USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 776 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 62 SER OG : rot -150:sc= 0.229 USER MOD Set 1.2: A 90 ASN : amide:sc= 0.982 K(o=1.2,f=-1.5) USER MOD Set 2.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 GLN : amide:sc= 1.51 K(o=1.5,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 64:sc= 1.16 USER MOD Single : A 11 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0461 X(o=-0.046,f=-0.046) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -165:sc= 1.11 USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 2.29 (180deg=2.24) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -150:sc= 0.185 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -70:sc= 1.2 USER MOD Single : A 91 GLN : amide:sc= 0.0748 K(o=0.075,f=-0.85) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 55:sc= 1.26 USER MOD Single : A 98 CYS SG : rot -30:sc= 0.0254 USER MOD Single : A 100 THR OG1 : rot -40:sc= 0.0612 USER MOD Single : A 101 HIS : no HE2:sc= 0.578 K(o=0.58,f=-3.8!) USER MOD Single : A 106 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -131:sc= 0.885 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N ALA A 3 16.316 -3.192 11.341 1.00 1.65 N ATOM 28 CA ALA A 3 15.099 -3.259 10.527 1.00 1.45 C ATOM 29 C ALA A 3 13.865 -2.551 11.131 1.00 1.21 C ATOM 30 O ALA A 3 12.897 -2.286 10.418 1.00 1.12 O ATOM 31 CB ALA A 3 14.805 -4.742 10.259 1.00 1.71 C ATOM 0 HA ALA A 3 15.289 -2.708 9.606 1.00 1.45 H new ATOM 0 HB1 ALA A 3 13.903 -4.830 9.654 1.00 1.71 H new ATOM 0 HB2 ALA A 3 15.645 -5.189 9.726 1.00 1.71 H new ATOM 0 HB3 ALA A 3 14.659 -5.261 11.206 1.00 1.71 H new ATOM 37 N LEU A 4 13.871 -2.212 12.424 1.00 1.30 N ATOM 38 CA LEU A 4 12.679 -1.744 13.144 1.00 1.24 C ATOM 39 C LEU A 4 12.181 -0.362 12.685 1.00 1.11 C ATOM 40 O LEU A 4 10.975 -0.113 12.708 1.00 1.17 O ATOM 41 CB LEU A 4 13.002 -1.758 14.649 1.00 1.49 C ATOM 42 CG LEU A 4 11.802 -1.546 15.585 1.00 1.56 C ATOM 43 CD1 LEU A 4 10.915 -2.786 15.621 1.00 1.60 C ATOM 44 CD2 LEU A 4 12.309 -1.280 16.999 1.00 1.93 C ATOM 0 H LEU A 4 14.708 -2.254 13.006 1.00 1.30 H new ATOM 0 HA LEU A 4 11.853 -2.419 12.920 1.00 1.24 H new ATOM 0 HB2 LEU A 4 13.468 -2.713 14.894 1.00 1.49 H new ATOM 0 HB3 LEU A 4 13.740 -0.982 14.852 1.00 1.49 H new ATOM 0 HG LEU A 4 11.223 -0.700 15.213 1.00 1.56 H new ATOM 0 HD11 LEU A 4 10.073 -2.611 16.290 1.00 1.60 H new ATOM 0 HD12 LEU A 4 10.544 -2.997 14.618 1.00 1.60 H new ATOM 0 HD13 LEU A 4 11.494 -3.637 15.980 1.00 1.60 H new ATOM 0 HD21 LEU A 4 11.461 -1.129 17.667 1.00 1.93 H new ATOM 0 HD22 LEU A 4 12.894 -2.133 17.342 1.00 1.93 H new ATOM 0 HD23 LEU A 4 12.935 -0.387 16.999 1.00 1.93 H new ATOM 56 N ALA A 5 13.061 0.544 12.245 1.00 1.09 N ATOM 57 CA ALA A 5 12.651 1.788 11.588 1.00 1.08 C ATOM 58 C ALA A 5 12.210 1.594 10.120 1.00 0.84 C ATOM 59 O ALA A 5 11.505 2.445 9.567 1.00 0.89 O ATOM 60 CB ALA A 5 13.805 2.788 11.694 1.00 1.34 C ATOM 0 H ALA A 5 14.071 0.436 12.334 1.00 1.09 H new ATOM 0 HA ALA A 5 11.766 2.168 12.099 1.00 1.08 H new ATOM 0 HB1 ALA A 5 13.522 3.723 11.211 1.00 1.34 H new ATOM 0 HB2 ALA A 5 14.029 2.975 12.744 1.00 1.34 H new ATOM 0 HB3 ALA A 5 14.688 2.379 11.203 1.00 1.34 H new ATOM 66 N LYS A 6 12.618 0.501 9.455 1.00 0.83 N ATOM 67 CA LYS A 6 12.442 0.319 8.005 1.00 0.80 C ATOM 68 C LYS A 6 10.975 0.126 7.644 1.00 0.75 C ATOM 69 O LYS A 6 10.487 0.756 6.713 1.00 0.77 O ATOM 70 CB LYS A 6 13.326 -0.846 7.531 1.00 1.06 C ATOM 71 CG LYS A 6 13.418 -0.931 6.001 1.00 1.26 C ATOM 72 CD LYS A 6 14.531 -1.905 5.602 1.00 1.79 C ATOM 73 CE LYS A 6 14.697 -1.937 4.084 1.00 2.00 C ATOM 74 NZ LYS A 6 15.838 -2.791 3.691 1.00 2.63 N ATOM 0 H LYS A 6 13.082 -0.285 9.910 1.00 0.83 H new ATOM 0 HA LYS A 6 12.761 1.222 7.483 1.00 0.80 H new ATOM 0 HB2 LYS A 6 14.327 -0.730 7.946 1.00 1.06 H new ATOM 0 HB3 LYS A 6 12.926 -1.782 7.920 1.00 1.06 H new ATOM 0 HG2 LYS A 6 12.466 -1.264 5.588 1.00 1.26 H new ATOM 0 HG3 LYS A 6 13.619 0.056 5.584 1.00 1.26 H new ATOM 0 HD2 LYS A 6 15.469 -1.606 6.070 1.00 1.79 H new ATOM 0 HD3 LYS A 6 14.296 -2.904 5.969 1.00 1.79 H new ATOM 0 HE2 LYS A 6 13.783 -2.311 3.623 1.00 2.00 H new ATOM 0 HE3 LYS A 6 14.851 -0.925 3.711 1.00 2.00 H new ATOM 0 HZ1 LYS A 6 15.928 -2.795 2.655 1.00 2.63 H new ATOM 0 HZ2 LYS A 6 16.712 -2.418 4.113 1.00 2.63 H new ATOM 0 HZ3 LYS A 6 15.677 -3.762 4.028 1.00 2.63 H new ATOM 88 N LEU A 7 10.245 -0.653 8.445 1.00 0.80 N ATOM 89 CA LEU A 7 8.807 -0.897 8.274 1.00 0.86 C ATOM 90 C LEU A 7 7.992 0.408 8.281 1.00 0.91 C ATOM 91 O LEU A 7 7.135 0.589 7.426 1.00 1.02 O ATOM 92 CB LEU A 7 8.318 -1.848 9.383 1.00 0.90 C ATOM 93 CG LEU A 7 8.577 -3.358 9.207 1.00 0.91 C ATOM 94 CD1 LEU A 7 7.846 -3.929 7.988 1.00 0.96 C ATOM 95 CD2 LEU A 7 10.053 -3.718 9.074 1.00 1.01 C ATOM 0 H LEU A 7 10.642 -1.142 9.247 1.00 0.80 H new ATOM 0 HA LEU A 7 8.654 -1.358 7.298 1.00 0.86 H new ATOM 0 HB2 LEU A 7 8.782 -1.536 10.319 1.00 0.90 H new ATOM 0 HB3 LEU A 7 7.243 -1.704 9.496 1.00 0.90 H new ATOM 0 HG LEU A 7 8.192 -3.800 10.126 1.00 0.91 H new ATOM 0 HD11 LEU A 7 8.057 -4.995 7.903 1.00 0.96 H new ATOM 0 HD12 LEU A 7 6.773 -3.780 8.105 1.00 0.96 H new ATOM 0 HD13 LEU A 7 8.187 -3.419 7.087 1.00 0.96 H new ATOM 0 HD21 LEU A 7 10.155 -4.797 8.954 1.00 1.01 H new ATOM 0 HD22 LEU A 7 10.473 -3.214 8.204 1.00 1.01 H new ATOM 0 HD23 LEU A 7 10.587 -3.401 9.970 1.00 1.01 H new ATOM 107 N ILE A 8 8.275 1.347 9.191 1.00 0.94 N ATOM 108 CA ILE A 8 7.602 2.660 9.195 1.00 1.05 C ATOM 109 C ILE A 8 8.070 3.552 8.029 1.00 0.92 C ATOM 110 O ILE A 8 7.274 4.299 7.459 1.00 0.94 O ATOM 111 CB ILE A 8 7.751 3.349 10.571 1.00 1.26 C ATOM 112 CG1 ILE A 8 7.156 2.493 11.716 1.00 1.44 C ATOM 113 CG2 ILE A 8 7.103 4.746 10.559 1.00 1.42 C ATOM 114 CD1 ILE A 8 5.642 2.231 11.648 1.00 1.60 C ATOM 0 H ILE A 8 8.963 1.227 9.934 1.00 0.94 H new ATOM 0 HA ILE A 8 6.537 2.493 9.033 1.00 1.05 H new ATOM 0 HB ILE A 8 8.819 3.457 10.759 1.00 1.26 H new ATOM 0 HG12 ILE A 8 7.670 1.532 11.729 1.00 1.44 H new ATOM 0 HG13 ILE A 8 7.377 2.985 12.663 1.00 1.44 H new ATOM 0 HG21 ILE A 8 7.221 5.210 11.538 1.00 1.42 H new ATOM 0 HG22 ILE A 8 7.587 5.365 9.803 1.00 1.42 H new ATOM 0 HG23 ILE A 8 6.042 4.653 10.327 1.00 1.42 H new ATOM 0 HD11 ILE A 8 5.339 1.622 12.500 1.00 1.60 H new ATOM 0 HD12 ILE A 8 5.107 3.180 11.672 1.00 1.60 H new ATOM 0 HD13 ILE A 8 5.405 1.704 10.724 1.00 1.60 H new ATOM 126 N SER A 9 9.339 3.446 7.627 1.00 0.85 N ATOM 127 CA SER A 9 9.935 4.244 6.542 1.00 0.82 C ATOM 128 C SER A 9 9.508 3.774 5.139 1.00 0.82 C ATOM 129 O SER A 9 9.588 4.526 4.162 1.00 0.95 O ATOM 130 CB SER A 9 11.460 4.211 6.669 1.00 0.89 C ATOM 131 OG SER A 9 11.855 4.590 7.977 1.00 1.12 O ATOM 0 H SER A 9 9.997 2.792 8.052 1.00 0.85 H new ATOM 0 HA SER A 9 9.566 5.264 6.649 1.00 0.82 H new ATOM 0 HB2 SER A 9 11.828 3.209 6.447 1.00 0.89 H new ATOM 0 HB3 SER A 9 11.907 4.884 5.938 1.00 0.89 H new ATOM 0 HG SER A 9 11.523 3.932 8.623 1.00 1.12 H new ATOM 137 N LEU A 10 9.026 2.531 5.041 1.00 0.85 N ATOM 138 CA LEU A 10 8.449 1.911 3.848 1.00 1.03 C ATOM 139 C LEU A 10 7.109 2.533 3.438 1.00 1.11 C ATOM 140 O LEU A 10 6.843 2.622 2.239 