ATOM 238 N VAL A 17 0.851 -4.000 2.174 1.00 31.33 N ATOM 239 CA VAL A 17 -0.480 -3.422 2.064 1.00 74.43 C ATOM 240 C VAL A 17 -1.528 -4.527 1.900 1.00 4.54 C ATOM 241 O VAL A 17 -2.599 -4.468 2.508 1.00 71.15 O ATOM 242 CB VAL A 17 -0.478 -2.424 0.887 1.00 42.15 C ATOM 243 CG1 VAL A 17 -1.888 -1.954 0.506 1.00 22.40 C ATOM 244 CG2 VAL A 17 0.390 -1.209 1.225 1.00 41.41 C ATOM 0 H VAL A 17 1.507 -3.628 1.487 1.00 31.33 H new ATOM 0 HA VAL A 17 -0.745 -2.882 2.973 1.00 74.43 H new ATOM 0 HB VAL A 17 -0.065 -2.953 0.028 1.00 42.15 H new ATOM 0 HG11 VAL A 17 -1.825 -1.254 -0.327 1.00 22.40 H new ATOM 0 HG12 VAL A 17 -2.491 -2.813 0.213 1.00 22.40 H new ATOM 0 HG13 VAL A 17 -2.350 -1.460 1.361 1.00 22.40 H new ATOM 0 HG21 VAL A 17 0.383 -0.512 0.387 1.00 41.41 H new ATOM 0 HG22 VAL A 17 -0.007 -0.714 2.111 1.00 41.41 H new ATOM 0 HG23 VAL A 17 1.412 -1.534 1.418 1.00 41.41 H new ATOM 254 N ARG A 18 -1.241 -5.529 1.067 1.00 65.12 N ATOM 255 CA ARG A 18 -2.170 -6.615 0.806 1.00 50.15 C ATOM 256 C ARG A 18 -2.393 -7.436 2.064 1.00 22.41 C ATOM 257 O ARG A 18 -3.527 -7.517 2.519 1.00 2.13 O ATOM 258 CB ARG A 18 -1.655 -7.454 -0.362 1.00 71.45 C ATOM 259 CG ARG A 18 -2.772 -8.339 -0.915 1.00 61.02 C ATOM 260 CD ARG A 18 -2.302 -9.039 -2.186 1.00 43.14 C ATOM 261 NE ARG A 18 -3.374 -9.888 -2.717 1.00 23.04 N ATOM 262 CZ ARG A 18 -3.445 -11.223 -2.664 1.00 43.44 C ATOM 263 NH1 ARG A 18 -2.419 -11.949 -2.229 1.00 34.12 N ATOM 264 NH2 ARG A 18 -4.561 -11.829 -3.048 1.00 64.45 N ATOM 0 H ARG A 18 -0.360 -5.605 0.559 1.00 65.12 H new ATOM 0 HA ARG A 18 -3.143 -6.214 0.521 1.00 50.15 H new ATOM 0 HB2 ARG A 18 -1.277 -6.801 -1.148 1.00 71.45 H new ATOM 0 HB3 ARG A 18 -0.821 -8.073 -0.033 1.00 71.45 H new ATOM 0 HG2 ARG A 18 -3.064 -9.079 -0.169 1.00 61.02 H new ATOM 0 HG3 ARG A 18 -3.654 -7.735 -1.128 1.00 61.02 H new ATOM 0 HD2 ARG A 18 -2.010 -8.299 -2.931 1.00 43.14 H new ATOM 0 HD3 ARG A 18 -1.420 -9.643 -1.973 1.00 43.14 H new ATOM 0 HE ARG A 18 -4.149 -9.409 -3.176 1.00 23.04 H new ATOM 0 HH11 ARG A 18 -1.560 -11.489 -1.929 1.00 34.12 H new ATOM 0 HH12 ARG A 18 -2.492 -12.966 -2.196 1.00 34.12 H new ATOM 0 HH21 ARG A 18 -5.353 -11.278 -3.379 1.00 64.45 H new ATOM 0 HH22 ARG A 18 -4.627 -12.846 -3.012 1.00 64.45 H new ATOM 275 N ASP A 19 -1.322 -7.965 2.659 1.00 1.23 N ATOM 276 CA ASP A 19 -1.367 -8.795 3.867 1.00 42.34 C ATOM 277 C ASP A 19 -2.082 -8.079 5.014 1.00 70.25 C ATOM 278 O ASP A 19 -2.687 -8.715 5.873 1.00 34.24 O ATOM 279 CB ASP A 19 0.064 -9.157 4.293 1.00 24.30 C ATOM 280 CG ASP A 19 0.101 -10.086 5.514 1.00 24.34 C ATOM 281 OD1 ASP A 19 -0.728 -11.017 5.616 1.00 64.33 O ATOM 282 OD2 ASP A 19 0.986 -9.908 6.388 1.00 52.31 O ATOM 0 H ASP A 19 -0.375 -7.825 2.306 1.00 1.23 H new ATOM 0 HA ASP A 19 -1.928 -9.701 3.636 1.00 42.34 H new ATOM 0 HB2 ASP A 19 0.576 -9.638 3.460 1.00 24.30 H new ATOM 0 HB3 ASP A 19 0.613 -8.243 4.520 1.00 24.30 H new ATOM 286 N HIS A 20 -2.052 -6.744 5.017 1.00 61.23 N ATOM 287 CA HIS A 20 -2.788 -5.968 5.999 1.00 32.20 C ATOM 288 C HIS A 20 -4.293 -5.995 5.773 1.00 70.32 C ATOM 289 O HIS A 20 -5.035 -6.050 6.754 1.00 64.05 O ATOM 290 CB HIS A 20 -2.281 -4.526 6.051 1.00 13.52 C ATOM 291 CG HIS A 20 -1.150 -4.337 7.021 1.00 31.23 C ATOM 292 ND1 HIS A 20 -1.009 -4.929 8.259 1.00 12.12 N ATOM 293 CD2 HIS A 20 -0.094 -3.497 6.834 1.00 41.54 C ATOM 294 CE1 HIS A 20 0.102 -4.422 8.816 1.00 63.11 C ATOM 295 NE2 HIS A 20 0.700 -3.546 7.986 1.00 34.00 N ATOM 0 H HIS A 20 -1.524 -6.185 4.347 1.00 61.23 H new ATOM 0 HA HIS A 20 -2.605 -6.444 6.962 1.00 32.20 H new ATOM 0 HB2 HIS A 20 -1.953 -4.226 5.056 1.00 13.52 H new ATOM 0 HB3 HIS A 20 -3.104 -3.867 6.328 1.00 13.52 H new ATOM 0 HD2 HIS A 20 0.097 -2.900 5.954 1.00 41.54 H new ATOM 0 HE1 HIS A 20 0.468 -4.682 9.798 1.00 63.11 H new ATOM 0 HE2 HIS A 20 1.558 -3.024 8.161 1.00 34.00 H new ATOM 302 N PHE A 21 -4.756 -5.896 4.528 1.00 42.32 N ATOM 303 CA PHE A 21 -6.178 -5.764 4.223 1.00 64.05 C ATOM 304 C PHE A 21 -6.849 -7.114 3.937 1.00 4.42 C ATOM 305 O PHE A 21 -8.066 -7.221 4.083 1.00 31.22 O ATOM 306 CB PHE A 21 -6.374 -4.756 3.075 1.00 25.44 C ATOM 307 CG PHE A 21 -7.376 -3.655 3.378 1.00 62.13 C ATOM 308 CD1 PHE A 21 -8.632 -3.963 3.927 1.00 51.52 C ATOM 309 CD2 PHE A 21 -7.073 -2.315 3.086 1.00 32.44 C ATOM 310 CE1 PHE A 21 -9.591 -2.963 4.151 1.00 4.42 C ATOM 311 CE2 PHE A 21 -8.036 -1.313 3.301 1.00 74.45 C ATOM 312 CZ PHE A 21 -9.301 -1.636 3.805 1.00 23.21 C ATOM 0 H PHE A 21 -4.156 -5.905 3.703 1.00 42.32 H new ATOM 0 HA PHE A 21 -6.680 -5.377 5.110 1.00 64.05 H new ATOM 0 HB2 PHE A 21 -5.412 -4.301 2.837 1.00 25.44 H new ATOM 0 HB3 PHE A 21 -6.701 -5.294 2.185 1.00 25.44 H new ATOM 0 HD1 PHE A 21 -8.864 -4.987 4.181 1.00 51.52 H new ATOM 0 HD2 PHE A 21 -6.100 -2.054 2.696 1.00 32.44 H new ATOM 0 HE1 PHE A 21 -10.546 -3.214 4.587 1.00 4.42 H new ATOM 0 HE2 PHE A 21 -7.797 -0.284 3.075 1.00 74.45 H new ATOM 0 HZ PHE A 21 -10.050 -0.867 3.927 1.00 23.21 H new ATOM 321 N SER A 22 -6.093 -8.164 3.608 1.00 22.31 N ATOM 322 CA SER A 22 -6.617 -9.511 3.390 1.00 65.43 C ATOM 323 C SER A 22 -7.372 -10.081 4.602 1.00 54.43 C ATOM 324 O SER A 22 -8.121 -11.051 4.459 1.00 62.12 O ATOM 325 CB SER A 22 -5.478 -10.429 2.973 1.00 33.32 C ATOM 326 OG SER A 22 -4.960 -10.052 1.712 1.00 23.12 O ATOM 0 H SER A 22 -5.083 -8.099 3.484 1.00 22.31 H new ATOM 0 HA SER A 22 -7.358 -9.448 2.593 1.00 65.43 H new ATOM 0 HB2 SER A 22 -4.686 -10.394 3.721 1.00 33.32 H new ATOM 0 HB3 SER A 22 -5.833 -11.459 2.932 1.00 33.32 H new ATOM 0 HG SER A 22 -4.452 -9.219 1.803 1.00 23.12 H new ATOM 331 N ASP A 23 -7.224 -9.503 5.796 1.00 45.44 N ATOM 332 CA ASP A 23 -7.964 -9.936 6.980 1.00 71.22 C ATOM 333 C ASP A 23 -9.402 -9.406 6.996 1.00 52.33 C ATOM 334 O ASP A 23 -10.271 -9.980 7.653 1.00 50.24 O ATOM 335 CB ASP A 23 -7.210 -9.509 8.258 1.00 52.53 C ATOM 336 CG ASP A 23 -6.781 -10.685 9.136 1.00 71.31 C ATOM 337 OD1 ASP A 23 -6.899 -11.861 8.723 1.00 24.33 O ATOM 338 OD2 ASP A 23 -6.267 -10.447 10.250 1.00 1.23 O ATOM 0 H ASP A 23 -6.589 -8.723 5.968 1.00 45.44 H new ATOM 0 HA ASP A 23 -8.031 -11.023 6.947 1.00 71.22 H new ATOM 0 HB2 ASP A 23 -6.327 -8.936 7.975 1.00 52.53 H new ATOM 0 HB3 ASP A 23 -7.847 -8.844 8.841 1.00 52.53 H new ATOM 342 N MET A 24 -9.686 -8.333 6.252 1.00 54.32 N ATOM 343 CA MET A 24 -10.930 -7.570 6.351 1.00 34.34 C ATOM 344 C MET A 24 -11.871 -7.812 5.161 1.00 13.42 C ATOM 345 O MET A 24 -12.869 -7.099 5.019 1.00 61.03 O ATOM 346 CB MET A 24 -10.618 -6.082 6.580 1.00 22.21 C ATOM 347 CG MET A 24 -9.914 -5.833 7.922 1.00 62.32 C ATOM 348 SD MET A 24 -8.105 -5.913 7.861 1.00 34.00 S ATOM 349 CE MET A 24 -7.739 -4.171 7.532 1.00 14.54 C ATOM 0 H MET A 24 -9.044 -7.965 5.551 1.00 54.32 H new ATOM 0 HA MET A 24 -11.482 -7.931 7.219 1.00 34.34 H new ATOM 0 HB2 MET A 24 -9.988 -5.716 5.769 1.00 22.21 H new ATOM 0 HB3 MET A 24 -11.545 -5.510 6.547 1.00 22.21 H new ATOM 0 HG2 MET A 24 -10.207 -4.851 8.293 1.00 62.32 H new ATOM 0 HG3 MET A 24 -10.271 -6.566 8.645 1.00 62.32 H new ATOM 0 HE1 MET A 24 -6.742 -4.084 7.100 1.00 14.54 H new ATOM 0 HE2 MET A 24 -8.473 -3.771 6.833 1.00 14.54 H new ATOM 0 HE3 MET A 24 -7.781 -3.608 8.464 1.00 14.54 H new ATOM 357 N GLY A 25 -11.582 -8.796 4.306 1.00 43.42 N ATOM 358 CA GLY A 25 -12.471 -9.234 3.240 1.00 44.51 C ATOM 359 C GLY A 25 -11.727 -9.408 1.931 1.00 50.24 C ATOM 360 O GLY A 25 -10.517 -9.651 1.913 1.00 30.32 O ATOM 0 H GLY A 25 -10.706 -9.317 4.340 1.00 43.42 H new ATOM 0 HA2 GLY A 25 -12.940 -10.177 3.521 1.00 44.51 H new ATOM 0 HA3 GLY A 25 -13.272 -8.506 3.110 1.00 44.51 H new ATOM 364 N GLU A 26 -12.476 -9.362 0.836 1.00 52.34 N ATOM 365 CA GLU A 26 -11.974 -9.565 -0.507 1.00 33.32 C ATOM 366 C GLU A 26 -11.867 -8.210 -1.192 1.00 30.24 C ATOM 367 O GLU A 26 -12.862 -7.536 -1.491 1.00 65.22 O ATOM 368 CB GLU A 26 -12.850 -10.556 -1.269 1.00 12.41 C ATOM 369 CG GLU A 26 -12.555 -11.994 -0.821 1.00 61.01 C ATOM 370 CD GLU A 26 -13.517 -13.008 -1.434 1.00 71.03 C ATOM 371 OE1 GLU A 26 -13.398 -13.359 -2.629 1.00 45.21 O ATOM 372 OE2 GLU A 26 -14.390 -13.514 -0.691 1.00 34.14 O ATOM 0 H GLU A 26 -13.479 -9.177 0.865 1.00 52.34 H new ATOM 0 HA GLU A 26 -10.980 -10.011 -0.482 1.00 33.32 H new ATOM 0 HB2 GLU A 26 -13.902 -10.325 -1.099 1.00 12.41 H new ATOM 0 HB3 GLU A 26 -12.671 -10.459 -2.340 1.00 12.41 H new ATOM 0 HG2 GLU A 26 -11.533 -12.255 -1.098 1.00 61.01 H new ATOM 0 HG3 GLU A 26 -12.616 -12.052 0.266 1.00 61.01 H new ATOM 377 N ILE A 27 -10.619 -7.809 -1.408 1.00 31.20 N ATOM 378 CA ILE A 27 -10.270 -6.731 -2.298 1.00 44.21 C ATOM 379 C ILE A 27 -10.740 -7.154 -3.700 1.00 32.03 C ATOM 380 O ILE A 27 -10.552 -8.300 -4.111 1.00 23.14 O ATOM 381 CB ILE A 27 -8.752 -6.445 -2.208 1.00 73.42 C ATOM 382 CG1 ILE A 27 -8.256 -6.132 -0.774 1.00 41.51 C ATOM 383 CG2 ILE A 27 -8.440 -5.223 -3.077 1.00 24.34 C ATOM 384 CD1 ILE A 27 -7.799 -7.354 0.036 1.00 31.00 C ATOM 0 H ILE A 27 -9.812 -8.239 -0.955 1.00 31.20 H new ATOM 0 HA ILE A 27 -10.755 -5.792 -2.034 1.00 44.21 H new ATOM 0 HB ILE A 27 -8.244 -7.350 -2.541 1.00 73.42 H new ATOM 0 HG12 ILE A 27 -7.427 -5.427 -0.838 1.00 41.51 H new ATOM 0 HG13 ILE A 27 -9.058 -5.633 -0.229 1.00 41.51 H new ATOM 0 HG21 ILE A 27 -7.373 -5.004 -3.027 1.00 24.34 H new ATOM 0 HG22 ILE A 27 -8.720 -5.430 -4.110 1.00 24.34 H new ATOM 0 HG23 ILE A 27 -9.004 -4.364 -2.713 1.00 24.34 H new ATOM 0 HD11 ILE A 27 -7.470 -7.033 1.024 1.00 31.00 H new ATOM 0 HD12 ILE A 27 -8.629 -8.053 0.139 1.00 31.00 H new ATOM 0 HD13 ILE A 27 -6.973 -7.844 -0.480 1.00 31.00 H new ATOM 395 N ALA A 28 -11.370 -6.231 -4.424 1.00 73.03 N ATOM 396 CA ALA A 28 -11.746 -6.373 -5.823 1.00 74.03 C ATOM 397 C ALA A 28 -10.567 -6.015 -6.725 1.00 34.00 C ATOM 398 O ALA A 28 -10.242 -6.790 -7.623 1.00 41.43 O ATOM 399 CB ALA A 28 -12.924 -5.457 -6.157 1.00 71.25 C ATOM 0 H ALA A 28 -11.642 -5.329 -4.033 1.00 73.03 H new ATOM 0 HA ALA A 28 -12.036 -7.410 -5.992 1.00 74.03 H new ATOM 0 HB1 ALA A 28 -13.191 -5.576 -7.207 1.00 71.25 H new ATOM 0 HB2 ALA A 28 -13.778 -5.720 -5.533 1.00 71.25 H new ATOM 0 HB3 ALA A 28 -12.643 -4.421 -5.970 1.00 71.25 H new ATOM 405 N THR A 29 -9.930 -4.864 -6.500 1.00 51.11 N ATOM 406 CA THR A 29 -8.757 -4.403 -7.231 1.00 44.11 C ATOM 407 C THR A 29 -7.770 -3.856 -6.203 1.00 74.41 C ATOM 408 O THR A 29 -8.108 -2.951 -5.431 1.00 31.42 O ATOM 409 CB THR A 29 -9.149 -3.335 -8.276 1.00 30.11 C ATOM 410 OG1 THR A 29 -10.162 -3.791 -9.158 1.00 43.41 O ATOM 411 CG2 THR A 29 -7.968 -2.856 -9.129 1.00 31.02 C ATOM 0 H THR A 29 -10.230 -4.208 -5.779 1.00 51.11 H new ATOM 0 HA THR A 29 -8.297 -5.220 -7.787 1.00 44.11 H new ATOM 0 HB THR A 29 -9.518 -2.501 -7.679 1.00 30.11 H new ATOM 0 HG1 THR A 29 -10.379 -3.083 -9.800 1.00 43.41 H new ATOM 0 HG21 THR A 29 -8.314 -2.107 -9.842 1.00 31.02 H new ATOM 0 HG22 THR A 29 -7.207 -2.418 -8.483 1.00 31.02 H new ATOM 0 HG23 THR A 29 -7.543 -3.702 -9.669 1.00 31.02 H new ATOM 419 N LEU A 30 -6.554 -4.404 -6.205 1.00 30.03 N ATOM 420 CA LEU A 30 -5.429 -3.911 -5.432 1.00 34.21 C ATOM 421 C LEU A 30 -4.424 -3.394 -6.445 1.00 45.33 C ATOM 422 O LEU A 30 -3.955 -4.141 -7.305 1.00 43.53 O ATOM 423 CB LEU A 30 -4.851 -5.043 -4.561 1.00 14.30 C ATOM 424 CG LEU A 30 -3.905 -4.631 -3.415 1.00 62.31 C ATOM 425 CD1 LEU A 30 -2.492 -4.265 -3.896 1.00 34.41 C ATOM 426 CD2 LEU A 30 -4.472 -3.521 -2.521 1.00 73.31 C ATOM 0 H LEU A 30 -6.325 -5.227 -6.763 1.00 30.03 H new ATOM 0 HA LEU A 30 -5.713 -3.115 -4.744 1.00 34.21 H new ATOM 0 HB2 LEU A 30 -5.684 -5.598 -4.130 1.00 14.30 H new ATOM 0 HB3 LEU A 30 -4.313 -5.731 -5.213 1.00 14.30 H new ATOM 0 HG LEU A 30 -3.823 -5.529 -2.803 1.00 62.31 H new ATOM 0 HD11 LEU A 30 -1.878 -3.985 -3.040 1.00 34.41 H new ATOM 0 HD12 LEU A 30 -2.045 -5.123 -4.398 1.00 34.41 H new ATOM 0 HD13 LEU A 30 -2.550 -3.427 -4.591 