1.00 1.24 O ATOM 141 CB LEU A 10 8.315 0.397 4.110 1.00 1.15 C ATOM 142 CG LEU A 10 9.522 -0.390 3.575 1.00 1.31 C ATOM 143 CD1 LEU A 10 9.664 -1.725 4.298 1.00 2.07 C ATOM 144 CD2 LEU A 10 9.342 -0.696 2.088 1.00 1.11 C ATOM 0 H LEU A 10 9.029 1.896 5.839 1.00 0.85 H new ATOM 0 HA LEU A 10 9.115 2.090 3.004 1.00 1.03 H new ATOM 0 HB2 LEU A 10 8.214 0.222 5.181 1.00 1.15 H new ATOM 0 HB3 LEU A 10 7.404 0.027 3.640 1.00 1.15 H new ATOM 0 HG LEU A 10 10.406 0.226 3.739 1.00 1.31 H new ATOM 0 HD11 LEU A 10 10.525 -2.264 3.902 1.00 2.07 H new ATOM 0 HD12 LEU A 10 9.806 -1.548 5.364 1.00 2.07 H new ATOM 0 HD13 LEU A 10 8.763 -2.319 4.145 1.00 2.07 H new ATOM 0 HD21 LEU A 10 10.205 -1.254 1.724 1.00 1.11 H new ATOM 0 HD22 LEU A 10 8.440 -1.290 1.945 1.00 1.11 H new ATOM 0 HD23 LEU A 10 9.253 0.238 1.533 1.00 1.11 H new ATOM 156 N GLN A 11 6.285 3.018 4.375 1.00 1.14 N ATOM 157 CA GLN A 11 5.028 3.683 4.016 1.00 1.28 C ATOM 158 C GLN A 11 5.258 4.879 3.083 1.00 1.46 C ATOM 159 O GLN A 11 6.111 5.740 3.331 1.00 1.45 O ATOM 160 CB GLN A 11 4.249 4.153 5.250 1.00 1.39 C ATOM 161 CG GLN A 11 3.655 3.010 6.073 1.00 1.38 C ATOM 162 CD GLN A 11 2.712 3.590 7.111 1.00 1.91 C ATOM 163 OE1 GLN A 11 3.084 3.982 8.211 1.00 2.08 O ATOM 164 NE2 GLN A 11 1.459 3.753 6.770 1.00 3.43 N ATOM 0 H GLN A 11 6.464 2.963 5.378 1.00 1.14 H new ATOM 0 HA GLN A 11 4.436 2.932 3.492 1.00 1.28 H new ATOM 0 HB2 GLN A 11 4.912 4.740 5.885 1.00 1.39 H new ATOM 0 HB3 GLN A 11 3.444 4.815 4.930 1.00 1.39 H new ATOM 0 HG2 GLN A 11 3.121 2.316 5.424 1.00 1.38 H new ATOM 0 HG3 GLN A 11 4.449 2.444 6.560 1.00 1.38 H new ATOM 0 HE21 GLN A 11 1.133 3.433 5.858 1.00 3.43 H new ATOM 0 HE22 GLN A 11 0.809 4.200 7.416 1.00 3.43 H new ATOM 173 N ALA A 12 4.477 4.933 2.005 1.00 1.76 N ATOM 174 CA ALA A 12 4.396 6.110 1.153 1.00 1.82 C ATOM 175 C ALA A 12 3.695 7.248 1.915 1.00 1.82 C ATOM 176 O ALA A 12 2.786 7.002 2.710 1.00 2.30 O ATOM 177 CB ALA A 12 3.673 5.725 -0.138 1.00 2.03 C ATOM 0 H ALA A 12 3.884 4.160 1.701 1.00 1.76 H new ATOM 0 HA ALA A 12 5.388 6.475 0.885 1.00 1.82 H new ATOM 0 HB1 ALA A 12 3.603 6.596 -0.789 1.00 2.03 H new ATOM 0 HB2 ALA A 12 4.229 4.936 -0.645 1.00 2.03 H new ATOM 0 HB3 ALA A 12 2.671 5.368 0.099 1.00 2.03 H new ATOM 183 N THR A 13 4.115 8.489 1.684 1.00 1.89 N ATOM 184 CA THR A 13 3.627 9.665 2.433 1.00 1.85 C ATOM 185 C THR A 13 2.254 10.166 1.984 1.00 1.66 C ATOM 186 O THR A 13 1.576 10.863 2.736 1.00 1.63 O ATOM 187 CB THR A 13 4.615 10.828 2.306 1.00 2.01 C ATOM 188 OG1 THR A 13 5.003 11.001 0.961 1.00 3.15 O ATOM 189 CG2 THR A 13 5.894 10.606 3.109 1.00 3.10 C ATOM 0 H THR A 13 4.807 8.718 0.970 1.00 1.89 H new ATOM 0 HA THR A 13 3.536 9.325 3.465 1.00 1.85 H new ATOM 0 HB THR A 13 4.092 11.703 2.691 1.00 2.01 H new ATOM 0 HG1 THR A 13 5.633 11.749 0.896 1.00 3.15 H new ATOM 0 HG21 THR A 13 6.557 11.462 2.981 1.00 3.10 H new ATOM 0 HG22 THR A 13 5.646 10.493 4.164 1.00 3.10 H new ATOM 0 HG23 THR A 13 6.394 9.704 2.755 1.00 3.10 H new ATOM 197 N GLU A 14 1.838 9.825 0.763 1.00 1.58 N ATOM 198 CA GLU A 14 0.657 10.385 0.099 1.00 1.48 C ATOM 199 C GLU A 14 -0.210 9.351 -0.650 1.00 1.32 C ATOM 200 O GLU A 14 0.252 8.265 -1.019 1.00 1.36 O ATOM 201 CB GLU A 14 1.090 11.537 -0.826 1.00 1.65 C ATOM 202 CG GLU A 14 2.095 11.125 -1.914 1.00 1.78 C ATOM 203 CD GLU A 14 2.197 12.184 -3.016 1.00 2.57 C ATOM 204 OE1 GLU A 14 1.280 12.233 -3.868 1.00 3.97 O ATOM 205 OE2 GLU A 14 3.155 12.995 -3.050 1.00 3.02 O ATOM 0 H GLU A 14 2.325 9.134 0.193 1.00 1.58 H new ATOM 0 HA GLU A 14 0.004 10.763 0.886 1.00 1.48 H new ATOM 0 HB2 GLU A 14 0.205 11.957 -1.304 1.00 1.65 H new ATOM 0 HB3 GLU A 14 1.531 12.329 -0.220 1.00 1.65 H new ATOM 0 HG2 GLU A 14 3.076 10.971 -1.465 1.00 1.78 H new ATOM 0 HG3 GLU A 14 1.791 10.173 -2.350 1.00 1.78 H new ATOM 212 N ALA A 15 -1.481 9.709 -0.880 1.00 1.17 N ATOM 213 CA ALA A 15 -2.495 8.924 -1.589 1.00 1.01 C ATOM 214 C ALA A 15 -3.414 9.805 -2.476 1.00 0.92 C ATOM 215 O ALA A 15 -3.370 11.036 -2.405 1.00 1.14 O ATOM 216 CB ALA A 15 -3.313 8.152 -0.541 1.00 0.87 C ATOM 0 H ALA A 15 -1.847 10.605 -0.557 1.00 1.17 H new ATOM 0 HA ALA A 15 -1.999 8.234 -2.271 1.00 1.01 H new ATOM 0 HB1 ALA A 15 -4.077 7.558 -1.042 1.00 0.87 H new ATOM 0 HB2 ALA A 15 -2.653 7.493 0.023 1.00 0.87 H new ATOM 0 HB3 ALA A 15 -3.790 8.857 0.140 1.00 0.87 H new ATOM 222 N THR A 16 -4.272 9.158 -3.274 1.00 0.79 N ATOM 223 CA THR A 16 -5.272 9.782 -4.168 1.00 0.74 C ATOM 224 C THR A 16 -6.650 9.137 -3.991 1.00 0.64 C ATOM 225 O THR A 16 -6.888 8.048 -4.511 1.00 0.72 O ATOM 226 CB THR A 16 -4.854 9.698 -5.648 1.00 0.96 C ATOM 227 OG1 THR A 16 -3.523 10.135 -5.812 1.00 1.20 O ATOM 228 CG2 THR A 16 -5.735 10.564 -6.549 1.00 0.89 C ATOM 0 H THR A 16 -4.294 8.139 -3.321 1.00 0.79 H new ATOM 0 HA THR A 16 -5.328 10.833 -3.886 1.00 0.74 H new ATOM 0 HB THR A 16 -4.962 8.652 -5.935 1.00 0.96 H new ATOM 0 HG1 THR A 16 -3.273 10.074 -6.758 1.00 1.20 H new ATOM 0 HG21 THR A 16 -5.401 10.471 -7.582 1.00 0.89 H new ATOM 0 HG22 THR A 16 -6.771 10.233 -6.471 1.00 0.89 H new ATOM 0 HG23 THR A 16 -5.662 11.606 -6.236 1.00 0.89 H new ATOM 236 N ILE A 17 -7.563 9.797 -3.274 1.00 0.55 N ATOM 237 CA ILE A 17 -8.939 9.333 -3.023 1.00 0.57 C ATOM 238 C ILE A 17 -9.812 9.644 -4.245 1.00 0.67 C ATOM 239 O ILE A 17 -9.843 10.794 -4.693 1.00 0.76 O ATOM 240 CB ILE A 17 -9.512 9.972 -1.729 1.00 0.56 C ATOM 241 CG1 ILE A 17 -8.621 9.649 -0.508 1.00 0.63 C ATOM 242 CG2 ILE A 17 -10.960 9.495 -1.490 1.00 0.66 C ATOM 243 CD1 ILE A 17 -9.083 10.248 0.825 1.00 0.70 C ATOM 0 H ILE A 17 -7.364 10.697 -2.837 1.00 0.55 H new ATOM 0 HA ILE A 17 -8.934 8.254 -2.868 1.00 0.57 H new ATOM 0 HB ILE A 17 -9.520 11.054 -1.859 1.00 0.56 H new ATOM 0 HG12 ILE A 17 -8.564 8.566 -0.399 1.00 0.63 H new ATOM 0 HG13 ILE A 17 -7.611 10.003 -0.714 1.00 0.63 H new ATOM 0 HG21 ILE A 17 -11.348 9.952 -0.579 1.00 0.66 H new ATOM 0 HG22 ILE A 17 -11.583 9.786 -2.336 1.00 0.66 H new ATOM 0 HG23 ILE A 17 -10.973 8.410 -1.386 1.00 0.66 H new ATOM 0 HD11 ILE A 17 -8.388 9.960 1.614 1.00 0.70 H new ATOM 0 HD12 ILE A 17 -9.111 11.335 0.745 1.00 0.70 H new ATOM 0 HD13 ILE A 17 -10.079 9.876 1.065 1.00 0.70 H new ATOM 255 N VAL A 18 -10.546 8.658 -4.777 1.00 0.69 N ATOM 256 CA VAL A 18 -11.358 8.807 -6.002 1.00 0.76 C ATOM 257 C VAL A 18 -12.835 8.456 -5.775 1.00 1.02 C ATOM 258 O VAL A 18 -13.171 7.445 -5.149 1.00 1.14 O ATOM 259 CB VAL A 18 -10.744 8.046 -7.197 1.00 0.76 C ATOM 260 CG1 VAL A 18 -9.309 8.521 -7.472 1.00 2.18 C ATOM 261 CG2 VAL A 18 -10.698 6.524 -7.023 1.00 2.05 C ATOM 0 H VAL A 18 -10.596 7.724 -4.369 1.00 0.69 H new ATOM 0 HA VAL A 18 -11.339 9.865 -6.263 1.00 0.76 H new ATOM 0 HB VAL A 18 -11.410 8.271 -8.030 1.00 0.76 H new ATOM 0 HG11 VAL A 18 -8.899 7.970 -8.318 1.00 2.18 H new ATOM 0 HG12 VAL A 18 -9.316 9.586 -7.702 1.00 2.18 H new ATOM 0 HG13 VAL A 18 -8.692 8.344 -6.591 1.00 2.18 H new ATOM 0 HG21 VAL A 18 -10.252 6.070 -7.908 1.00 2.05 H new ATOM 0 HG22 VAL A 18 -10.099 6.276 -6.147 1.00 2.05 H new ATOM 0 HG23 VAL A 18 -11.710 6.142 -6.890 1.00 2.05 H new ATOM 271 N THR A 19 -13.729 9.323 -6.260 1.00 1.21 N ATOM 272 CA THR A 19 -15.175 9.296 -5.956 1.00 1.51 C