1.00 34.41 H new ATOM 0 HD21 LEU A 30 -3.753 -3.282 -1.737 1.00 73.31 H new ATOM 0 HD22 LEU A 30 -4.662 -2.632 -3.122 1.00 73.31 H new ATOM 0 HD23 LEU A 30 -5.404 -3.859 -2.068 1.00 73.31 H new ATOM 437 N TYR A 31 -4.113 -2.104 -6.403 1.00 71.24 N ATOM 438 CA TYR A 31 -2.944 -1.566 -7.061 1.00 11.30 C ATOM 439 C TYR A 31 -2.414 -0.389 -6.286 1.00 71.34 C ATOM 440 O TYR A 31 -3.115 0.439 -5.709 1.00 42.34 O ATOM 441 CB TYR A 31 -3.187 -1.211 -8.542 1.00 5.50 C ATOM 442 CG TYR A 31 -4.006 0.019 -8.907 1.00 5.51 C ATOM 443 CD1 TYR A 31 -4.938 0.586 -8.022 1.00 72.41 C ATOM 444 CD2 TYR A 31 -3.852 0.593 -10.184 1.00 31.44 C ATOM 445 CE1 TYR A 31 -5.719 1.684 -8.398 1.00 63.21 C ATOM 446 CE2 TYR A 31 -4.651 1.681 -10.580 1.00 40.31 C ATOM 447 CZ TYR A 31 -5.606 2.219 -9.694 1.00 75.04 C ATOM 448 OH TYR A 31 -6.419 3.228 -10.099 1.00 61.21 O ATOM 0 H TYR A 31 -4.669 -1.406 -5.909 1.00 71.24 H new ATOM 0 HA TYR A 31 -2.189 -2.352 -7.073 1.00 11.30 H new ATOM 0 HB2 TYR A 31 -2.210 -1.101 -9.013 1.00 5.50 H new ATOM 0 HB3 TYR A 31 -3.670 -2.071 -9.006 1.00 5.50 H new ATOM 0 HD1 TYR A 31 -5.054 0.167 -7.033 1.00 72.41 H new ATOM 0 HD2 TYR A 31 -3.114 0.195 -10.865 1.00 31.44 H new ATOM 0 HE1 TYR A 31 -6.410 2.122 -7.692 1.00 63.21 H new ATOM 0 HE2 TYR A 31 -4.532 2.105 -11.566 1.00 40.31 H new ATOM 0 HH TYR A 31 -6.200 3.474 -11.022 1.00 61.21 H new ATOM 457 N VAL A 32 -1.111 -0.312 -6.328 1.00 12.23 N ATOM 458 CA VAL A 32 -0.448 0.946 -6.377 1.00 42.34 C ATOM 459 C VAL A 32 -0.669 1.691 -7.667 1.00 61.03 C ATOM 460 O VAL A 32 -0.636 1.126 -8.761 1.00 12.33 O ATOM 461 CB VAL A 32 0.989 0.727 -5.930 1.00 70.43 C ATOM 462 CG1 VAL A 32 1.626 -0.554 -6.453 1.00 34.30 C ATOM 463 CG2 VAL A 32 1.954 1.861 -6.248 1.00 2.31 C ATOM 0 H VAL A 32 -0.489 -1.120 -6.329 1.00 12.23 H new ATOM 0 HA VAL A 32 -0.889 1.654 -5.676 1.00 42.34 H new ATOM 0 HB VAL A 32 0.852 0.666 -4.850 1.00 70.43 H new ATOM 0 HG11 VAL A 32 2.649 -0.628 -6.085 1.00 34.30 H new ATOM 0 HG12 VAL A 32 1.052 -1.414 -6.106 1.00 34.30 H new ATOM 0 HG13 VAL A 32 1.633 -0.538 -7.543 1.00 34.30 H new ATOM 0 HG21 VAL A 32 2.950 1.603 -5.887 1.00 2.31 H new ATOM 0 HG22 VAL A 32 1.988 2.018 -7.326 1.00 2.31 H new ATOM 0 HG23 VAL A 32 1.616 2.774 -5.759 1.00 2.31 H new ATOM 473 N GLN A 33 -0.800 3.001 -7.500 1.00 21.30 N ATOM 474 CA GLN A 33 -0.594 3.993 -8.526 1.00 54.23 C ATOM 475 C GLN A 33 0.548 4.954 -8.187 1.00 32.21 C ATOM 476 O GLN A 33 0.805 5.892 -8.942 1.00 42.21 O ATOM 477 CB GLN A 33 -1.912 4.626 -8.973 1.00 35.20 C ATOM 478 CG GLN A 33 -3.128 4.612 -8.053 1.00 42.23 C ATOM 479 CD GLN A 33 -4.338 5.280 -8.720 1.00 75.21 C ATOM 480 OE1 GLN A 33 -4.346 5.552 -9.924 1.00 32.00 O ATOM 481 NE2 GLN A 33 -5.385 5.592 -7.978 1.00 62.12 N ATOM 0 H GLN A 33 -1.064 3.410 -6.604 1.00 21.30 H new ATOM 0 HA GLN A 33 -0.231 3.496 -9.426 1.00 54.23 H new ATOM 0 HB2 GLN A 33 -1.703 5.668 -9.214 1.00 35.20 H new ATOM 0 HB3 GLN A 33 -2.205 4.137 -9.902 1.00 35.20 H new ATOM 0 HG2 GLN A 33 -3.376 3.584 -7.790 1.00 42.23 H new ATOM 0 HG3 GLN A 33 -2.890 5.130 -7.124 1.00 42.23 H new ATOM 0 HE21 GLN A 33 -5.388 5.371 -6.982 1.00 62.12 H new ATOM 0 HE22 GLN A 33 -6.190 6.053 -8.401 1.00 62.12 H new ATOM 488 N VAL A 34 1.272 4.710 -7.090 1.00 3.41 N ATOM 489 CA VAL A 34 2.248 5.669 -6.556 1.00 73.22 C ATOM 490 C VAL A 34 3.535 4.955 -6.102 1.00 13.33 C ATOM 491 O VAL A 34 4.042 5.171 -5.011 1.00 42.24 O ATOM 492 CB VAL A 34 1.545 6.493 -5.446 1.00 33.33 C ATOM 493 CG1 VAL A 34 2.371 7.684 -4.934 1.00 21.14 C ATOM 494 CG2 VAL A 34 0.161 7.040 -5.867 1.00 2.34 C ATOM 0 H VAL A 34 1.200 3.848 -6.549 1.00 3.41 H new ATOM 0 HA VAL A 34 2.583 6.365 -7.325 1.00 73.22 H new ATOM 0 HB VAL A 34 1.428 5.763 -4.645 1.00 33.33 H new ATOM 0 HG11 VAL A 34 1.811 8.209 -4.160 1.00 21.14 H new ATOM 0 HG12 VAL A 34 3.312 7.323 -4.519 1.00 21.14 H new ATOM 0 HG13 VAL A 34 2.576 8.366 -5.759 1.00 21.14 H new ATOM 0 HG21 VAL A 34 -0.273 7.606 -5.043 1.00 2.34 H new ATOM 0 HG22 VAL A 34 0.275 7.691 -6.734 1.00 2.34 H new ATOM 0 HG23 VAL A 34 -0.496 6.209 -6.122 1.00 2.34 H new ATOM 504 N TYR A 35 4.063 4.032 -6.901 1.00 1.13 N ATOM 505 CA TYR A 35 5.233 3.250 -6.478 1.00 2.31 C ATOM 506 C TYR A 35 6.431 4.185 -6.389 1.00 60.15 C ATOM 507 O TYR A 35 6.676 4.946 -7.328 1.00 33.42 O ATOM 508 CB TYR A 35 5.507 2.113 -7.474 1.00 62.45 C ATOM 509 CG TYR A 35 6.839 1.408 -7.278 1.00 22.21 C ATOM 510 CD1 TYR A 35 7.248 0.988 -5.996 1.00 33.24 C ATOM 511 CD2 TYR A 35 7.678 1.174 -8.385 1.00 31.32 C ATOM 512 CE1 TYR A 35 8.496 0.370 -5.820 1.00 22.02 C ATOM 513 CE2 TYR A 35 8.911 0.522 -8.214 1.00 44.34 C ATOM 514 CZ TYR A 35 9.333 0.125 -6.929 1.00 71.12 C ATOM 515 OH TYR A 35 10.532 -0.501 -6.769 1.00 12.23 O ATOM 0 H TYR A 35 3.710 3.805 -7.831 1.00 1.13 H new ATOM 0 HA TYR A 35 5.045 2.799 -5.504 1.00 2.31 H new ATOM 0 HB2 TYR A 35 4.706 1.378 -7.395 1.00 62.45 H new ATOM 0 HB3 TYR A 35 5.470 2.517 -8.486 1.00 62.45 H new ATOM 0 HD1 TYR A 35 6.599 1.142 -5.147 1.00 33.24 H new ATOM 0 HD2 TYR A 35 7.372 1.497 -9.369 1.00 31.32 H new ATOM 0 HE1 TYR A 35 8.817 0.081 -4.830 1.00 22.02 H new ATOM 0 HE2 TYR A 35 9.538 0.324 -9.071 1.00 44.34 H new ATOM 0 HH TYR A 35 10.975 -0.587 -7.639 1.00 12.23 H new ATOM 524 N GLU A 36 7.191 4.108 -5.295 1.00 53.15 N ATOM 525 CA GLU A 36 8.446 4.841 -5.209 1.00 51.41 C ATOM 526 C GLU A 36 9.616 3.879 -5.407 1.00 54.54 C ATOM 527 O GLU A 36 9.913 3.050 -4.553 1.00 54.45 O ATOM 528 CB GLU A 36 8.512 5.663 -3.917 1.00 53.14 C ATOM 529 CG GLU A 36 9.603 6.734 -4.032 1.00 61.13 C ATOM 530 CD GLU A 36 9.340 7.984 -3.186 1.00 75.11 C ATOM 531 OE1 GLU A 36 8.660 7.930 -2.134 1.00 62.41 O ATOM 532 OE2 GLU A 36 9.826 9.061 -3.594 1.00 44.41 O ATOM 0 H GLU A 36 6.961 3.553 -4.470 1.00 53.15 H new ATOM 0 HA GLU A 36 8.511 5.574 -6.013 1.00 51.41 H new ATOM 0 HB2 GLU A 36 7.548 6.134 -3.726 1.00 53.14 H new ATOM 0 HB3 GLU A 36 8.721 5.009 -3.070 1.00 53.14 H new ATOM 0 HG2 GLU A 36 10.557 6.300 -3.733 1.00 61.13 H new ATOM 0 HG3 GLU A 36 9.700 7.029 -5.077 1.00 61.13 H new ATOM 537 N SER A 37 10.303 3.979 -6.544 1.00 13.23 N ATOM 538 CA SER A 37 11.421 3.109 -6.897 1.00 53.42 C ATOM 539 C SER A 37 12.691 3.371 -6.068 1.00 0.31 C ATOM 540 O SER A 37 13.736 2.768 -6.346 1.00 15.20 O ATOM 541 CB SER A 37 11.661 3.207 -8.409 1.00 51.43 C ATOM 542 OG SER A 37 11.852 4.542 -8.843 1.00 55.35 O ATOM 0 H SER A 37 10.094 4.678 -7.256 1.00 13.23 H new ATOM 0 HA SER A 37 11.154 2.083 -6.643 1.00 53.42 H new ATOM 0 HB2 SER A 37 12.536 2.614 -8.674 1.00 51.43 H new ATOM 0 HB3 SER A 37 10.811 2.775 -8.937 1.00 51.43 H new ATOM 0 HG SER A 37 12.003 4.553 -9.811 1.00 55.35 H new ATOM 547 N SER A 38 12.628 4.275 -5.086 1.00 40.14 N ATOM 548 CA SER A 38 13.744 4.698 -4.250 1.00 55.53 C ATOM 549 C SER A 38 13.414 4.689 -2.750 1.00 11.12 C ATOM 550 O SER A 38 14.334 4.830 -1.944 1.00 11.32 O ATOM 551 CB SER A 38 14.179 6.109 -4.678 1.00 44.15 C ATOM 552 OG SER A 38 14.517 6.165 -6.056 1.00 62.33 O ATOM 0 H SER A 38 11.758 4.750 -4.845 1.00 40.14 H new ATOM 0 HA SER A 38 14.551 3.979 -4.394 1.00 55.53 H new ATOM 0 HB2 SER A 38 13.374 6.815 -4.473 1.00 44.15 H new ATOM 0 HB3 SER A 38 15.036 6.421 -4.081 1.00 44.15 H new ATOM 0 HG SER A 38 14.786 7.078 -6.290 1.00 62.33 H new ATOM 557 N LEU A 39 12.145 4.519 -2.353 1.00 71.33 N ATOM 558 CA LEU A 39 11.711 4.522 -0.956 1.00 51.55 C ATOM 559 C LEU A 39 10.642 3.459 -0.770 1.00 61.02 C ATOM 560 O LEU A 39 10.041 2.987 -1.729 1.00 22.24 O ATOM 561 CB LEU A 39 11.153 5.901 -0.557 1.00 62.22 C ATOM 562 CG LEU A 39 12.236 6.970 -0.332 1.00 33.44 C ATOM 563 CD1 LEU A 39 11.602 8.354 -0.203 1.00 73.15 C ATOM 564 CD2 LEU A 39 13.024 6.676 0.946 1.00 62.15 C ATOM 0 H LEU A 39 11.379 4.373 -3.010 1.00 71.33 H new ATOM 0 HA LEU A 39 12.568 4.307 -0.317 1.00 51.55 H new ATOM 0 HB2 LEU A 39 10.472 6.246 -1.335 1.00 62.22 H new ATOM 0 HB3 LEU A 39 10.566 5.795 0.355 1.00 62.22 H new ATOM 0 HG LEU A 39 12.907 6.949 -1.191 1.00 33.44 H new ATOM 0 HD11 LEU A 39 12.382 9.098 -0.044 1.00 73.15 H new ATOM 0 HD12 LEU A 39 11.055 8.590 -1.116 1.00 73.15 H new ATOM 0 HD13 LEU A 39 10.915 8.362 0.643 1.00 73.15 H new ATOM 0 HD21 LEU A 39 13.785 7.443 1.088 1.00 62.15 H new ATOM 0 HD22 LEU A 39 12.346 6.675 1.799 1.00 62.15 H new ATOM 0 HD23 LEU A 39 13.503 5.700 0.862 1.00 62.15 H new ATOM 575 N GLU A 40 10.392 3.060 0.468 1.00 43.23 N ATOM 576 CA GLU A 40 9.501 1.974 0.800 1.00 20.43 C ATOM 577 C GLU A 40 8.110 2.574 0.970 1.00 63.15 C ATOM 578 O GLU A 40 7.588 2.682 2.075 1.00 63.22 O ATOM 579 CB GLU A 40 9.980 1.195 2.037 1.00 15.42 C ATOM 580 CG GLU A 40 11.401 0.607 1.933 1.00 52.34 C ATOM 581 CD GLU A 40 12.545 1.618 2.102 1.00 24.22 C ATOM 582 OE1 GLU A 40 12.322 2.750 2.590 1.00 2.51 O ATOM 583 OE2 GLU A 40 13.701 1.269 1.765 1.00 24.02 O ATOM 0 H GLU A 40 10.817 3.498 1.285 1.00 43.23 H new ATOM 0 HA GLU A 40 9.482 1.231 0.003 1.00 20.43 H new ATOM 0 HB2 GLU A 40 9.941 1.858 2.901 1.00 15.42 H new ATOM 0 HB3 GLU A 40 9.280 0.381 2.227 1.00 15.42 H new ATOM 0 HG2 GLU A 40 11.511 -0.170 2.689 1.00 52.34 H new ATOM 0 HG3 GLU A 40 11.506 0.124 0.962 1.00 52.34 H new ATOM 588 N SER A 41 7.549 3.053 -0.129 1.00 55.15 N ATOM 589 CA SER A 41 6.311 3.812 -0.151 1.00 62.31 C ATOM 590 C SER A 41 5.284 3.054 -0.985 1.00 44.21 C ATOM 591 O SER A 41 5.631 2.468 -2.018 1.00 71.35 O ATOM 592 CB SER A 41 6.664 5.194 -0.690 1.00 42.25 C ATOM 593 OG SER A 41 5.532 5.981 -0.974 1.00 42.51 O ATOM 0 H SER A 41 7.954 2.920 -1.055 1.00 55.15 H new ATOM 0 HA SER A 41 5.856 3.938 0.831 1.00 62.31 H new ATOM 0 HB2 SER A 41 7.287 5.713 0.038 1.00 42.25 H new ATOM 0 HB3 SER A 41 7.259 5.083 -1.597 1.00 42.25 H new ATOM 0 HG SER A 41 5.818 6.855 -1.314 1.00 42.51 H new ATOM 598 N LEU A 42 4.026 3.053 -0.526 1.00 2.42 N ATOM 599 CA LEU A 42 2.923 2.455 -1.274 1.00 22.20 C ATOM 600 C LEU A 42 1.601 3.211 -1.056 1.00 55.24 C ATOM 601 O LEU A 42 1.065 3.203 0.056 1.00 11.34 O ATOM 602 CB LEU A 42 2.766 0.957 -0.928 1.00 33.04 C ATOM 603 CG LEU A 42 2.209 0.117 -2.102 1.00 45.53 C ATOM 604 CD1 LEU A 42 0.732 0.400 -2.390 1.00 3.42 C ATOM 605 CD2 LEU A 42 3.070 0.271 -3.355 1.00 50.13 C ATOM 0 H LEU A 42 3.750 3.464 0.366 1.00 2.42 H new ATOM 0 HA LEU A 42 3.171 2.538 -2.332 1.00 22.20 H new ATOM 0 HB2 LEU A 42 3.735 0.556 -0.630 1.00 33.04 H new ATOM 0 HB3 LEU A 42 2.101 0.856 -0.070 1.00 33.04 H new ATOM 0 HG LEU A 42 2.261 -0.926 -1.788 1.00 45.53 H new ATOM 0 HD11 LEU A 42 0.399 -0.219 -3.223 1.00 3.42 H new ATOM 0 HD12 LEU A 42 0.138 0.169 -1.506 1.00 3.42 H new ATOM 0 HD13 LEU A 42 0.606 1.452 -2.646 1.00 3.42 H new ATOM 0 HD21 LEU A 42 2.651 -0.332 -4.161 1.00 50.13 H new ATOM 0 HD22 LEU A 42 3.089 1.318 -3.657 1.00 50.13 H new ATOM 0 HD23 LEU A 42 4.085 -0.063 -3.142 1.00 50.13 H new ATOM 616 N VAL A 43 1.059 3.831 -2.111 1.00 21.02 N ATOM 617 CA VAL A 43 -0.219 4.550 -2.147 1.00 42.31 C ATOM 618 C VAL A 43 -0.961 4.196 -3.460 1.00 62.34 C ATOM 619 O VAL A 43 -0.358 3.772 -4.463 1.00 15.51 O ATOM 620 CB VAL A 43 0.056 6.076 -1.967 1.00 54.35 C ATOM 621 CG1 VAL A 43 -1.205 6.949 -1.901 1.00 24.21 C ATOM 622 CG2 VAL A 43 0.858 6.380 -0.698 1.00 43.31 C ATOM 0 H VAL A 43 1.529 3.845 -3.016 1.00 21.02 H new ATOM 0 HA VAL A 43 -0.875 4.251 -1.330 1.00 42.31 H new ATOM 0 HB VAL A 43 0.619 6.326 -2.866 1.00 54.35 H new ATOM 0 HG11 VAL A 43 -0.918 7.993 -1.775 1.00 24.21 H new ATOM 0 HG12 VAL A 43 -1.774 6.837 -2.824 1.00 24.21 H new ATOM 0 HG13 VAL A 43 -1.820 6.637 -1.057 1.00 24.21 H new ATOM 0 HG21 VAL A 43 1.022 7.455 -0.620 1.00 43.31 H new ATOM 0 HG22 VAL A 43 0.304 6.033 0.174 1.00 43.31 H new ATOM 0 HG23 VAL A 43 1.819 5.869 -0.744 1.00 43.31 H new ATOM 632 N GLY A 44 -2.281 4.391 -3.479 1.00 75.02 N ATOM 633 CA GLY A 44 -3.170 4.165 -4.619 1.00 64.24 C ATOM 634 C GLY A 44 -4.525 3.584 -4.213 1.00 