ATOM 273 C THR A 19 -16.058 9.619 -7.167 1.00 1.50 C ATOM 274 O THR A 19 -15.644 10.392 -8.036 1.00 1.38 O ATOM 275 CB THR A 19 -15.486 10.322 -4.849 1.00 1.72 C ATOM 276 OG1 THR A 19 -14.608 10.190 -3.750 1.00 1.79 O ATOM 277 CG2 THR A 19 -16.886 10.175 -4.275 1.00 2.15 C ATOM 0 H THR A 19 -13.468 10.082 -6.889 1.00 1.21 H new ATOM 0 HA THR A 19 -15.403 8.278 -5.641 1.00 1.51 H new ATOM 0 HB THR A 19 -15.376 11.288 -5.342 1.00 1.72 H new ATOM 0 HG1 THR A 19 -14.834 10.857 -3.069 1.00 1.79 H new ATOM 0 HG21 THR A 19 -17.042 10.926 -3.501 1.00 2.15 H new ATOM 0 HG22 THR A 19 -17.621 10.313 -5.068 1.00 2.15 H new ATOM 0 HG23 THR A 19 -17.000 9.180 -3.844 1.00 2.15 H new ATOM 391 N LEU A 27 -17.058 12.954 -11.720 1.00 2.33 N ATOM 392 CA LEU A 27 -15.886 12.216 -11.234 1.00 1.96 C ATOM 393 C LEU A 27 -14.941 13.191 -10.520 1.00 1.77 C ATOM 394 O LEU A 27 -14.481 14.166 -11.124 1.00 2.06 O ATOM 395 CB LEU A 27 -15.192 11.465 -12.388 1.00 2.17 C ATOM 396 CG LEU A 27 -15.792 10.084 -12.708 1.00 2.80 C ATOM 397 CD1 LEU A 27 -17.254 10.136 -13.159 1.00 3.62 C ATOM 398 CD2 LEU A 27 -14.979 9.416 -13.818 1.00 3.21 C ATOM 0 HA LEU A 27 -16.198 11.456 -10.518 1.00 1.96 H new ATOM 0 HB2 LEU A 27 -15.237 12.083 -13.285 1.00 2.17 H new ATOM 0 HB3 LEU A 27 -14.138 11.340 -12.140 1.00 2.17 H new ATOM 0 HG LEU A 27 -15.753 9.518 -11.777 1.00 2.80 H new ATOM 0 HD11 LEU A 27 -17.607 9.126 -13.366 1.00 3.62 H new ATOM 0 HD12 LEU A 27 -17.863 10.578 -12.370 1.00 3.62 H new ATOM 0 HD13 LEU A 27 -17.335 10.741 -14.062 1.00 3.62 H new ATOM 0 HD21 LEU A 27 -15.405 8.438 -14.043 1.00 3.21 H new ATOM 0 HD22 LEU A 27 -15.005 10.038 -14.713 1.00 3.21 H new ATOM 0 HD23 LEU A 27 -13.947 9.295 -13.490 1.00 3.21 H new ATOM 410 N SER A 28 -14.644 12.926 -9.247 1.00 1.48 N ATOM 411 CA SER A 28 -13.842 13.788 -8.369 1.00 1.53 C ATOM 412 C SER A 28 -12.657 13.020 -7.769 1.00 1.22 C ATOM 413 O SER A 28 -12.751 11.814 -7.526 1.00 1.26 O ATOM 414 CB SER A 28 -14.754 14.389 -7.296 1.00 1.87 C ATOM 415 OG SER A 28 -14.105 15.449 -6.624 1.00 2.03 O ATOM 0 H SER A 28 -14.965 12.078 -8.780 1.00 1.48 H new ATOM 0 HA SER A 28 -13.409 14.603 -8.949 1.00 1.53 H new ATOM 0 HB2 SER A 28 -15.673 14.752 -7.755 1.00 1.87 H new ATOM 0 HB3 SER A 28 -15.038 13.618 -6.580 1.00 1.87 H new ATOM 0 HG SER A 28 -14.704 15.821 -5.944 1.00 2.03 H new ATOM 421 N GLU A 29 -11.512 13.686 -7.594 1.00 1.27 N ATOM 422 CA GLU A 29 -10.230 13.073 -7.201 1.00 0.93 C ATOM 423 C GLU A 29 -9.476 14.002 -6.226 1.00 0.79 C ATOM 424 O GLU A 29 -9.271 15.177 -6.536 1.00 0.85 O ATOM 425 CB GLU A 29 -9.373 12.799 -8.460 1.00 1.15 C ATOM 426 CG GLU A 29 -10.037 11.883 -9.508 1.00 1.41 C ATOM 427 CD GLU A 29 -9.220 11.796 -10.804 1.00 1.48 C ATOM 428 OE1 GLU A 29 -8.248 11.010 -10.891 1.00 2.17 O ATOM 429 OE2 GLU A 29 -9.557 12.519 -11.775 1.00 2.34 O ATOM 0 H GLU A 29 -11.444 14.695 -7.724 1.00 1.27 H new ATOM 0 HA GLU A 29 -10.425 12.127 -6.696 1.00 0.93 H new ATOM 0 HB2 GLU A 29 -9.131 13.751 -8.932 1.00 1.15 H new ATOM 0 HB3 GLU A 29 -8.430 12.348 -8.150 1.00 1.15 H new ATOM 0 HG2 GLU A 29 -10.159 10.884 -9.090 1.00 1.41 H new ATOM 0 HG3 GLU A 29 -11.035 12.257 -9.735 1.00 1.41 H new ATOM 436 N GLU A 30 -9.045 13.519 -5.056 1.00 0.71 N ATOM 437 CA GLU A 30 -8.374 14.330 -4.015 1.00 0.67 C ATOM 438 C GLU A 30 -7.009 13.734 -3.644 1.00 0.65 C ATOM 439 O GLU A 30 -6.918 12.531 -3.402 1.00 0.64 O ATOM 440 CB GLU A 30 -9.242 14.491 -2.743 1.00 0.68 C ATOM 441 CG GLU A 30 -10.743 14.687 -3.015 1.00 0.85 C ATOM 442 CD GLU A 30 -11.563 15.239 -1.834 1.00 1.94 C ATOM 443 OE1 GLU A 30 -11.051 15.328 -0.689 1.00 3.28 O ATOM 444 OE2 GLU A 30 -12.751 15.594 -2.058 1.00 2.58 O ATOM 0 H GLU A 30 -9.151 12.539 -4.794 1.00 0.71 H new ATOM 0 HA GLU A 30 -8.226 15.321 -4.444 1.00 0.67 H new ATOM 0 HB2 GLU A 30 -9.112 13.609 -2.116 1.00 0.68 H new ATOM 0 HB3 GLU A 30 -8.874 15.345 -2.173 1.00 0.68 H new ATOM 0 HG2 GLU A 30 -10.856 15.364 -3.861 1.00 0.85 H new ATOM 0 HG3 GLU A 30 -11.169 13.729 -3.314 1.00 0.85 H new ATOM 451 N GLN A 31 -5.946 14.544 -3.561 1.00 0.79 N ATOM 452 CA GLN A 31 -4.614 14.083 -3.138 1.00 0.91 C ATOM 453 C GLN A 31 -4.357 14.425 -1.664 1.00 0.98 C ATOM 454 O GLN A 31 -4.395 15.593 -1.263 1.00 1.10 O ATOM 455 CB GLN A 31 -3.512 14.618 -4.069 1.00 1.15 C ATOM 456 CG GLN A 31 -3.247 13.700 -5.282 1.00 1.51 C ATOM 457 CD GLN A 31 -1.835 13.115 -5.257 1.00 2.16 C ATOM 458 OE1 GLN A 31 -0.997 13.383 -6.111 1.00 2.90 O ATOM 459 NE2 GLN A 31 -1.497 12.316 -4.271 1.00 2.37 N ATOM 0 H GLN A 31 -5.983 15.538 -3.785 1.00 0.79 H new ATOM 0 HA GLN A 31 -4.588 12.997 -3.221 1.00 0.91 H new ATOM 0 HB2 GLN A 31 -3.795 15.609 -4.425 1.00 1.15 H new ATOM 0 HB3 GLN A 31 -2.589 14.735 -3.501 1.00 1.15 H new ATOM 0 HG2 GLN A 31 -3.976 12.889 -5.290 1.00 1.51 H new ATOM 0 HG3 GLN A 31 -3.389 14.265 -6.203 1.00 1.51 H new ATOM 0 HE21 GLN A 31 -2.178 12.080 -3.550 1.00 2.37 H new ATOM 0 HE22 GLN A 31 -0.553 11.932 -4.227 1.00 2.37 H new ATOM 468 N VAL A 32 -4.051 13.401 -0.866 1.00 1.02 N ATOM 469 CA VAL A 32 -4.002 13.455 0.605 1.00 1.13 C ATOM 470 C VAL A 32 -2.700 12.886 1.177 1.00 1.26 C ATOM 471 O VAL A 32 -1.937 12.218 0.479 1.00 1.28 O ATOM 472 CB VAL A 32 -5.220 12.729 1.219 1.00 1.16 C ATOM 473 CG1 VAL A 32 -6.540 13.317 0.715 1.00 1.07 C ATOM 474 CG2 VAL A 32 -5.228 11.218 0.960 1.00 1.18 C ATOM 0 H VAL A 32 -3.822 12.478 -1.234 1.00 1.02 H new ATOM 0 HA VAL A 32 -4.036 14.509 0.879 1.00 1.13 H new ATOM 0 HB VAL A 32 -5.125 12.887 2.293 1.00 1.16 H new ATOM 0 HG11 VAL A 32 -7.374 12.781 1.168 1.00 1.07 H new ATOM 0 HG12 VAL A 32 -6.596 14.371 0.986 1.00 1.07 H new ATOM 0 HG13 VAL A 32 -6.592 13.218 -0.369 1.00 1.07 H new ATOM 0 HG21 VAL A 32 -6.111 10.775 1.420 1.00 1.18 H new ATOM 0 HG22 VAL A 32 -5.246 11.033 -0.114 1.00 1.18 H new ATOM 0 HG23 VAL A 32 -4.332 10.770 1.390 1.00 1.18 H new ATOM 484 N ASP A 33 -2.453 13.171 2.453 1.00 1.40 N ATOM 485 CA ASP A 33 -1.398 12.552 3.269 1.00 1.51 C ATOM 486 C ASP A 33 -1.861 11.165 3.777 1.00 1.53 C ATOM 487 O ASP A 33 -3.057 10.950 3.997 1.00 1.51 O ATOM 488 CB ASP A 33 -1.045 13.517 4.418 1.00 1.61 C ATOM 489 CG ASP A 33 0.265 13.217 5.157 1.00 2.45 C ATOM 490 OD1 ASP A 33 0.451 12.114 5.715 1.00 3.69 O ATOM 491 OD2 ASP A 33 1.113 14.135 5.260 1.00 2.83 O ATOM 0 H ASP A 33 -2.997 13.862 2.970 1.00 1.40 H new ATOM 0 HA ASP A 33 -0.499 12.380 2.677 1.00 1.51 H new ATOM 0 HB2 ASP A 33 -0.991 14.528 4.015 1.00 1.61 H new ATOM 0 HB3 ASP A 33 -1.860 13.505 5.141 1.00 1.61 H new ATOM 496 N VAL A 34 -0.939 10.224 4.007 1.00 1.57 N ATOM 497 CA VAL A 34 -1.227 8.901 4.603 1.00 1.49 C ATOM 498 C VAL A 34 -1.897 8.994 5.986 1.00 1.51 C ATOM 499 O VAL A 34 -2.636 8.093 6.394 1.00 1.43 O ATOM 500 CB VAL A 34 0.048 8.030 4.628 1.00 1.52 C ATOM 501 CG1 VAL A 34 1.180 8.621 5.474 1.00 1.76 C ATOM 502 CG2 VAL A 34 -0.220 6.604 5.127 1.00 1.49 C ATOM 0 H VAL A 34 0.047 10.356 3.783 1.00 1.57 H new ATOM 0 HA VAL A 34 -1.960 8.411 3.962 1.00 1.49 H new ATOM 0 HB VAL A 34 0.364 8.005 3.585 1.00 1.52 H new ATOM 0 HG11 VAL A 34 2.042 7.955 5.444 1.00 1.76 H new ATOM 0 HG12 VAL A 34 1.461 9.596 5.076 1.00 1.76 H new ATOM 0 HG13 VAL A 34 0.843 8.733 6.505 1.00 1.76 