60.45 C ATOM 635 O GLY A 44 -5.161 2.913 -5.031 1.00 43.11 O ATOM 0 H GLY A 44 -2.784 4.728 -2.658 1.00 75.02 H new ATOM 0 HA2 GLY A 44 -3.327 5.108 -5.143 1.00 64.24 H new ATOM 0 HA3 GLY A 44 -2.686 3.487 -5.322 1.00 64.24 H new ATOM 639 N GLY A 45 -5.002 3.813 -2.984 1.00 21.33 N ATOM 640 CA GLY A 45 -6.306 3.354 -2.555 1.00 13.11 C ATOM 641 C GLY A 45 -6.354 1.841 -2.398 1.00 55.14 C ATOM 642 O GLY A 45 -5.314 1.175 -2.367 1.00 64.04 O ATOM 0 H GLY A 45 -4.486 4.323 -2.267 1.00 21.33 H new ATOM 0 HA2 GLY A 45 -6.562 3.825 -1.606 1.00 13.11 H new ATOM 0 HA3 GLY A 45 -7.057 3.667 -3.280 1.00 13.11 H new ATOM 646 N VAL A 46 -7.556 1.287 -2.271 1.00 21.04 N ATOM 647 CA VAL A 46 -7.851 -0.141 -2.299 1.00 63.01 C ATOM 648 C VAL A 46 -9.356 -0.277 -2.490 1.00 63.13 C ATOM 649 O VAL A 46 -10.115 0.429 -1.830 1.00 35.13 O ATOM 650 CB VAL A 46 -7.285 -0.853 -1.047 1.00 52.34 C ATOM 651 CG1 VAL A 46 -7.564 -0.123 0.273 1.00 52.34 C ATOM 652 CG2 VAL A 46 -7.708 -2.323 -0.952 1.00 45.34 C ATOM 0 H VAL A 46 -8.395 1.853 -2.139 1.00 21.04 H new ATOM 0 HA VAL A 46 -7.356 -0.648 -3.127 1.00 63.01 H new ATOM 0 HB VAL A 46 -6.206 -0.823 -1.196 1.00 52.34 H new ATOM 0 HG11 VAL A 46 -7.134 -0.689 1.100 1.00 52.34 H new ATOM 0 HG12 VAL A 46 -7.116 0.870 0.241 1.00 52.34 H new ATOM 0 HG13 VAL A 46 -8.640 -0.031 0.418 1.00 52.34 H new ATOM 0 HG21 VAL A 46 -7.280 -2.767 -0.054 1.00 45.34 H new ATOM 0 HG22 VAL A 46 -8.795 -2.387 -0.906 1.00 45.34 H new ATOM 0 HG23 VAL A 46 -7.350 -2.862 -1.829 1.00 45.34 H new ATOM 662 N ILE A 47 -9.769 -1.104 -3.451 1.00 3.10 N ATOM 663 CA ILE A 47 -11.124 -1.175 -3.973 1.00 32.41 C ATOM 664 C ILE A 47 -11.631 -2.560 -3.587 1.00 65.12 C ATOM 665 O ILE A 47 -11.036 -3.552 -4.001 1.00 31.30 O ATOM 666 CB ILE A 47 -11.105 -0.967 -5.509 1.00 62.05 C ATOM 667 CG1 ILE A 47 -10.457 0.363 -5.970 1.00 52.54 C ATOM 668 CG2 ILE A 47 -12.524 -1.016 -6.093 1.00 3.31 C ATOM 669 CD1 ILE A 47 -8.939 0.295 -6.187 1.00 2.23 C ATOM 0 H ILE A 47 -9.139 -1.768 -3.902 1.00 3.10 H new ATOM 0 HA ILE A 47 -11.777 -0.401 -3.569 1.00 32.41 H new ATOM 0 HB ILE A 47 -10.491 -1.787 -5.880 1.00 62.05 H new ATOM 0 HG12 ILE A 47 -10.930 0.678 -6.900 1.00 52.54 H new ATOM 0 HG13 ILE A 47 -10.670 1.132 -5.227 1.00 52.54 H new ATOM 0 HG21 ILE A 47 -12.479 -0.867 -7.172 1.00 3.31 H new ATOM 0 HG22 ILE A 47 -12.972 -1.986 -5.879 1.00 3.31 H new ATOM 0 HG23 ILE A 47 -13.130 -0.229 -5.643 1.00 3.31 H new ATOM 0 HD11 ILE A 47 -8.573 1.270 -6.508 1.00 2.23 H new ATOM 0 HD12 ILE A 47 -8.450 0.013 -5.254 1.00 2.23 H new ATOM 0 HD13 ILE A 47 -8.714 -0.447 -6.953 1.00 2.23 H new ATOM 680 N PHE A 48 -12.684 -2.651 -2.781 1.00 1.54 N ATOM 681 CA PHE A 48 -13.290 -3.905 -2.332 1.00 44.22 C ATOM 682 C PHE A 48 -14.433 -4.351 -3.232 1.00 52.43 C ATOM 683 O PHE A 48 -15.081 -3.527 -3.883 1.00 31.44 O ATOM 684 CB PHE A 48 -13.837 -3.717 -0.917 1.00 62.42 C ATOM 685 CG PHE A 48 -12.880 -4.219 0.132 1.00 2.44 C ATOM 686 CD1 PHE A 48 -11.607 -3.637 0.265 1.00 24.31 C ATOM 687 CD2 PHE A 48 -13.238 -5.313 0.936 1.00 63.11 C ATOM 688 CE1 PHE A 48 -10.699 -4.136 1.212 1.00 33.11 C ATOM 689 CE2 PHE A 48 -12.322 -5.817 1.867 1.00 3.11 C ATOM 690 CZ PHE A 48 -11.055 -5.240 2.004 1.00 42.14 C ATOM 0 H PHE A 48 -13.157 -1.827 -2.408 1.00 1.54 H new ATOM 0 HA PHE A 48 -12.515 -4.671 -2.362 1.00 44.22 H new ATOM 0 HB2 PHE A 48 -14.041 -2.660 -0.745 1.00 62.42 H new ATOM 0 HB3 PHE A 48 -14.786 -4.244 -0.823 1.00 62.42 H new ATOM 0 HD1 PHE A 48 -11.327 -2.804 -0.363 1.00 24.31 H new ATOM 0 HD2 PHE A 48 -14.215 -5.763 0.837 1.00 63.11 H new ATOM 0 HE1 PHE A 48 -9.731 -3.673 1.331 1.00 33.11 H new ATOM 0 HE2 PHE A 48 -12.596 -6.659 2.485 1.00 3.11 H new ATOM 0 HZ PHE A 48 -10.352 -5.643 2.718 1.00 42.14 H new ATOM 699 N GLU A 49 -14.742 -5.646 -3.149 1.00 33.20 N ATOM 700 CA GLU A 49 -15.882 -6.307 -3.787 1.00 70.14 C ATOM 701 C GLU A 49 -17.196 -5.643 -3.364 1.00 63.34 C ATOM 702 O GLU A 49 -18.109 -5.446 -4.166 1.00 31.04 O ATOM 703 CB GLU A 49 -15.881 -7.762 -3.350 1.00 63.41 C ATOM 704 CG GLU A 49 -14.792 -8.613 -4.016 1.00 24.04 C ATOM 705 CD GLU A 49 -15.317 -9.426 -5.192 1.00 64.44 C ATOM 706 OE1 GLU A 49 -16.102 -10.377 -4.956 1.00 42.33 O ATOM 707 OE2 GLU A 49 -14.873 -9.180 -6.335 1.00 50.31 O ATOM 0 H GLU A 49 -14.174 -6.296 -2.606 1.00 33.20 H new ATOM 0 HA GLU A 49 -15.797 -6.228 -4.871 1.00 70.14 H new ATOM 0 HB2 GLU A 49 -15.751 -7.806 -2.269 1.00 63.41 H new ATOM 0 HB3 GLU A 49 -16.855 -8.198 -3.572 1.00 63.41 H new ATOM 0 HG2 GLU A 49 -13.988 -7.962 -4.360 1.00 24.04 H new ATOM 0 HG3 GLU A 49 -14.361 -9.288 -3.276 1.00 24.04 H new ATOM 712 N ASP A 50 -17.263 -5.271 -2.086 1.00 53.43 N ATOM 713 CA ASP A 50 -18.438 -4.738 -1.402 1.00 34.03 C ATOM 714 C ASP A 50 -18.673 -3.259 -1.722 1.00 70.02 C ATOM 715 O ASP A 50 -19.646 -2.670 -1.245 1.00 13.23 O ATOM 716 CB ASP A 50 -18.252 -4.918 0.116 1.00 5.51 C ATOM 717 CG ASP A 50 -19.288 -5.865 0.701 1.00 13.31 C ATOM 718 OD1 ASP A 50 -20.451 -5.449 0.907 1.00 62.12 O ATOM 719 OD2 ASP A 50 -18.913 -6.997 1.072 1.00 14.24 O ATOM 0 H ASP A 50 -16.454 -5.338 -1.468 1.00 53.43 H new ATOM 0 HA ASP A 50 -19.313 -5.286 -1.752 1.00 34.03 H new ATOM 0 HB2 ASP A 50 -17.252 -5.303 0.317 1.00 5.51 H new ATOM 0 HB3 ASP A 50 -18.325 -3.949 0.609 1.00 5.51 H new ATOM 723 N GLY A 51 -17.776 -2.639 -2.494 1.00 5.43 N ATOM 724 CA GLY A 51 -17.769 -1.211 -2.751 1.00 13.34 C ATOM 725 C GLY A 51 -17.294 -0.459 -1.514 1.00 21.20 C ATOM 726 O GLY A 51 -18.095 0.162 -0.817 1.00 75.45 O ATOM 0 H GLY A 51 -17.020 -3.135 -2.965 1.00 5.43 H new ATOM 0 HA2 GLY A 51 -17.116 -0.989 -3.595 1.00 13.34 H new ATOM 0 HA3 GLY A 51 -18.770 -0.878 -3.027 1.00 13.34 H new ATOM 730 N ARG A 52 -16.006 -0.566 -1.185 1.00 24.42 N ATOM 731 CA ARG A 52 -15.399 0.068 -0.023 1.00 1.24 C ATOM 732 C ARG A 52 -14.052 0.603 -0.493 1.00 43.43 C ATOM 733 O ARG A 52 -13.071 -0.143 -0.494 1.00 62.01 O ATOM 734 