H new ATOM 0 HG21 VAL A 34 0.711 6.037 5.124 1.00 1.49 H new ATOM 0 HG22 VAL A 34 -0.618 6.642 6.141 1.00 1.49 H new ATOM 0 HG23 VAL A 34 -0.943 6.119 4.471 1.00 1.49 H new ATOM 512 N GLU A 35 -1.728 10.111 6.693 1.00 1.70 N ATOM 513 CA GLU A 35 -2.425 10.414 7.952 1.00 1.83 C ATOM 514 C GLU A 35 -3.940 10.702 7.774 1.00 1.74 C ATOM 515 O GLU A 35 -4.715 10.581 8.726 1.00 1.86 O ATOM 516 CB GLU A 35 -1.657 11.571 8.614 1.00 2.15 C ATOM 517 CG GLU A 35 -2.035 11.819 10.079 1.00 2.23 C ATOM 518 CD GLU A 35 -0.888 12.513 10.822 1.00 2.93 C ATOM 519 OE1 GLU A 35 -0.735 13.756 10.701 1.00 3.78 O ATOM 520 OE2 GLU A 35 -0.122 11.813 11.533 1.00 3.51 O ATOM 0 H GLU A 35 -1.088 10.851 6.403 1.00 1.70 H new ATOM 0 HA GLU A 35 -2.422 9.537 8.600 1.00 1.83 H new ATOM 0 HB2 GLU A 35 -0.589 11.363 8.556 1.00 2.15 H new ATOM 0 HB3 GLU A 35 -1.835 12.483 8.045 1.00 2.15 H new ATOM 0 HG2 GLU A 35 -2.933 12.435 10.129 1.00 2.23 H new ATOM 0 HG3 GLU A 35 -2.270 10.872 10.565 1.00 2.23 H new ATOM 527 N LEU A 36 -4.396 11.017 6.555 1.00 1.59 N ATOM 528 CA LEU A 36 -5.745 11.538 6.253 1.00 1.53 C ATOM 529 C LEU A 36 -6.666 10.565 5.492 1.00 1.38 C ATOM 530 O LEU A 36 -7.845 10.872 5.287 1.00 1.38 O ATOM 531 CB LEU A 36 -5.591 12.870 5.489 1.00 1.51 C ATOM 532 CG LEU A 36 -4.678 13.920 6.154 1.00 1.63 C ATOM 533 CD1 LEU A 36 -4.514 15.131 5.235 1.00 1.73 C ATOM 534 CD2 LEU A 36 -5.206 14.395 7.503 1.00 1.72 C ATOM 0 H LEU A 36 -3.820 10.914 5.720 1.00 1.59 H new ATOM 0 HA LEU A 36 -6.250 11.685 7.208 1.00 1.53 H new ATOM 0 HB2 LEU A 36 -5.201 12.654 4.494 1.00 1.51 H new ATOM 0 HB3 LEU A 36 -6.580 13.308 5.356 1.00 1.51 H new ATOM 0 HG LEU A 36 -3.718 13.432 6.324 1.00 1.63 H new ATOM 0 HD11 LEU A 36 -3.868 15.866 5.714 1.00 1.73 H new ATOM 0 HD12 LEU A 36 -4.067 14.815 4.292 1.00 1.73 H new ATOM 0 HD13 LEU A 36 -5.490 15.577 5.043 1.00 1.73 H new ATOM 0 HD21 LEU A 36 -4.522 15.133 7.922 1.00 1.72 H new ATOM 0 HD22 LEU A 36 -6.189 14.846 7.370 1.00 1.72 H new ATOM 0 HD23 LEU A 36 -5.285 13.546 8.182 1.00 1.72 H new ATOM 546 N VAL A 37 -6.163 9.388 5.115 1.00 1.30 N ATOM 547 CA VAL A 37 -6.919 8.281 4.494 1.00 1.23 C ATOM 548 C VAL A 37 -7.386 7.268 5.553 1.00 1.41 C ATOM 549 O VAL A 37 -6.691 7.043 6.552 1.00 1.97 O ATOM 550 CB VAL A 37 -6.111 7.655 3.332 1.00 1.12 C ATOM 551 CG1 VAL A 37 -4.672 7.288 3.719 1.00 1.28 C ATOM 552 CG2 VAL A 37 -6.760 6.405 2.737 1.00 1.22 C ATOM 0 H VAL A 37 -5.175 9.163 5.236 1.00 1.30 H new ATOM 0 HA VAL A 37 -7.832 8.673 4.046 1.00 1.23 H new ATOM 0 HB VAL A 37 -6.100 8.449 2.585 1.00 1.12 H new ATOM 0 HG11 VAL A 37 -4.163 6.854 2.858 1.00 1.28 H new ATOM 0 HG12 VAL A 37 -4.142 8.184 4.040 1.00 1.28 H new ATOM 0 HG13 VAL A 37 -4.688 6.564 4.534 1.00 1.28 H new ATOM 0 HG21 VAL A 37 -6.138 6.022 1.928 1.00 1.22 H new ATOM 0 HG22 VAL A 37 -6.859 5.643 3.510 1.00 1.22 H new ATOM 0 HG23 VAL A 37 -7.746 6.657 2.347 1.00 1.22 H new ATOM 562 N GLN A 38 -8.569 6.682 5.344 1.00 1.22 N ATOM 563 CA GLN A 38 -9.282 5.752 6.233 1.00 1.19 C ATOM 564 C GLN A 38 -9.609 4.393 5.587 1.00 1.16 C ATOM 565 O GLN A 38 -9.558 4.218 4.369 1.00 1.22 O ATOM 566 CB GLN A 38 -10.573 6.415 6.724 1.00 1.24 C ATOM 567 CG GLN A 38 -10.288 7.461 7.808 1.00 2.30 C ATOM 568 CD GLN A 38 -11.568 8.089 8.281 1.00 2.43 C ATOM 569 OE1 GLN A 38 -12.087 7.853 9.366 1.00 3.40 O ATOM 570 NE2 GLN A 38 -12.152 8.883 7.439 1.00 2.34 N ATOM 0 H GLN A 38 -9.094 6.856 4.487 1.00 1.22 H new ATOM 0 HA GLN A 38 -8.609 5.537 7.063 1.00 1.19 H new ATOM 0 HB2 GLN A 38 -11.083 6.888 5.885 1.00 1.24 H new ATOM 0 HB3 GLN A 38 -11.247 5.655 7.118 1.00 1.24 H new ATOM 0 HG2 GLN A 38 -9.774 6.993 8.647 1.00 2.30 H new ATOM 0 HG3 GLN A 38 -9.622 8.229 7.415 1.00 2.30 H new ATOM 0 HE21 GLN A 38 -11.718 9.078 6.537 1.00 2.34 H new ATOM 0 HE22 GLN A 38 -13.045 9.313 7.679 1.00 2.34 H new ATOM 579 N ARG A 39 -10.003 3.425 6.427 1.00 1.09 N ATOM 580 CA ARG A 39 -10.154 1.984 6.093 1.00 1.29 C ATOM 581 C ARG A 39 -11.376 1.593 5.229 1.00 1.49 C ATOM 582 O ARG A 39 -11.743 0.413 5.154 1.00 2.36 O ATOM 583 CB ARG A 39 -10.041 1.167 7.393 1.00 1.33 C ATOM 584 CG ARG A 39 -11.327 1.186 8.225 1.00 1.21 C ATOM 585 CD ARG A 39 -11.060 0.888 9.702 1.00 1.39 C ATOM 586 NE ARG A 39 -12.265 1.168 10.499 1.00 1.42 N ATOM 587 CZ ARG A 39 -12.555 0.733 11.709 1.00 2.22 C ATOM 588 NH1 ARG A 39 -11.731 0.039 12.434 1.00 3.45 N ATOM 589 NH2 ARG A 39 -13.720 1.015 12.208 1.00 2.17 N ATOM 0 H ARG A 39 -10.237 3.623 7.400 1.00 1.09 H new ATOM 0 HA ARG A 39 -9.337 1.737 5.415 1.00 1.29 H new ATOM 0 HB2 ARG A 39 -9.789 0.135 7.147 1.00 1.33 H new ATOM 0 HB3 ARG A 39 -9.221 1.561 7.993 1.00 1.33 H new ATOM 0 HG2 ARG A 39 -11.804 2.162 8.133 1.00 1.21 H new ATOM 0 HG3 ARG A 39 -12.027 0.451 7.828 1.00 1.21 H new ATOM 0 HD2 ARG A 39 -10.768 -0.155 9.824 1.00 1.39 H new ATOM 0 HD3 ARG A 39 -10.229 1.496 10.059 1.00 1.39 H new ATOM 0 HE ARG A 39 -12.961 1.772 10.062 1.00 1.42 H new ATOM 0 HH11 ARG A 39 -10.806 -0.195 12.073 1.00 3.45 H new ATOM 0 HH12 ARG A 39 -12.008 -0.272 13.365 1.00 3.45 H new ATOM 0 HH21 ARG A 39 -14.388 1.562 11.666 1.00 2.17 H new ATOM 0 HH22 ARG A 39 -13.967 0.689 13.142 1.00 2.17 H new ATOM 603 N GLY A 40 -11.992 2.583 4.587 1.00 1.25 N ATOM 604 CA GLY A 40 -13.073 2.440 3.611 1.00 1.30 C ATOM 605 C GLY A 40 -12.932 3.361 2.389 1.00 1.25 C ATOM 606 O GLY A 40 -13.876 3.473 1.610 1.00 1.33 O ATOM 0 H GLY A 40 -11.738 3.559 4.741 1.00 1.25 H new ATOM 0 HA2 GLY A 40 -13.109 1.405 3.272 1.00 1.30 H new ATOM 0 HA3 GLY A 40 -14.023 2.647 4.103 1.00 1.30 H new ATOM 610 N ASP A 41 -11.782 4.018 2.192 1.00 1.24 N ATOM 611 CA ASP A 41 -11.532 4.857 1.011 1.00 1.22 C ATOM 612 C ASP A 41 -11.147 4.027 -0.233 1.00 0.86 C ATOM 613 O ASP A 41 -10.580 2.933 -0.125 1.00 0.79 O ATOM 614 CB ASP A 41 -10.461 5.919 1.330 1.00 1.50 C ATOM 615 CG ASP A 41 -10.943 6.991 2.316 1.00 2.00 C ATOM 616 OD1 ASP A 41 -12.143 7.349 2.267 1.00 1.73 O ATOM 617 OD2 ASP A 41 -10.141 7.495 3.135 1.00 3.54 O ATOM 0 H ASP A 41 -10.999 3.984 2.845 1.00 1.24 H new ATOM 0 HA ASP A 41 -12.465 5.363 0.764 1.00 1.22 H new ATOM 0 HB2 ASP A 41 -9.581 5.425 1.743 1.00 1.50 H new ATOM 0 HB3 ASP A 41 -10.150 6.401 0.403 1.00 1.50 H new ATOM 622 N ILE A 42 -11.440 4.560 -1.426 1.00 0.74 N ATOM 623 CA ILE A 42 -11.033 4.001 -2.727 1.00 0.60 C ATOM 624 C ILE A 42 -9.877 4.835 -3.286 1.00 0.52 C ATOM 625 O ILE A 42 -10.042 6.038 -3.502 1.00 0.54 O ATOM 626 CB ILE A 42 -12.211 3.963 -3.720 1.00 0.79 C ATOM 627 CG1 ILE A 42 -13.461 3.254 -3.155 1.00 1.08 C ATOM 628 CG2 ILE A 42 -11.764 3.309 -5.041 1.00 0.88 C ATOM 629 CD1 ILE A 42 -13.259 1.817 -2.659 1.00 1.80 C ATOM 0 H ILE A 42 -11.983 5.418 -1.518 1.00 0.74 H new ATOM 0 HA ILE A 42 -10.706 2.971 -2.582 1.00 0.60 H new ATOM 0 HB ILE A 42 -12.506 4.996 -3.904 1.00 0.79 H new ATOM 0 HG12 ILE A 42 -13.849 3.850 -2.329 1.00 1.08 H new ATOM 0 HG13 ILE A 42 -14.228 3.244 -3.929 1.00 1.08 H new ATOM 0 HG21 ILE A 42 -12.602 3.286 -5.737 1.00 0.88 H new ATOM 0 HG22 ILE A 42 -10.948 3.886 -5.475 1.00 0.88 H new ATOM 0 HG23 ILE A 42 -11.425 2.291 -4.847 1.00 0.88 H new ATOM 0 HD11 ILE A 42 -14.205 1.425 -2.286 1.00 1.80 H new ATOM 0 HD12 ILE A 42 -12.907 1.194 -3.481 1.00 1.80 H new ATOM 0 HD13 ILE A 42 -12.521 1.809 -1.857 1.00 1.80 H new ATOM 641 N ILE A 43 -8.716 4.213 -3.520 1.00 0.50 N ATOM 642 CA ILE A 43 -7.462 4.906 -3.831 1.00 0.50 C ATOM 643 C ILE A 43 -6.897 4.543 -5.210 1.00 0.51 C ATOM 644 O ILE A 43 -6.626 3.373 -5.482 1.00 0.62 O ATOM 645 CB ILE A 43 -6.407 4.584 -2.737 1.00 0.53 C ATOM 646 CG1 ILE A 43 -6.899 4.815 -1.289 1.00 0.57 C ATOM 647 CG2 ILE A 43 -5.097 5.363 -2.973 1.00 0.59 C ATOM 648 CD1 ILE A 43 -7.343 6.248 -0.980 1.00 0.62 C ATOM 0 H ILE A 43 -8.620 3.198 -3.498 1.00 0.50 H new ATOM 0 HA ILE A 43 -7.686 5.973 -3.851 1.00 0.50 H new ATOM 0 HB ILE A 43 -6.223 3.514 -2.835 1.00 0.53 H new ATOM 0 HG12 ILE A 43 -7.733 4.141 -1.092 1.00 0.57 H new ATOM 0 HG13 ILE A 43 -6.099 4.542 -0.601 1.00 0.57 H new ATOM 0 HG21 ILE A 43 -4.380 5.115 -2.190 1.00 0.59 H new ATOM 0 HG22 ILE A 43 -4.682 5.092 -3.944 1.00 0.59 H new ATOM 0 HG23 ILE A 43 -5.301 6.433 -2.952 1.00 0.59 H new ATOM 0 HD11 ILE A 43 -7.671 6.312 0.058 1.00 0.62 H new ATOM 0 HD12 ILE A 43 -6.508 6.930 -1.139 1.00 0.62 H new ATOM 0 HD13 ILE A 43 -8.167 6.524 -1.638 1.00 0.62 H new ATOM 660 N LYS A 44 -6.638 5.542 -6.064 1.00 0.58 N ATOM 661 CA LYS A 44 -5.863 5.367 -7.306 1.00 0.58 C ATOM 662 C LYS A 44 -4.359 5.353 -7.007 1.00 0.64 C ATOM 663 O LYS A 44 -3.844 6.287 -6.393 1.00 0.79 O ATOM 664 CB LYS A 44 -6.247 6.428 -8.345 1.00 0.71 C ATOM 665 CG LYS A 44 -5.306 6.344 -9.561 1.00 1.60 C ATOM 666 CD LYS A 44 -5.874 7.028 -10.803 1.00 1.91 C ATOM 667 CE LYS A 44 -6.668 6.035 -11.654 1.00 1.65 C ATOM 668 NZ LYS A 44 -7.026 6.597 -12.975 1.00 1.93 N ATOM 0 H LYS A 44 -6.960 6.498 -5.915 1.00 0.58 H new ATOM 0 HA LYS A 44 -6.110 4.399 -7.741 1.00 0.58 H new ATOM 0 HB2 LYS A 44 -7.279 6.280 -8.663 1.00 0.71 H new ATOM 0 HB3 LYS A 44 -6.190 7.421 -7.900 1.00 0.71 H new ATOM 0 HG2 LYS A 44 -4.350 6.801 -9.306 1.00 1.60 H new ATOM 0 HG3 LYS A 44 -5.108 5.297 -9.788 1.00 1.60 H new ATOM 0 HD2 LYS A 44 -6.518 7.856 -10.506 1.00 1.91 H new ATOM 0 HD3 LYS A 44 -5.062 7.452 -11.394 1.00 1.91 H new ATOM 0 HE2 LYS A 44 -6.081 5.127 -11.794 1.00 1.65 H new ATOM 0 HE3 LYS A 44 -7.576 5.749 -11.124 1.00 1.65 H new ATOM 0 HZ1 LYS A 44 -7.563 5.891 -13.519 1.00 1.93 H new ATOM 0 HZ2 LYS A 44 -7.608 7.449 -12.844 1.00 1.93 H new ATOM 0 HZ3 LYS A 44 -6.159 6.846 -13.493 1.00 1.93 H new ATOM 682 N VAL A 45 -3.631 4.345 -7.491 1.00 0.61 N ATOM 683 CA VAL A 45 -2.156 4.302 -7.466 1.00 0.59 C ATOM 684 C VAL A 45 -1.571 4.621 -8.846 1.00 0.62 C ATOM 685 O VAL A 45 -2.080 4.153 -9.870 1.00 0.66 O ATOM 686 CB VAL A 45 -1.652 2.964 -6.887 1.00 0.50 C ATOM 687 CG1 VAL A 45 -1.665 1.819 -7.904 1.00 0.52 C ATOM 688 CG2 VAL A 45 -0.230 3.102 -6.327 1.00 0.55 C ATOM 0 H VAL A 45 -4.050 3.520 -7.919 1.00 0.61 H new ATOM 0 HA VAL A 45 -1.796 5.082 -6.795 1.00 0.59 H new ATOM 0 HB VAL A 45 -2.352 2.716 -6.089 1.00 0.50 H new ATOM 0 HG11 VAL A 45 -1.299 0.908 -7.431 1.00 0.52 H new ATOM 0 HG12 VAL A 45 -2.683 1.659 -8.259 1.00 0.52 H new ATOM 0 HG13 VAL A 45 -1.023 2.074 -8.747 1.00 0.52 H new ATOM 0 HG21 VAL A 45 0.098 2.143 -5.926 1.00 0.55 H new ATOM 0 HG22 VAL A 45 0.446 3.412 -7.124 1.00 0.55 H new ATOM 0 HG23 VAL A 45 -0.223 3.849 -5.533 1.00 0.55 H new ATOM 698 N VAL A 46 -0.517 5.435 -8.892 1.00 0.70 N ATOM 699 CA VAL A 46 0.123 5.882 -10.146 1.00 0.81 C ATOM 700 C VAL A 46 1.230 4.930 -10.640 1.00 0.73 C ATOM 701 O VAL A 46 1.774 4.144 -9.852 1.00 0.62 O ATOM 702 CB VAL A 46 0.644 7.330 -10.013 1.00 0.98 C ATOM 703 CG1 VAL A 46 -0.506 8.285 -9.668 1.00 1.16 C ATOM 704 CG2 VAL A 46 1.761 7.477 -8.971 1.00 1.01 C ATOM 0 H VAL A 46 -0.072 5.811 -8.055 1.00 0.70 H new ATOM 0 HA VAL A 46 -0.652 5.861 -10.912 1.00 0.81 H new ATOM 0 HB VAL A 46 1.070 7.590 -10.982 1.00 0.98 H new ATOM 0 HG11 VAL A 46 -0.121 9.301 -9.578 1.00 1.16 H new ATOM 0 HG12 VAL A 46 -1.257 8.250 -10.457 1.00 1.16 H new ATOM 0 HG13 VAL A 46 -0.958 7.984 -8.723 1.00 1.16 H new ATOM 0 HG21 VAL A 46 2.083 8.518 -8.927 1.00 1.01 H new ATOM 0 HG22 VAL A 46 1.389 7.170 -7.993 1.00 1.01 H new ATOM 0 HG23 VAL A 46 2.606 6.848 -9.252 1.00 1.01 H new ATOM 714 N PRO A 47 1.616 4.988 -11.929 1.00 0.88 N ATOM 715 CA PRO A 47 2.804 4.295 -12.430 1.00 0.93 C ATOM 716 C PRO A 47 4.064 4.809 -11.718 1.00 0.85 C ATOM 717 O PRO A 47 4.199 6.018 -11.496 1.00 0.96 O ATOM 718 CB PRO A 47 2.848 4.569 -13.938 1.00 1.19 C ATOM 719 CG PRO A 47 1.409 4.957 -14.278 1.00 1.31 C ATOM 720 CD PRO A 47 0.972 5.701 -13.022 1.00 1.11 C ATOM 0 HA PRO A 47 2.763 3.223 -12.237 1.00 0.93 H new ATOM 0 HB2 PRO A 47 3.546 5.370 -14.179 1.00 1.19 H new ATOM 0 HB3 PRO A 47 3.168 3.689 -14.496 1.00 1.19 H new ATOM 0 HG2 PRO A 47 1.356 5.589 -15.165 1.00 1.31 H new ATOM 0 HG3 PRO A 47 0.786 4.083 -14.471 1.00 1.31 H new ATOM 0 HD2 PRO A 47 1.283 6.745 -13.052 1.00 1.11 H new ATOM 0 HD3 PRO A 47 -0.113 5.694 -12.915 1.00 1.11 H new ATOM 728 N GLY A 48 4.955 3.900 -11.318 1.00 0.80 N ATOM 729 CA GLY A 48 6.178 4.184 -10.553 1.00 0.79 C ATOM 730 C GLY A 48 5.988 4.558 -9.074 1.00 0.73 C ATOM 731 O GLY A 48 6.986 4.736 -8.364 1.00 0.96 O ATOM 0 H GLY A 48 4.843 2.907 -11.524 1.00 0.80 H new ATOM 0 HA2 GLY A 48 6.824 3.307 -10.603 1.00 0.79 H new ATOM 0 HA3 GLY A 48 6.708 4.999 -11.046 1.00 0.79 H new ATOM 735 N GLY A 49 4.739 4.679 -8.608 1.00 0.61 N ATOM 736 CA GLY A 49 4.381 5.071 -7.241 1.00 0.65 C ATOM 737 C GLY A 49 4.473 3.947 -6.202 1.00 0.66 C ATOM 738 O GLY A 49 4.780 2.795 -6.519 1.00 0.98 O ATOM 0 H GLY A 49 3.923 4.500 -9.193 1.00 0.61 H new ATOM 0 HA2 GLY A 49 5.033 5.887 -6.930 1.00 0.65 H new ATOM 0 HA3 GLY A 49 3.363 5.460 -7.245 1.00 0.65 H new ATOM 742 N LYS A 50 4.186 4.291 -4.943 1.00 0.59 N ATOM 743 CA LYS A 50 4.301 3.413 -3.765 1.00 0.62 C ATOM 744 C LYS A 50 3.007 3.348 -2.951 1.00 0.74 C ATOM 745 O LYS A 50 2.272 4.332 -2.836 1.00 1.08 O ATOM 746 CB LYS A 50 5.458 3.879 -2.868 1.00 0.77 C ATOM 747 CG LYS A 50 6.799 3.997 -3.596 1.00 0.85 C ATOM 748 CD LYS A 50 7.920 4.292 -2.593 1.00 1.09 C ATOM 749 CE LYS A 50 9.244 4.595 -3.300 1.00 1.21 C ATOM 750 NZ LYS A 50 9.309 5.985 -3.797 1.00 2.38 N ATOM 0 H LYS A 50 3.854 5.225 -4.702 1.00 0.59 H new ATOM 0 HA LYS A 50 4.501 2.408 -4.136 1.00 0.62 H new ATOM 0 HB2 LYS A 50 5.203 4.847 -2.437 1.00 0.77 H new ATOM 0 HB3 LYS A 50 5.566 3.180 -2.039 1.00 0.77 H new ATOM 0 HG2 LYS A 50 7.014 3.072 -4.131 1.00 0.85 H new ATOM 0 HG3 LYS A 50 6.749 4.791 -4.341 1.00 0.85 H new ATOM 0 HD2 LYS A 50 7.637 5.140 -1.970 1.00 1.09 H new ATOM 0 HD3 LYS A 50 8.049 3.437 -1.929 1.00 1.09 H new ATOM 0 HE2 LYS A 50 10.070 4.419 -2.611 1.00 1.21 H new ATOM 0 HE3 LYS A 50 9.373 3.906 -4.135 1.00 1.21 H new ATOM 0 HZ1 LYS A 50 10.223 6.143 -4.268 1.00 2.38 H new ATOM 0 HZ2 LYS A 50 8.537 6.148 -4.475 1.00 2.38 H new ATOM 0 HZ3 LYS A 50 9.213 6.644 -2.998 1.00 2.38 H new ATOM 764 N PHE A 51 2.754 2.196 -2.331 1.00 0.68 N ATOM 765 CA PHE A 51 1.542 1.955 -1.534 1.00 0.75 C ATOM 766 C PHE A 51 1.661 2.503 -0.087 1.00 0.83 C ATOM 767 O PHE A 51 2.609 2.141 0.617 1.00 0.86 O ATOM 768 CB PHE A 51 1.198 0.458 -1.560 1.00 0.72 C ATOM 769 CG PHE A 51 0.745 -0.047 -2.921 1.00 0.64 C ATOM 770 CD1 PHE A 51 -0.584 0.147 -3.343 1.00 1.73 C ATOM 771 CD2 