CB ARG A 52 -15.267 -0.901 1.171 1.00 61.42 C ATOM 735 CG ARG A 52 -16.526 -1.719 1.476 1.00 21.40 C ATOM 736 CD ARG A 52 -16.293 -2.657 2.670 1.00 52.45 C ATOM 737 NE ARG A 52 -16.224 -1.891 3.921 1.00 31.30 N ATOM 738 CZ ARG A 52 -15.842 -2.328 5.121 1.00 71.23 C ATOM 739 NH1 ARG A 52 -15.399 -3.561 5.321 1.00 22.00 N ATOM 740 NH2 ARG A 52 -15.900 -1.506 6.154 1.00 34.21 N ATOM 0 H ARG A 52 -15.343 -1.111 -1.736 1.00 24.42 H new ATOM 0 HA ARG A 52 -16.026 0.876 0.354 1.00 1.24 H new ATOM 0 HB2 ARG A 52 -14.443 -1.587 0.975 1.00 61.42 H new ATOM 0 HB3 ARG A 52 -14.999 -0.328 2.058 1.00 61.42 H new ATOM 0 HG2 ARG A 52 -17.357 -1.048 1.692 1.00 21.40 H new ATOM 0 HG3 ARG A 52 -16.807 -2.302 0.599 1.00 21.40 H new ATOM 0 HD2 ARG A 52 -17.100 -3.388 2.728 1.00 52.45 H new ATOM 0 HD3 ARG A 52 -15.367 -3.214 2.527 1.00 52.45 H new ATOM 0 HE ARG A 52 -16.500 -0.911 3.865 1.00 31.30 H new ATOM 0 HH11 ARG A 52 -15.341 -4.215 4.540 1.00 22.00 H new ATOM 0 HH12 ARG A 52 -15.116 -3.856 6.256 1.00 22.00 H new ATOM 0 HH21 ARG A 52 -16.234 -0.551 6.027 1.00 34.21 H new ATOM 0 HH22 ARG A 52 -15.611 -1.827 7.078 1.00 34.21 H new ATOM 751 N HIS A 53 -14.005 1.847 -0.963 1.00 40.25 N ATOM 752 CA HIS A 53 -12.784 2.460 -1.468 1.00 15.30 C ATOM 753 C HIS A 53 -12.195 3.340 -0.370 1.00 61.14 C ATOM 754 O HIS A 53 -12.841 4.297 0.072 1.00 63.14 O ATOM 755 CB HIS A 53 -13.057 3.242 -2.759 1.00 41.32 C ATOM 756 CG HIS A 53 -11.826 3.737 -3.494 1.00 74.23 C ATOM 757 ND1 HIS A 53 -11.851 4.682 -4.492 1.00 0.12 N ATOM 758 CD2 HIS A 53 -10.521 3.334 -3.352 1.00 3.53 C ATOM 759 CE1 HIS A 53 -10.595 4.852 -4.936 1.00 55.32 C ATOM 760 NE2 HIS A 53 -9.743 4.063 -4.256 1.00 63.01 N ATOM 0 H HIS A 53 -14.819 2.460 -1.003 1.00 40.25 H new ATOM 0 HA HIS A 53 -12.056 1.691 -1.728 1.00 15.30 H new ATOM 0 HB2 HIS A 53 -13.631 2.607 -3.434 1.00 41.32 H new ATOM 0 HB3 HIS A 53 -13.685 4.100 -2.518 1.00 41.32 H new ATOM 0 HD1 HIS A 53 -12.679 5.169 -4.835 1.00 0.12 H new ATOM 0 HD2 HIS A 53 -10.159 2.585 -2.663 1.00 3.53 H new ATOM 0 HE1 HIS A 53 -10.309 5.528 -5.728 1.00 55.32 H new ATOM 767 N TYR A 54 -10.976 3.015 0.064 1.00 12.54 N ATOM 768 CA TYR A 54 -10.218 3.782 1.046 1.00 2.10 C ATOM 769 C TYR A 54 -8.876 4.158 0.441 1.00 2.30 C ATOM 770 O TYR A 54 -8.207 3.309 -0.144 1.00 11.42 O ATOM 771 CB TYR A 54 -10.032 2.976 2.341 1.00 60.33 C ATOM 772 CG TYR A 54 -11.302 2.886 3.160 1.00 40.43 C ATOM 773 CD1 TYR A 54 -12.283 1.940 2.828 1.00 63.24 C ATOM 774 CD2 TYR A 54 -11.551 3.811 4.189 1.00 71.45 C ATOM 775 CE1 TYR A 54 -13.520 1.936 3.483 1.00 1.13 C ATOM 776 CE2 TYR A 54 -12.801 3.832 4.829 1.00 51.13 C ATOM 777 CZ TYR A 54 -13.805 2.907 4.465 1.00 40.34 C ATOM 778 OH TYR A 54 -15.048 2.969 5.019 1.00 63.44 O ATOM 0 H TYR A 54 -10.478 2.189 -0.268 1.00 12.54 H new ATOM 0 HA TYR A 54 -10.765 4.689 1.304 1.00 2.10 H new ATOM 0 HB2 TYR A 54 -9.692 1.970 2.093 1.00 60.33 H new ATOM 0 HB3 TYR A 54 -9.249 3.438 2.942 1.00 60.33 H new ATOM 0 HD1 TYR A 54 -12.082 1.208 2.060 1.00 63.24 H new ATOM 0 HD2 TYR A 54 -10.780 4.506 4.488 1.00 71.45 H new ATOM 0 HE1 TYR A 54 -14.258 1.187 3.236 1.00 1.13 H new ATOM 0 HE2 TYR A 54 -12.996 4.559 5.603 1.00 51.13 H new ATOM 0 HH TYR A 54 -15.264 3.900 5.234 1.00 63.44 H new ATOM 787 N THR A 55 -8.472 5.416 0.591 1.00 60.32 N ATOM 788 CA THR A 55 -7.162 5.947 0.252 1.00 1.41 C ATOM 789 C THR A 55 -6.167 5.444 1.300 1.00 3.41 C ATOM 790 O THR A 55 -5.971 6.076 2.339 1.00 54.14 O ATOM 791 CB THR A 55 -7.246 7.484 0.164 1.00 55.32 C ATOM 792 OG1 THR A 55 -7.912 8.033 1.288 1.00 34.24 O ATOM 793 CG2 THR A 55 -8.051 7.900 -1.069 1.00 23.10 C ATOM 0 H THR A 55 -9.089 6.131 0.975 1.00 60.32 H new ATOM 0 HA THR A 55 -6.816 5.604 -0.723 1.00 1.41 H new ATOM 0 HB THR A 55 -6.221 7.852 0.116 1.00 55.32 H new ATOM 0 HG1 THR A 55 -7.947 9.009 1.203 1.00 34.24 H new ATOM 0 HG21 THR A 55 -8.103 8.988 -1.120 1.00 23.10 H new ATOM 0 HG22 THR A 55 -7.565 7.518 -1.967 1.00 23.10 H new ATOM 0 HG23 THR A 55 -9.059 7.491 -1.000 1.00 23.10 H new ATOM 801 N PHE A 56 -5.594 4.262 1.071 1.00 22.34 N ATOM 802 CA PHE A 56 -4.499 3.718 1.871 1.00 13.32 C ATOM 803 C PHE A 56 -3.240 4.538 1.617 1.00 64.01 C ATOM 804 O PHE A 56 -2.968 4.916 0.471 1.00 35.03 O ATOM 805 CB PHE A 56 -4.295 2.228 1.529 1.00 1.52 C ATOM 806 CG PHE A 56 -4.427 1.251 2.683 1.00 61.34 C ATOM 807 CD1 PHE A 56 -5.540 1.296 3.542 1.00 53.45 C ATOM 808 CD2 PHE A 56 -3.466 0.239 2.857 1.00 14.14 C ATOM 809 CE1 PHE A 56 -5.671 0.353 4.578 1.00 54.45 C ATOM 810 CE2 PHE A 56 -3.622 -0.736 3.860 1.00 50.24 C ATOM 811 CZ PHE A 56 -4.724 -0.673 4.729 1.00 63.25 C ATOM 0 H PHE A 56 -5.884 3.646 0.311 1.00 22.34 H new ATOM 0 HA PHE A 56 -4.736 3.781 2.933 1.00 13.32 H new ATOM 0 HB2 PHE A 56 -5.017 1.951 0.761 1.00 1.52 H new ATOM 0 HB3 PHE A 56 -3.304 2.110 1.092 1.00 1.52 H new ATOM 0 HD1 PHE A 56 -6.295 2.056 3.406 1.00 53.45 H new ATOM 0 HD2 PHE A 56 -2.599 0.210 2.214 1.00 14.14 H new ATOM 0 HE1 PHE A 56 -6.505 0.419 5.261 1.00 54.45 H new ATOM 0 HE2 PHE A 56 -2.897 -1.530 3.961 1.00 50.24 H new ATOM 0 HZ PHE A 56 -4.842 -1.410 5.509 1.00 63.25 H new ATOM 820 N VAL A 57 -2.483 4.826 2.673 1.00 32.11 N ATOM 821 CA VAL A 57 -1.177 5.441 2.546 1.00 0.43 C ATOM 822 C VAL A 57 -0.269 4.855 3.614 1.00 71.22 C ATOM 823 O VAL A 57 -0.520 4.980 4.810 1.00 2.21 O ATOM 824 CB VAL A 57 -1.258 6.986 2.504 1.00 41.12 C ATOM 825 CG1 VAL A 57 -2.098 7.601 3.624 1.00 44.11 C ATOM 826 CG2 VAL A 57 0.125 7.659 2.555 1.00 74.33 C ATOM 0 H VAL A 57 -2.762 4.638 3.636 1.00 32.11 H new ATOM 0 HA VAL A 57 -0.727 5.203 1.582 1.00 0.43 H new ATOM 0 HB VAL A 57 -1.743 7.178 1.547 1.00 41.12 H new ATOM 0 HG11 VAL A 57 -2.103 8.686 3.521 1.00 44.11 H new ATOM 0 HG12 VAL A 57 -3.119 7.226 3.561 1.00 44.11 H new ATOM 0 HG13 VAL A 57 -1.671 7.330 4.590 1.00 44.11 H new ATOM 0 HG21 VAL A 57 0.004 8.742 2.522 1.00 74.33 H new ATOM 0 HG22 VAL A 57 0.633 