PHE A 51 1.650 -0.699 -3.778 1.00 1.53 C ATOM 772 CE1 PHE A 51 -0.990 -0.297 -4.616 1.00 1.86 C ATOM 773 CE2 PHE A 51 1.247 -1.137 -5.051 1.00 1.42 C ATOM 774 CZ PHE A 51 -0.077 -0.934 -5.472 1.00 0.75 C ATOM 0 H PHE A 51 3.386 1.396 -2.365 1.00 0.68 H new ATOM 0 HA PHE A 51 0.721 2.510 -1.987 1.00 0.75 H new ATOM 0 HB2 PHE A 51 2.073 -0.111 -1.245 1.00 0.72 H new ATOM 0 HB3 PHE A 51 0.411 0.263 -0.831 1.00 0.72 H new ATOM 0 HD1 PHE A 51 -1.292 0.636 -2.690 1.00 1.73 H new ATOM 0 HD2 PHE A 51 2.667 -0.865 -3.454 1.00 1.53 H new ATOM 0 HE1 PHE A 51 -2.010 -0.147 -4.936 1.00 1.86 H new ATOM 0 HE2 PHE A 51 1.954 -1.628 -5.704 1.00 1.42 H new ATOM 0 HZ PHE A 51 -0.392 -1.266 -6.450 1.00 0.75 H new ATOM 784 N PRO A 52 0.716 3.339 0.400 1.00 0.87 N ATOM 785 CA PRO A 52 0.749 3.927 1.752 1.00 0.90 C ATOM 786 C PRO A 52 0.028 3.096 2.835 1.00 0.81 C ATOM 787 O PRO A 52 0.333 3.233 4.022 1.00 0.89 O ATOM 788 CB PRO A 52 0.073 5.293 1.584 1.00 1.00 C ATOM 789 CG PRO A 52 -0.949 5.067 0.473 1.00 1.00 C ATOM 790 CD PRO A 52 -0.308 3.997 -0.406 1.00 0.91 C ATOM 0 HA PRO A 52 1.777 3.978 2.111 1.00 0.90 H new ATOM 0 HB2 PRO A 52 -0.407 5.617 2.508 1.00 1.00 H new ATOM 0 HB3 PRO A 52 0.794 6.064 1.312 1.00 1.00 H new ATOM 0 HG2 PRO A 52 -1.907 4.734 0.873 1.00 1.00 H new ATOM 0 HG3 PRO A 52 -1.139 5.983 -0.087 1.00 1.00 H new ATOM 0 HD2 PRO A 52 -1.054 3.278 -0.744 1.00 0.91 H new ATOM 0 HD3 PRO A 52 0.131 4.443 -1.298 1.00 0.91 H new ATOM 798 N VAL A 53 -0.910 2.236 2.422 1.00 0.70 N ATOM 799 CA VAL A 53 -1.784 1.365 3.237 1.00 0.61 C ATOM 800 C VAL A 53 -2.066 0.073 2.450 1.00 0.59 C ATOM 801 O VAL A 53 -1.709 -0.005 1.272 1.00 0.68 O ATOM 802 CB VAL A 53 -3.105 2.053 3.648 1.00 0.70 C ATOM 803 CG1 VAL A 53 -2.872 3.236 4.597 1.00 0.80 C ATOM 804 CG2 VAL A 53 -3.925 2.536 2.449 1.00 0.75 C ATOM 0 H VAL A 53 -1.098 2.117 1.427 1.00 0.70 H new ATOM 0 HA VAL A 53 -1.262 1.138 4.167 1.00 0.61 H new ATOM 0 HB VAL A 53 -3.673 1.281 4.167 1.00 0.70 H new ATOM 0 HG11 VAL A 53 -3.829 3.687 4.858 1.00 0.80 H new ATOM 0 HG12 VAL A 53 -2.378 2.884 5.503 1.00 0.80 H new ATOM 0 HG13 VAL A 53 -2.243 3.978 4.106 1.00 0.80 H new ATOM 0 HG21 VAL A 53 -4.841 3.010 2.802 1.00 0.75 H new ATOM 0 HG22 VAL A 53 -3.341 3.256 1.875 1.00 0.75 H new ATOM 0 HG23 VAL A 53 -4.178 1.686 1.815 1.00 0.75 H new ATOM 814 N ASP A 54 -2.673 -0.941 3.072 1.00 0.60 N ATOM 815 CA ASP A 54 -3.018 -2.217 2.418 1.00 0.67 C ATOM 816 C ASP A 54 -4.492 -2.318 1.971 1.00 0.74 C ATOM 817 O ASP A 54 -5.373 -1.620 2.488 1.00 0.91 O ATOM 818 CB ASP A 54 -2.578 -3.399 3.293 1.00 0.73 C ATOM 819 CG ASP A 54 -3.395 -3.567 4.570 1.00 0.81 C ATOM 820 OD1 ASP A 54 -4.471 -4.197 4.528 1.00 1.65 O ATOM 821 OD2 ASP A 54 -2.912 -3.162 5.651 1.00 1.68 O ATOM 0 H ASP A 54 -2.944 -0.904 4.055 1.00 0.60 H new ATOM 0 HA ASP A 54 -2.458 -2.255 1.484 1.00 0.67 H new ATOM 0 HB2 ASP A 54 -2.646 -4.316 2.707 1.00 0.73 H new ATOM 0 HB3 ASP A 54 -1.529 -3.269 3.560 1.00 0.73 H new ATOM 826 N GLY A 55 -4.753 -3.180 0.979 1.00 0.63 N ATOM 827 CA GLY A 55 -6.098 -3.366 0.421 1.00 0.65 C ATOM 828 C GLY A 55 -6.203 -4.338 -0.762 1.00 0.54 C ATOM 829 O GLY A 55 -5.268 -5.083 -1.076 1.00 0.55 O ATOM 0 H GLY A 55 -4.041 -3.765 0.543 1.00 0.63 H new ATOM 0 HA2 GLY A 55 -6.755 -3.719 1.216 1.00 0.65 H new ATOM 0 HA3 GLY A 55 -6.476 -2.394 0.103 1.00 0.65 H new ATOM 833 N ARG A 56 -7.371 -4.311 -1.416 1.00 0.53 N ATOM 834 CA ARG A 56 -7.751 -5.154 -2.569 1.00 0.54 C ATOM 835 C ARG A 56 -7.894 -4.324 -3.851 1.00 0.56 C ATOM 836 O ARG A 56 -8.403 -3.209 -3.828 1.00 0.58 O ATOM 837 CB ARG A 56 -9.006 -5.961 -2.183 1.00 0.62 C ATOM 838 CG ARG A 56 -9.650 -6.782 -3.315 1.00 0.87 C ATOM 839 CD ARG A 56 -10.791 -7.665 -2.784 1.00 0.93 C ATOM 840 NE ARG A 56 -11.852 -6.872 -2.131 1.00 1.92 N ATOM 841 CZ ARG A 56 -12.894 -6.288 -2.696 1.00 3.10 C ATOM 842 NH1 ARG A 56 -13.259 -6.467 -3.929 1.00 4.01 N ATOM 843 NH2 ARG A 56 -13.632 -5.467 -2.019 1.00 4.15 N ATOM 0 H ARG A 56 -8.118 -3.671 -1.146 1.00 0.53 H new ATOM 0 HA ARG A 56 -6.962 -5.867 -2.805 1.00 0.54 H new ATOM 0 HB2 ARG A 56 -8.743 -6.640 -1.372 1.00 0.62 H new ATOM 0 HB3 ARG A 56 -9.752 -5.270 -1.791 1.00 0.62 H new ATOM 0 HG2 ARG A 56 -10.034 -6.109 -4.082 1.00 0.87 H new ATOM 0 HG3 ARG A 56 -8.894 -7.407 -3.789 1.00 0.87 H new ATOM 0 HD2 ARG A 56 -11.221 -8.235 -3.608 1.00 0.93 H new ATOM 0 HD3 ARG A 56 -10.389 -8.386 -2.073 1.00 0.93 H new ATOM 0 HE ARG A 56 -11.771 -6.762 -1.120 1.00 1.92 H new ATOM 0 HH11 ARG A 56 -12.728 -7.095 -4.532 1.00 4.01 H new ATOM 0 HH12 ARG A 56 -14.077 -5.980 -4.295 1.00 4.01 H new ATOM 0 HH21 ARG A 56 -13.410 -5.268 -1.044 1.00 4.15 H new ATOM 0 HH22 ARG A 56 -14.435 -5.020 -2.461 1.00 4.15 H new ATOM 857 N VAL A 57 -7.407 -4.856 -4.969 1.00 0.59 N ATOM 858 CA VAL A 57 -7.324 -4.216 -6.292 1.00 0.54 C ATOM 859 C VAL A 57 -8.533 -4.621 -7.127 1.00 0.55 C ATOM 860 O VAL A 57 -8.783 -5.815 -7.290 1.00 0.63 O ATOM 861 CB VAL A 57 -6.038 -4.648 -7.033 1.00 0.55 C ATOM 862 CG1 VAL A 57 -5.880 -3.891 -8.358 1.00 0.56 C ATOM 863 CG2 VAL A 57 -4.767 -4.424 -6.201 1.00 0.67 C ATOM 0 H VAL A 57 -7.035 -5.805 -4.983 1.00 0.59 H new ATOM 0 HA VAL A 57 -7.304 -3.135 -6.150 1.00 0.54 H new ATOM 0 HB VAL A 57 -6.153 -5.716 -7.216 1.00 0.55 H new ATOM 0 HG11 VAL A 57 -4.967 -4.216 -8.856 1.00 0.56 H new ATOM 0 HG12 VAL A 57 -6.737 -4.098 -9.000 1.00 0.56 H new ATOM 0 HG13 VAL A 57 -5.824 -2.820 -8.161 1.00 0.56 H new ATOM 0 HG21 VAL A 57 -3.896 -4.746 -6.773 1.00 0.67 H new ATOM 0 HG22 VAL A 57 -4.672 -3.365 -5.960 1.00 0.67 H new ATOM 0 HG23 VAL A 57 -4.829 -5.002 -5.279 1.00 0.67 H new ATOM 873 N ILE A 58 -9.257 -3.654 -7.695 1.00 0.51 N ATOM 874 CA ILE A 58 -10.480 -3.908 -8.486 1.00 0.56 C ATOM 875 C ILE A 58 -10.590 -3.000 -9.725 1.00 0.57 C ATOM 876 O ILE A 58 -11.681 -2.732 -10.235 1.00 0.63 O ATOM 877 CB ILE A 58 -11.731 -3.793 -7.569 1.00 0.60 C ATOM 878 CG1 ILE A 58 -11.618 -2.592 -6.601 1.00 0.57 C ATOM 879 CG2 ILE A 58 -11.944 -5.101 -6.796 1.00 0.70 C ATOM 880 CD1 ILE A 58 -12.928 -2.235 -5.891 1.00 0.69 C ATOM 0 H ILE A 58 -9.017 -2.665 -7.623 1.00 0.51 H new ATOM 0 HA ILE A 58 -10.421 -4.924 -8.875 1.00 0.56 H new ATOM 0 HB ILE A 58 -12.599 -3.617 -8.204 1.00 0.60 H new ATOM 0 HG12 ILE A 58 -10.859 -2.814 -5.850 1.00 0.57 H new ATOM 0 HG13 ILE A 58 -11.270 -1.722 -7.158 1.00 0.57 H new ATOM 0 HG21 ILE A 58 -12.823 -5.008 -6.158 1.00 0.70 H new ATOM 0 HG22 ILE A 58 -12.092 -5.920 -7.500 1.00 0.70 H new ATOM 0 HG23 ILE A 58 -11.068 -5.306 -6.180 1.00 0.70 H new ATOM 0 HD11 ILE A 58 -12.764 -1.383 -5.231 1.00 0.69 H new ATOM 0 HD12 ILE A 58 -13.685 -1.979 -6.632 1.00 0.69 H new ATOM 0 HD13 ILE A 58 -13.268 -3.088 -5.304 1.00 0.69 H new ATOM 892 N GLU A 59 -9.448 -2.632 -10.307 1.00 0.55 N ATOM 893 CA GLU A 59 -9.334 -1.965 -11.604 1.00 0.64 C ATOM 894 C GLU A 59 -7.872 -1.990 -12.076 1.00 0.64 C ATOM 895 O GLU A 59 -6.984 -1.627 -11.303 1.00 0.65 O ATOM 896 CB GLU A 59 -9.794 -0.500 -11.466 1.00 0.70 C ATOM 897 CG GLU A 59 -10.016 0.230 -12.790 1.00 1.13 C ATOM 898 CD GLU A 59 -11.081 -0.446 -13.652 1.00 1.39 C ATOM 899 OE1 GLU A 59 -12.300 -0.316 -13.370 1.00 2.36 O ATOM 900 OE2 GLU A 59 -10.707 -1.139 -14.623 1.00 2.57 O ATOM 0 H GLU A 59 -8.541 -2.797 -9.870 1.00 0.55 H new ATOM 0 HA GLU A 59 -9.959 -2.484 -12.331 1.00 0.64 H new ATOM 0 HB2 GLU A 59 -10.722 -0.478 -10.895 1.00 0.70 H new ATOM 0 HB3 GLU A 59 -9.050 0.047 -10.886 1.00 0.70 H new ATOM 0 HG2 GLU A 59 -10.313 1.259 -12.590 1.00 1.13 H new ATOM 0 HG3 GLU A 59 -9.077 0.271 -13.342 1.00 1.13 H new ATOM 907 N GLY A 60 -7.632 -2.346 -13.340 1.00 0.68 N ATOM 908 CA GLY A 60 -6.332 -2.212 -14.001 1.00 0.72 C ATOM 909 C GLY A 60 -5.356 -3.380 -13.812 1.00 0.74 C ATOM 910 O GLY A 60 -5.658 -4.395 -13.186 1.00 0.79 O ATOM 0 H GLY A 60 -8.351 -2.744 -13.945 1.00 0.68 H new ATOM 0 HA2 GLY A 60 -6.502 -2.077 -15.069 1.00 0.72 H new ATOM 0 HA3 GLY A 60 -5.854 -1.303 -13.637 1.00 0.72 H new ATOM 914 N HIS A 61 -4.163 -3.218 -14.383 1.00 0.77 N ATOM 915 CA HIS A 61 -3.146 -4.266 -14.511 1.00 0.84 C ATOM 916 C HIS A 61 -1.712 -3.704 -14.447 1.00 0.88 C ATOM 917 O HIS A 61 -1.263 -2.956 -15.317 1.00 1.20 O ATOM 918 CB HIS A 61 -3.408 -5.100 -15.779 1.00 0.99 C ATOM 919 CG HIS A 61 -3.222 -4.382 -17.098 1.00 1.17 C ATOM 920 ND1 HIS A 61 -2.158 -4.546 -17.949 1.00 2.30 N ATOM 921 CD2 HIS A 61 -4.085 -3.505 -17.702 1.00 2.31 C ATOM 922 CE1 HIS A 61 -2.368 -3.794 -19.039 1.00 2.18 C ATOM 923 NE2 HIS A 61 -3.535 -3.126 -18.940 1.00 2.03 N ATOM 0 H HIS A 61 -3.867 -2.327 -14.782 1.00 0.77 H new ATOM 0 HA HIS A 61 -3.228 -4.932 -13.652 1.00 0.84 H new ATOM 0 HB2 HIS A 61 -2.746 -5.966 -15.763 1.00 0.99 H new ATOM 0 HB3 HIS A 61 -4.429 -5.479 -15.736 1.00 0.99 H new ATOM 0 HD2 HIS A 61 -5.026 -3.163 -17.297 1.00 2.31 H new ATOM 0 HE1 HIS A 61 -1.695 -3.732 -19.881 1.00 2.18 H new ATOM 0 HE2 HIS A 61 -3.935 -2.481 -19.621 1.00 2.03 H new ATOM 931 N SER A 62 -0.985 -4.050 -13.382 1.00 0.75 N ATOM 932 CA SER A 62 0.400 -3.614 -13.141 1.00 0.76 C ATOM 933 C SER A 62 1.234 -4.720 -12.505 1.00 0.76 C ATOM 934 O SER A 62 0.693 -5.724 -12.031 1.00 0.83 O ATOM 935 CB SER A 62 0.434 -2.351 -12.264 1.00 0.79 C ATOM 936 OG SER A 62 1.513 -1.525 -12.647 1.00 1.28 O ATOM 0 H SER A 62 -1.347 -4.654 -12.645 1.00 0.75 H new ATOM 0 HA SER A 62 0.838 -3.378 -14.111 1.00 0.76 H new ATOM 0 HB2 SER A 62 -0.505 -1.805 -12.362 1.00 0.79 H new ATOM 0 HB3 SER A 62 0.533 -2.630 -11.215 1.00 0.79 H new ATOM 0 HG SER A 62 1.830 -1.019 -11.870 1.00 1.28 H new ATOM 942 N MET A 63 2.549 -4.547 -12.476 1.00 0.74 N ATOM 943 CA MET A 63 3.466 -5.389 -11.712 1.00 0.73 C ATOM 944 C MET A 63 3.954 -4.635 -10.464 1.00 0.73 C ATOM 945 O MET A 63 4.049 -3.406 -10.470 1.00 0.96 O ATOM 946 CB MET A 63 4.575 -5.897 -12.642 1.00 0.73 C ATOM 947 CG MET A 63 5.479 -6.896 -11.925 1.00 0.76 C ATOM 948 SD MET A 63 6.460 -7.977 -13.002 1.00 0.84 S ATOM 949 CE MET A 63 5.206 -9.209 -13.451 1.00 0.87 C ATOM 0 H MET A 63 3.019 -3.804 -12.992 1.00 0.74 H new ATOM 0 HA MET A 63 2.967 -6.279 -11.328 1.00 0.73 H new ATOM 0 HB2 MET A 63 4.131 -6.368 -13.519 1.00 0.73 H new ATOM 0 HB3 MET A 63 5.169 -5.055 -12.999 1.00 0.73 H new ATOM 0 HG2 MET A 63 6.160 -6.343 -11.277 1.00 0.76 H new ATOM 0 HG3 MET A 63 4.861 -7.520 -11.279 1.00 0.76 H new ATOM 0 HE1 MET A 63 5.647 -9.952 -14.115 1.00 0.87 H new ATOM 0 HE2 MET A 63 4.839 -9.700 -12.550 1.00 0.87 H new ATOM 0 HE3 MET A 63 4.377 -8.716 -13.959 1.00 0.87 H new ATOM 959 N VAL A 64 4.167 -5.370 -9.370 1.00 0.63 N ATOM 960 CA VAL A 64 4.434 -4.811 -8.039 1.00 0.60 C ATOM 961 C VAL A 64 5.584 -5.535 -7.331 1.00 0.60 C ATOM 962 O VAL A 64 5.644 -6.762 -7.314 1.00 0.70 O ATOM 963 CB VAL A 64 3.144 -4.820 -7.191 1.00 0.67 C ATOM 964 CG1 VAL A 64 3.378 -4.254 -5.791 1.00 0.70 C ATOM 965 CG2 VAL A 64 2.034 -3.968 -7.824 1.00 0.69 C ATOM 0 H VAL A 64 4.159 -6.390 -9.383 1.00 0.63 H new ATOM 0 HA VAL A 64 4.755 -3.777 -8.165 1.00 0.60 H new ATOM 0 HB VAL A 64 2.845 -5.867 -7.140 1.00 0.67 H new ATOM 0 HG11 VAL A 64 2.445 -4.279 -5.228 1.00 0.70 H new ATOM 0 HG12 VAL A 64 4.128 -4.854 -5.277 1.00 0.70 H new ATOM 0 HG13 VAL A 64 3.728 -3.225 -5.869 1.00 0.70 H new ATOM 0 HG21 VAL A 64 1.145 -4.003 -7.194 1.00 0.69 H new ATOM 0 HG22 VAL A 64 2.374 -2.936 -7.915 1.00 0.69 H new ATOM 0 HG23 VAL A 64 1.794 -4.359 -8.813 1.00 0.69 H new ATOM 975 N ASP A 65 6.485 -4.779 -6.706 1.00 0.55 N ATOM 976 CA ASP A 65 7.651 -5.289 -5.970 1.00 0.58 C ATOM 977 C ASP A 65 7.406 -5.290 -4.446 1.00 0.58 C ATOM 978 O ASP A 65 6.903 -4.305 -3.907 1.00 0.89 O ATOM 979 CB ASP A 65 8.871 -4.451 -6.382 1.00 0.66 C ATOM 980 CG ASP A 65 10.209 -5.010 -5.896 1.00 0.84 C ATOM 981 OD1 ASP A 65 10.341 -6.251 -5.755 1.00 2.21 O ATOM 982 OD2 ASP A 65 11.145 -4.191 -5.714 1.00 1.64 O ATOM 0 H ASP A 65 6.426 -3.761 -6.695 1.00 0.55 H new ATOM 0 HA ASP A 65 7.836 -6.332 -6.226 1.00 0.58 H new ATOM 0 HB2 ASP A 65 8.895 -4.375 -7.469 1.00 0.66 H new ATOM 0 HB3 ASP A 65 8.750 -3.439 -5.994 1.00 0.66 H new ATOM 987 N GLU A 66 7.718 -6.393 -3.753 1.00 0.58 N ATOM 988 CA GLU A 66 7.337 -6.641 -2.341 1.00 0.60 C ATOM 989 C GLU A 66 8.481 -7.172 -1.433 1.00 0.62 C ATOM 990 O GLU A 66 8.229 -7.705 -0.347 1.00 0.66 O ATOM 991 CB GLU A 66 6.152 -7.627 -2.275 1.00 0.74 C ATOM 992 CG GLU A 66 5.100 -7.631 -3.397 1.00 0.91 C ATOM 993 CD GLU A 66 3.870 -8.460 -2.994 1.00 0.92 C ATOM 994 OE1 GLU A 66 4.018 -9.566 -2.419 1.00 1.54 O ATOM 995 OE2 GLU A 66 2.725 -7.996 -3.229 1.00 1.82 O ATOM 0 H GLU A 66 8.254 -7.159 -4.160 1.00 0.58 H new ATOM 0 HA GLU A 66 7.066 -5.661 -1.950 1.00 0.60 H new ATOM 0 HB2 GLU A 66 6.568 -8.633 -2.215 1.00 0.74 H new ATOM 0 HB3 GLU A 66 5.627 -7.443 -1.337 1.00 0.74 H new ATOM 0 HG2 GLU A 66 4.797 -6.608 -3.620 1.00 0.91 H new ATOM 0 HG3 GLU A 66 5.536 -8.040 -4.308 1.00 0.91 H new ATOM 1002 N SER A 67 9.734 -7.040 -1.877 1.00 0.73 N ATOM 1003 CA SER A 67 10.950 -7.689 -1.343 1.00 0.86 C ATOM 1004 C SER A 67 11.179 -7.742 0.180 1.00 0.75 C ATOM 1005 O SER A 67 11.757 -8.722 0.659 1.00 0.82 O ATOM 1006 CB SER A 67 12.175 -7.054 -2.003 1.00 1.27 C ATOM 1007 OG SER A 67 12.290 -5.687 -1.659 1.00 1.80 O ATOM 0 H SER A 67 9.948 -6.438 -2.672 1.00 0.73 H new ATOM 0 HA SER A 67 10.788 -8.737 -1.593 1.00 0.86 H new ATOM 0 HB2 SER A 67 13.075 -7.586 -1.694 1.00 1.27 H new ATOM 0 HB3 SER A 67 12.101 -7.154 -3.086 1.00 1.27 H new ATOM 0 HG SER A 67 13.082 -5.306 -2.093 1.00 1.80 H new ATOM 1013 N LEU A 68 10.735 -6.745 0.950 1.00 0.82 N ATOM 1014 CA LEU A 68 10.854 -6.711 2.415 1.00 0.96 C ATOM 1015 C LEU A 68 9.577 -7.239 3.089 1.00 0.95 C ATOM 1016 O LEU A 68 9.651 -8.014 4.046 1.00 1.16 O ATOM 1017 CB LEU A 68 11.214 -5.262 2.814 1.00 1.19 C ATOM 1018 CG LEU A 68 11.602 -4.954 4.276 1.00 1.43 C ATOM 1019 CD1 LEU A 68 10.438 -5.025 5.266 1.00 1.51 C ATOM 1020 CD2 LEU A 68 12.734 -5.829 4.802 1.00 1.50 C ATOM 0 H LEU A 68 10.273 -5.920 0.567 1.00 0.82 H new ATOM 0 HA LEU A 68 11.644 -7.376 2.764 1.00 0.96 H new ATOM 0 HB2 LEU A 68 12.043 -4.945 2.182 1.00 1.19 H new ATOM 0 HB3 LEU A 68 10.361 -4.632 2.562 1.00 1.19 H new ATOM 0 HG LEU A 68 11.942 -3.920 4.219 1.00 1.43 H new ATOM 0 HD11 LEU A 68 10.799 -4.795 6.269 1.00 1.51 H new ATOM 0 HD12 LEU A 68 9.673 -4.302 4.981 1.00 1.51 H new ATOM 0 HD13 LEU A 68 10.011 -6.028 5.255 1.00 1.51 H new ATOM 0 HD21 LEU A 68 12.954 -5.558 5.835 1.00 1.50 H new ATOM 0 HD22 LEU A 