7.378 3.478 1.00 74.33 H new ATOM 0 HG23 VAL A 57 0.719 7.334 1.701 1.00 74.33 H new ATOM 836 N TYR A 58 0.748 4.144 3.142 1.00 34.24 N ATOM 837 CA TYR A 58 1.894 3.703 3.917 1.00 23.33 C ATOM 838 C TYR A 58 3.001 4.743 3.783 1.00 41.22 C ATOM 839 O TYR A 58 3.325 5.170 2.670 1.00 41.45 O ATOM 840 CB TYR A 58 2.372 2.356 3.368 1.00 33.41 C ATOM 841 CG TYR A 58 3.595 1.774 4.054 1.00 42.43 C ATOM 842 CD1 TYR A 58 3.508 1.340 5.389 1.00 2.33 C ATOM 843 CD2 TYR A 58 4.782 1.547 3.326 1.00 0.34 C ATOM 844 CE1 TYR A 58 4.581 0.652 5.982 1.00 22.21 C ATOM 845 CE2 TYR A 58 5.853 0.850 3.915 1.00 71.21 C ATOM 846 CZ TYR A 58 5.752 0.381 5.242 1.00 2.32 C ATOM 847 OH TYR A 58 6.755 -0.368 5.778 1.00 60.44 O ATOM 0 H TYR A 58 0.795 3.848 2.167 1.00 34.24 H new ATOM 0 HA TYR A 58 1.627 3.589 4.968 1.00 23.33 H new ATOM 0 HB2 TYR A 58 1.555 1.639 3.448 1.00 33.41 H new ATOM 0 HB3 TYR A 58 2.592 2.472 2.307 1.00 33.41 H new ATOM 0 HD1 TYR A 58 2.613 1.536 5.961 1.00 2.33 H new ATOM 0 HD2 TYR A 58 4.869 1.910 2.312 1.00 0.34 H new ATOM 0 HE1 TYR A 58 4.509 0.329 7.010 1.00 22.21 H new ATOM 0 HE2 TYR A 58 6.756 0.673 3.349 1.00 71.21 H new ATOM 0 HH TYR A 58 7.219 0.152 6.467 1.00 60.44 H new ATOM 856 N GLU A 59 3.612 5.120 4.899 1.00 40.21 N ATOM 857 CA GLU A 59 4.810 5.943 4.955 1.00 54.35 C ATOM 858 C GLU A 59 5.666 5.480 6.135 1.00 12.43 C ATOM 859 O GLU A 59 5.400 5.801 7.296 1.00 0.50 O ATOM 860 CB GLU A 59 4.476 7.442 5.005 1.00 60.34 C ATOM 861 CG GLU A 59 3.317 7.792 5.943 1.00 3.41 C ATOM 862 CD GLU A 59 3.520 9.140 6.633 1.00 42.54 C ATOM 863 OE1 GLU A 59 4.374 9.230 7.541 1.00 32.43 O ATOM 864 OE2 GLU A 59 2.851 10.141 6.279 1.00 34.11 O ATOM 0 H GLU A 59 3.273 4.850 5.823 1.00 40.21 H new ATOM 0 HA GLU A 59 5.386 5.815 4.039 1.00 54.35 H new ATOM 0 HB2 GLU A 59 5.363 7.991 5.320 1.00 60.34 H new ATOM 0 HB3 GLU A 59 4.231 7.783 3.999 1.00 60.34 H new ATOM 0 HG2 GLU A 59 2.386 7.813 5.376 1.00 3.41 H new ATOM 0 HG3 GLU A 59 3.214 7.012 6.697 1.00 3.41 H new ATOM 869 N ASN A 60 6.692 4.691 5.816 1.00 61.12 N ATOM 870 CA ASN A 60 7.659 3.990 6.659 1.00 1.12 C ATOM 871 C ASN A 60 7.065 3.004 7.656 1.00 72.22 C ATOM 872 O ASN A 60 7.525 1.863 7.698 1.00 44.44 O ATOM 873 CB ASN A 60 8.621 4.947 7.374 1.00 44.14 C ATOM 874 CG ASN A 60 9.984 4.299 7.573 1.00 1.53 C ATOM 875 OD1 ASN A 60 10.106 3.231 8.340 1.00 61.04 O flip ATOM 876 ND2 ASN A 60 10.964 4.747 6.991 1.00 64.21 N flip ATOM 0 H ASN A 60 6.889 4.505 4.832 1.00 61.12 H new ATOM 0 HA ASN A 60 8.218 3.389 5.942 1.00 1.12 H new ATOM 0 HB2 ASN A 60 8.730 5.862 6.791 1.00 44.14 H new ATOM 0 HB3 ASN A 60 8.205 5.232 8.340 1.00 44.14 H new ATOM 0 HD21 ASN A 60 10.872 5.572 6.398 1.00 64.21 H new ATOM 0 HD22 ASN A 60 11.872 4.295 7.099 1.00 64.21 H new ATOM 882 N GLU A 61 6.135 3.456 8.493 1.00 1.41 N ATOM 883 CA GLU A 61 5.491 2.712 9.575 1.00 32.30 C ATOM 884 C GLU A 61 4.062 3.214 9.805 1.00 63.25 C ATOM 885 O GLU A 61 3.231 2.471 10.327 1.00 13.13 O ATOM 886 CB GLU A 61 6.258 2.851 10.901 1.00 12.30 C ATOM 887 CG GLU A 61 7.741 2.475 10.814 1.00 13.23 C ATOM 888 CD GLU A 61 8.388 2.267 12.182 1.00 61.22 C ATOM 889 OE1 GLU A 61 7.963 1.381 12.958 1.00 12.52 O ATOM 890 OE2 GLU A 61 9.427 2.908 12.447 1.00 40.41 O ATOM 0 H GLU A 61 5.788 4.413 8.431 1.00 1.41 H new ATOM 0 HA GLU A 61 5.484 1.666 9.268 1.00 32.30 H new ATOM 0 HB2 GLU A 61 6.176 3.881 11.248 1.00 12.30 H new ATOM 0 HB3 GLU A 61 5.779 2.222 11.652 1.00 12.30 H new ATOM 0 HG2 GLU A 61 7.844 1.562 10.227 1.00 13.23 H new ATOM 0 HG3 GLU A 61 8.278 3.259 10.280 1.00 13.23 H new ATOM 895 N ASP A 62 3.766 4.456 9.415 1.00 14.52 N ATOM 896 CA ASP A 62 2.431 5.032 9.436 1.00 33.34 C ATOM 897 C ASP A 62 1.693 4.375 8.279 1.00 55.41 C ATOM 898 O ASP A 62 1.816 4.803 7.131 1.00 51.22 O ATOM 899 CB ASP A 62 2.483 6.558 9.245 1.00 41.35 C ATOM 900 CG ASP A 62 2.503 7.369 10.524 1.00 4.31 C ATOM 901 OD1 ASP A 62 3.629 7.634 11.009 1.00 63.03 O ATOM 902 OD2 ASP A 62 1.434 7.849 10.964 1.00 31.31 O ATOM 0 H ASP A 62 4.474 5.103 9.067 1.00 14.52 H new ATOM 0 HA ASP A 62 1.935 4.858 10.391 1.00 33.34 H new ATOM 0 HB2 ASP A 62 3.371 6.805 8.663 1.00 41.35 H new ATOM 0 HB3 ASP A 62 1.620 6.863 8.654 1.00 41.35 H new ATOM 906 N LEU A 63 0.972 3.290 8.548 1.00 2.43 N ATOM 907 CA LEU A 63 -0.133 2.899 7.696 1.00 62.44 C ATOM 908 C LEU A 63 -1.348 3.709 8.157 1.00 52.34 C ATOM 909 O LEU A 63 -1.824 3.547 9.282 1.00 33.20 O ATOM 910 CB LEU A 63 -0.361 1.375 7.729 1.00 75.25 C ATOM 911 CG LEU A 63 -1.710 1.008 7.088 1.00 40.35 C ATOM 912 CD1 LEU A 63 -1.840 1.456 5.618 1.00 42.34 C ATOM 913 CD2 LEU A 63 -2.059 -0.476 7.206 1.00 43.53 C ATOM 0 H LEU A 63 1.136 2.674 9.344 1.00 2.43 H new ATOM 0 HA LEU A 63 0.073 3.118 6.648 1.00 62.44 H new ATOM 0 HB2 LEU A 63 0.447 0.871 7.199 1.00 75.25 H new ATOM 0 HB3 LEU A 63 -0.335 1.022 8.760 1.00 75.25 H new ATOM 0 HG LEU A 63 -2.433 1.573 7.676 1.00 40.35 H new ATOM 0 HD11 LEU A 63 -2.817 1.163 5.233 1.00 42.34 H new ATOM 0 HD12 LEU A 63 -1.736 2.539 5.557 1.00 42.34 H new ATOM 0 HD13 LEU A 63 -1.059 0.983 5.023 1.00 42.34 H new ATOM 0 HD21 LEU A 63 -3.023 -0.662 6.732 1.00 43.53 H new ATOM 0 HD22 LEU A 63 -1.291 -1.071 6.712 1.00 43.53 H new ATOM 0 HD23 LEU A 63 -2.112 -0.755 8.258 1.00 43.53 H new ATOM 924 N VAL A 64 -1.868 4.564 7.281 1.00 21.01 N ATOM 925 CA VAL A 64 -3.052 5.390 7.490 1.00 21.30 C ATOM 926 C VAL A 64 -4.108 4.969 6.456 1.00 31.30 C ATOM 927 O VAL A 64 -3.799 4.287 5.471 1.00 2.11 O ATOM 928 CB VAL A 64 -2.672 6.886 7.392 1.00 3.54 C ATOM 929 CG1 VAL A 64 -3.758 7.807 7.969 1.00 1.24 C ATOM 930 CG2 VAL A 64 -1.331 7.218 8.077 1.00 60.32 C ATOM 0 H VAL A 64 -1.454 4.706 6.360 1.00 21.01 H new ATOM 0 HA VAL A 64 -3.471 5.246 8.486 1.00 21.30 H new ATOM 0 HB VAL A 64 -2.572 7.071 6.322 1.00 3.54 H new ATOM 0 HG11 VAL A 64 -3.441 8.846 7.876 1.00 1.24 H new ATOM 0 HG12 VAL A 64 -4.688 7.660 7.420 1.00 1.24 H new ATOM 0 HG13 VAL A 64 -3.916 7.569 9.021 1.00 1.24 H new ATOM 0 HG21 VAL A 64 -1.123 8.283 7.972 1.00 60.32 H new ATOM 0 HG22 VAL A 64 -1.390 6.962 9.135 1.00 60.32 H new ATOM 0 HG23 VAL A 64 -0.531 6.644 7.609 1.00 60.32 H new ATOM 940 N TYR A 65 -5.362 5.365 6.663 1.00 71.03 N ATOM 941 CA TYR A 65 -6.368 5.430 5.615 1.00 11.13 C ATOM 942 C TYR A 65 -7.162 6.713 5.794 1.00 55.15 C ATOM 943 O TYR A 65 -7.220 7.293 6.884 1.00 3.14 O ATOM 944 CB TYR A 65 -7.312 4.206 5.620 1.00 74.31 C ATOM 945 CG TYR A 65 -7.899 3.829 6.972 1.00 32.13 C ATOM 946 CD1 TYR A 65 -8.664 4.735 7.734 1.00 31.20 C ATOM 947 CD2 TYR A 65 -7.574 2.579 7.520 1.00 31.13 C ATOM 948 CE1 TYR A 65 -8.948 4.444 9.080 1.00 12.31 C ATOM 949 CE2 TYR A 65 -7.802 2.302 8.872 1.00 12.23 C ATOM 950 CZ TYR A 65 -8.477 3.248 9.668 1.00 53.21 C ATOM 951 OH TYR A 65 -8.637 3.023 10.996 1.00 53.52 O ATOM 0 H TYR A 65 -5.709 5.653 7.578 1.00 71.03 H new ATOM 0 HA TYR A 65 -5.862 5.421 4.650 1.00 11.13 H new ATOM 0 HB2 TYR A 65 -8.133 4.401 4.930 1.00 74.31 H new ATOM 0 HB3 TYR A 65 -6.765 3.347 5.230 1.00 74.31 H new ATOM 0 HD1 TYR A 65 -9.030 5.647 7.287 1.00 31.20 H new ATOM 0 HD2 TYR A 65 -7.141 1.818 6.888 1.00 31.13 H new ATOM 0 HE1 TYR A 65 -9.530 5.138 9.668 1.00 12.31 H new ATOM 0 HE2 TYR A 65 -7.463 1.371 9.302 1.00 12.23 H new ATOM 0 HH TYR A 65 -8.255 2.151 11.228 1.00 53.52 H new ATOM 960 N GLU A 66 -7.906 7.045 4.751 1.00 20.11 N ATOM 961 CA GLU A 66 -9.206 7.671 4.855 1.00 12.50 C ATOM 962 C GLU A 66 -10.079 7.074 3.752 1.00 14.24 C ATOM 963 O GLU A 66 -9.626 6.212 3.000 1.00 14.41 O ATOM 964 CB GLU A 66 -9.075 9.195 4.774 1.00 72.31 C ATOM 965 CG GLU A 66 -9.244 9.852 6.150 1.00 2.20 C ATOM 966 CD GLU A 66 -9.938 11.196 5.995 1.00 64.35 C ATOM 967 OE1 GLU A 66 -9.252 12.193 5.684 1.00 51.14 O ATOM 968 OE2 GLU A 66 -11.182 11.222 6.162 1.00 22.44 O ATOM 0 H GLU A 66 -7.612 6.881 3.788 1.00 20.11 H new ATOM 0 HA GLU A 66 -9.676 7.476 5.819 1.00 12.50 H new ATOM 0 HB2 GLU A 66 -8.099 9.455 4.364 1.00 72.31 H new ATOM 0 HB3 GLU A 66 -9.825 9.589 4.088 1.00 72.31 H new ATOM 0 HG2 GLU A 66 -9.828 9.204 6.804 1.00 2.20 H new ATOM 0 HG3 GLU A 66 -8.270 9.987 6.621 1.00 2.20 H new ATOM 973 N GLU A 67 -11.349 7.451 3.708 1.00 51.51 N ATOM 974 CA GLU A 67 -12.330 6.945 2.761 1.00 33.24 C ATOM 975 C GLU A 67 -12.306 7.808 1.503 1.00 14.23 C ATOM 976 O GLU A 67 -12.086 9.020 1.587 1.00 73.44 O ATOM 977 CB GLU A 67 -13.684 7.013 3.463 1.00 15.51 C ATOM 978 CG GLU A 67 -14.751 6.147 2.799 1.00 75.13 C ATOM 979 CD GLU A 67 -15.951 6.056 3.736 1.00 75.15 C ATOM 980 OE1 GLU A 67 -15.809 5.466 4.831 1.00 75.05 O ATOM 981 OE2 GLU A 67 -17.013 6.635 3.412 1.00 62.15 O ATOM 0 H GLU A 67 -11.737 8.140 4.352 1.00 51.51 H new ATOM 0 HA GLU A 67 -12.120 5.920 2.455 1.00 33.24 H new ATOM 0 HB2 GLU A 67 -13.564 6.699 4.500 1.00 15.51 H new ATOM 0 HB3 GLU A 67 -14.025 8.048 3.481 1.00 15.51 H new ATOM 0 HG2 GLU A 67 -15.048 6.578 1.843 1.00 75.13 H new ATOM 0 HG3 GLU A 67 -14.356 5.152 2.591 1.00 75.13 H new ATOM 986 N GLU A 68 -12.555 7.210 0.341 1.00 62.35 N ATOM 987 CA GLU A 68 -12.607 7.930 -0.922 1.00 43.54 C ATOM 988 C GLU A 68 -14.041 8.451 -1.110 1.00 43.34 C ATOM 989 O GLU A 68 -14.879 7.848 -1.787 1.00 4.20 O ATOM 990 CB GLU A 68 -12.066 7.027 -2.048 1.00 51.34 C ATOM 991 CG GLU A 68 -11.241 7.829 -3.066 1.00 35.33 C ATOM 992 CD GLU A 68 -12.102 8.718 -3.957 1.00 21.33 C ATOM 993 OE1 GLU A 68 -12.677 8.203 -4.944 1.00 21.34 O ATOM 994 OE2 GLU A 68 -12.141 9.940 -3.706 1.00 73.43 O ATOM 0 H GLU A 68 -12.727 6.209 0.252 1.00 62.35 H new ATOM 0 HA GLU A 68 -11.961 8.808 -0.940 1.00 43.54 H new ATOM 0 HB2 GLU A 68 -11.448 6.238 -1.618 1.00 51.34 H new ATOM 0 HB3 GLU A 68 -12.898 6.539 -2.556 1.00 51.34 H new ATOM 0 HG2 GLU A 68 -10.518 8.447 -2.534 1.00 35.33 H new ATOM 0 HG3 GLU A 68 -10.673 7.139 -3.690 1.00 35.33 H new ATOM 999 N VAL A 69 -14.366 9.533 -0.401 1.00 61.03 N ATOM 1000 CA VAL A 69 -15.616 10.269 -0.548 1.00 3.54 C ATOM 1001 C VAL A 69 -15.502 11.074 -1.842 1.00 41.34 C ATOM 1002 O VAL A 69 -14.693 12.005 -1.888 1.00 74.34 O ATOM 1003 CB VAL A 69 -15.848 11.197 0.669 1.00 15.52 C ATOM 1004 CG1 VAL A 69 -17.204 11.909 0.612 1.00 15.24 C ATOM 1005 CG2 VAL A 69 -15.764 10.456 2.011 1.00 23.01 C ATOM 0 H VAL A 69 -13.750 9.929 0.308 1.00 61.03 H new ATOM 0 HA VAL A 69 -16.469 9.591 -0.592 1.00 3.54 H new ATOM 0 HB VAL A 69 -15.042 11.929 0.609 1.00 15.52 H new ATOM 0 HG11 VAL A 69 -17.317 12.547 1.488 1.00 15.24 H new ATOM 0 HG12 VAL A 69 -17.257 12.518 -0.290 1.00 15.24 H new ATOM 0 HG13 VAL A 69 -18.004 11.168 0.597 1.00 15.24 H new ATOM 0 HG21 VAL A 69 -15.935 11.159 2.826 1.00 23.01 H new ATOM 0 HG22 VAL A 69 -16.522 9.673 2.042 1.00 23.01 H new ATOM 0 HG23 VAL A 69 -14.776 10.009 2.119 1.00 23.01 H new ATOM 1015 N LEU A 70 -16.288 10.739 -2.867 1.00 55.25 N ATOM 1016 CA LEU A 70 -16.476 11.619 -4.020 1.00 72.35 C ATOM 1017 C LEU A 70 -17.160 12.865 -3.509 1.00 32.44 C ATOM 1018 O LEU A 70 -18.279 12.722 -2.966 1.00 0.24 O ATOM 1019 CB LEU A 70 -17.347 10.972 -5.120 1.00 33.24 C ATOM 1020 CG LEU A 70 -16.631 10.075 -6.143 1.00 74.13 C ATOM 1021 CD1 LEU A 70 -15.624 10.855 -6.993 1.00 34.44 C ATOM 1022 CD2 LEU A 70 -15.946 8.884 -5.477 1.00 22.03 C ATOM 0 H LEU A 70 -16.806 9.862 -2.921 1.00 55.25 H new ATOM 0 HA LEU A 70 -15.507 11.832 -4.472 1.00 72.35 H new ATOM 0 HB2 LEU A 70 -18.121 10.379 -4.633 1.00 33.24 H new ATOM 0 HB3 LEU A 70 -17.852 11.770 -5.665 1.00 33.24 H new ATOM 0 HG LEU A 70 -17.408 9.695 -6.806 1.00 74.13 H new ATOM 0 HD11 LEU A 70 -15.144 10.179 -7.700 1.00 34.44 H new ATOM 0 HD12 LEU A 70 -16.142 11.643 -7.539 1.00 34.44 H new ATOM 0 HD13 LEU A 70 -14.868 11.299 -6.345 1.00 34.44 H new ATOM 0 HD21 LEU A 70 -15.453 8.277 -6.236 1.00 22.03 H new ATOM 0 HD22 LEU A 70 -15.206 9.243 -4.762 1.00 22.03 H new ATOM 0 HD23 LEU A 70 -16.690 8.281 -4.957 1.00 22.03 H new TER 1033 LEU A 70