68 12.435 -6.876 4.758 1.00 1.50 H new ATOM 0 HD23 LEU A 68 13.624 -5.680 4.190 1.00 1.50 H new ATOM 1032 N ILE A 69 8.403 -6.859 2.573 1.00 0.82 N ATOM 1033 CA ILE A 69 7.093 -7.083 3.206 1.00 0.86 C ATOM 1034 C ILE A 69 6.719 -8.571 3.213 1.00 0.97 C ATOM 1035 O ILE A 69 6.620 -9.174 4.283 1.00 1.05 O ATOM 1036 CB ILE A 69 5.990 -6.233 2.528 1.00 0.81 C ATOM 1037 CG1 ILE A 69 6.334 -4.731 2.386 1.00 0.83 C ATOM 1038 CG2 ILE A 69 4.666 -6.424 3.295 1.00 0.94 C ATOM 1039 CD1 ILE A 69 6.341 -3.931 3.691 1.00 0.90 C ATOM 0 H ILE A 69 8.333 -6.373 1.679 1.00 0.82 H new ATOM 0 HA ILE A 69 7.172 -6.760 4.244 1.00 0.86 H new ATOM 0 HB ILE A 69 5.898 -6.595 1.504 1.00 0.81 H new ATOM 0 HG12 ILE A 69 7.316 -4.643 1.921 1.00 0.83 H new ATOM 0 HG13 ILE A 69 5.617 -4.275 1.704 1.00 0.83 H new ATOM 0 HG21 ILE A 69 3.884 -5.829 2.824 1.00 0.94 H new ATOM 0 HG22 ILE A 69 4.383 -7.476 3.275 1.00 0.94 H new ATOM 0 HG23 ILE A 69 4.794 -6.102 4.328 1.00 0.94 H new ATOM 0 HD11 ILE A 69 6.593 -2.892 3.479 1.00 0.90 H new ATOM 0 HD12 ILE A 69 5.354 -3.978 4.152 1.00 0.90 H new ATOM 0 HD13 ILE A 69 7.080 -4.353 4.372 1.00 0.90 H new ATOM 1051 N THR A 70 6.532 -9.168 2.032 1.00 1.05 N ATOM 1052 CA THR A 70 6.203 -10.596 1.842 1.00 1.14 C ATOM 1053 C THR A 70 7.450 -11.455 1.615 1.00 1.17 C ATOM 1054 O THR A 70 7.381 -12.685 1.674 1.00 1.29 O ATOM 1055 CB THR A 70 5.219 -10.777 0.676 1.00 1.12 C ATOM 1056 OG1 THR A 70 5.789 -10.203 -0.472 1.00 1.17 O ATOM 1057 CG2 THR A 70 3.882 -10.084 0.935 1.00 1.32 C ATOM 0 H THR A 70 6.606 -8.660 1.150 1.00 1.05 H new ATOM 0 HA THR A 70 5.733 -10.937 2.765 1.00 1.14 H new ATOM 0 HB THR A 70 5.032 -11.844 0.555 1.00 1.12 H new ATOM 0 HG1 THR A 70 5.100 -10.094 -1.160 1.00 1.17 H new ATOM 0 HG21 THR A 70 3.220 -10.240 0.083 1.00 1.32 H new ATOM 0 HG22 THR A 70 3.424 -10.501 1.832 1.00 1.32 H new ATOM 0 HG23 THR A 70 4.047 -9.016 1.075 1.00 1.32 H new ATOM 1065 N GLY A 71 8.605 -10.818 1.385 1.00 1.12 N ATOM 1066 CA GLY A 71 9.911 -11.469 1.242 1.00 1.14 C ATOM 1067 C GLY A 71 10.236 -11.970 -0.169 1.00 1.10 C ATOM 1068 O GLY A 71 11.286 -12.577 -0.366 1.00 1.23 O ATOM 0 H GLY A 71 8.657 -9.804 1.291 1.00 1.12 H new ATOM 0 HA2 GLY A 71 10.686 -10.766 1.549 1.00 1.14 H new ATOM 0 HA3 GLY A 71 9.956 -12.313 1.930 1.00 1.14 H new ATOM 1072 N GLU A 72 9.347 -11.740 -1.141 1.00 1.04 N ATOM 1073 CA GLU A 72 9.430 -12.344 -2.481 1.00 1.02 C ATOM 1074 C GLU A 72 10.763 -12.074 -3.194 1.00 1.04 C ATOM 1075 O GLU A 72 11.355 -13.001 -3.760 1.00 2.19 O ATOM 1076 CB GLU A 72 8.265 -11.832 -3.349 1.00 1.10 C ATOM 1077 CG GLU A 72 6.915 -12.438 -2.948 1.00 1.13 C ATOM 1078 CD GLU A 72 6.890 -13.956 -3.145 1.00 1.26 C ATOM 1079 OE1 GLU A 72 7.319 -14.431 -4.228 1.00 2.33 O ATOM 1080 OE2 GLU A 72 6.469 -14.676 -2.207 1.00 1.68 O ATOM 0 H GLU A 72 8.542 -11.125 -1.022 1.00 1.04 H new ATOM 0 HA GLU A 72 9.365 -13.423 -2.343 1.00 1.02 H new ATOM 0 HB2 GLU A 72 8.209 -10.746 -3.270 1.00 1.10 H new ATOM 0 HB3 GLU A 72 8.467 -12.065 -4.394 1.00 1.10 H new ATOM 0 HG2 GLU A 72 6.708 -12.204 -1.904 1.00 1.13 H new ATOM 0 HG3 GLU A 72 6.122 -11.982 -3.540 1.00 1.13 H new ATOM 1087 N ALA A 73 11.222 -10.816 -3.173 1.00 1.50 N ATOM 1088 CA ALA A 73 12.468 -10.348 -3.795 1.00 1.52 C ATOM 1089 C ALA A 73 12.554 -10.661 -5.308 1.00 1.17 C ATOM 1090 O ALA A 73 13.631 -10.802 -5.895 1.00 1.23 O ATOM 1091 CB ALA A 73 13.662 -10.778 -2.934 1.00 2.07 C ATOM 0 H ALA A 73 10.715 -10.066 -2.703 1.00 1.50 H new ATOM 0 HA ALA A 73 12.487 -9.258 -3.805 1.00 1.52 H new ATOM 0 HB1 ALA A 73 14.587 -10.431 -3.395 1.00 2.07 H new ATOM 0 HB2 ALA A 73 13.568 -10.344 -1.939 1.00 2.07 H new ATOM 0 HB3 ALA A 73 13.681 -11.865 -2.856 1.00 2.07 H new ATOM 1097 N MET A 74 11.373 -10.753 -5.917 1.00 1.17 N ATOM 1098 CA MET A 74 11.030 -10.959 -7.318 1.00 0.97 C ATOM 1099 C MET A 74 9.644 -10.300 -7.500 1.00 0.83 C ATOM 1100 O MET A 74 8.803 -10.431 -6.601 1.00 0.94 O ATOM 1101 CB MET A 74 10.982 -12.472 -7.589 1.00 1.11 C ATOM 1102 CG MET A 74 10.488 -12.823 -8.993 1.00 1.85 C ATOM 1103 SD MET A 74 10.444 -14.606 -9.311 1.00 2.15 S ATOM 1104 CE MET A 74 9.612 -14.599 -10.923 1.00 3.68 C ATOM 0 H MET A 74 10.522 -10.673 -5.360 1.00 1.17 H new ATOM 0 HA MET A 74 11.750 -10.526 -8.012 1.00 0.97 H new ATOM 0 HB2 MET A 74 11.978 -12.891 -7.447 1.00 1.11 H new ATOM 0 HB3 MET A 74 10.330 -12.945 -6.854 1.00 1.11 H new ATOM 0 HG2 MET A 74 9.489 -12.411 -9.133 1.00 1.85 H new ATOM 0 HG3 MET A 74 11.135 -12.345 -9.729 1.00 1.85 H new ATOM 0 HE1 MET A 74 9.498 -15.623 -11.278 1.00 3.68 H new ATOM 0 HE2 MET A 74 8.629 -14.138 -10.823 1.00 3.68 H new ATOM 0 HE3 MET A 74 10.208 -14.032 -11.638 1.00 3.68 H new ATOM 1114 N PRO A 75 9.383 -9.547 -8.580 1.00 0.80 N ATOM 1115 CA PRO A 75 8.151 -8.768 -8.723 1.00 0.83 C ATOM 1116 C PRO A 75 6.930 -9.638 -9.086 1.00 0.77 C ATOM 1117 O PRO A 75 7.076 -10.705 -9.683 1.00 0.79 O ATOM 1118 CB PRO A 75 8.494 -7.719 -9.779 1.00 1.03 C ATOM 1119 CG PRO A 75 9.493 -8.443 -10.682 1.00 1.35 C ATOM 1120 CD PRO A 75 10.293 -9.272 -9.681 1.00 0.97 C ATOM 0 HA PRO A 75 7.841 -8.306 -7.786 1.00 0.83 H new ATOM 0 HB2 PRO A 75 7.610 -7.400 -10.331 1.00 1.03 H new ATOM 0 HB3 PRO A 75 8.930 -6.826 -9.332 1.00 1.03 H new ATOM 0 HG2 PRO A 75 8.994 -9.069 -11.422 1.00 1.35 H new ATOM 0 HG3 PRO A 75 10.126 -7.745 -11.230 1.00 1.35 H new ATOM 0 HD2 PRO A 75 10.649 -10.197 -10.135 1.00 0.97 H new ATOM 0 HD3 PRO A 75 11.172 -8.727 -9.336 1.00 0.97 H new ATOM 1128 N VAL A 76 5.724 -9.186 -8.722 1.00 0.78 N ATOM 1129 CA VAL A 76 4.460 -9.953 -8.780 1.00 0.81 C ATOM 1130 C VAL A 76 3.355 -9.188 -9.519 1.00 0.73 C ATOM 1131 O VAL A 76 3.121 -8.005 -9.272 1.00 0.65 O ATOM 1132 CB VAL A 76 3.977 -10.333 -7.361 1.00 0.83 C ATOM 1133 CG1 VAL A 76 2.754 -11.259 -7.418 1.00 1.01 C ATOM 1134 CG2 VAL A 76 5.057 -11.064 -6.553 1.00 0.93 C ATOM 0 H VAL A 76 5.590 -8.240 -8.364 1.00 0.78 H new ATOM 0 HA VAL A 76 4.671 -10.864 -9.341 1.00 0.81 H new ATOM 0 HB VAL A 76 3.728 -9.389 -6.876 1.00 0.83 H new ATOM 0 HG11 VAL A 76 2.439 -11.508 -6.405 1.00 1.01 H new ATOM 0 HG12 VAL A 76 1.940 -10.755 -7.938 1.00 1.01 H new ATOM 0 HG13 VAL A 76 3.014 -12.173 -7.952 1.00 1.01 H new ATOM 0 HG21 VAL A 76 4.669 -11.309 -5.564 1.00 0.93 H new ATOM 0 HG22 VAL A 76 5.339 -11.981 -7.069 1.00 0.93 H new ATOM 0 HG23 VAL A 76 5.932 -10.422 -6.450 1.00 0.93 H new ATOM 1144 N ALA A 77 2.639 -9.864 -10.417 1.00 0.80 N ATOM 1145 CA ALA A 77 1.569 -9.287 -11.228 1.00 0.78 C ATOM 1146 C ALA A 77 0.229 -9.146 -10.470 1.00 0.71 C ATOM 1147 O ALA A 77 -0.242 -10.083 -9.815 1.00 0.81 O ATOM 1148 CB ALA A 77 1.421 -10.137 -12.491 1.00 0.90 C ATOM 0 H ALA A 77 2.792 -10.855 -10.605 1.00 0.80 H new ATOM 0 HA ALA A 77 1.844 -8.265 -11.489 1.00 0.78 H new ATOM 0 HB1 ALA A 77 0.627 -9.727 -13.115 1.00 0.90 H new ATOM 0 HB2 ALA A 77 2.359 -10.130 -13.046 1.00 0.90 H new ATOM 0 HB3 ALA A 77 1.171 -11.161 -12.213 1.00 0.90 H new ATOM 1154 N LYS A 78 -0.410 -7.976 -10.603 1.00 0.64 N ATOM 1155 CA LYS A 78 -1.723 -7.621 -10.034 1.00 0.62 C ATOM 1156 C LYS A 78 -2.733 -7.315 -11.151 1.00 0.70 C ATOM 1157 O LYS A 78 -2.369 -6.702 -12.157 1.00 0.87 O ATOM 1158 CB LYS A 78 -1.584 -6.400 -9.101 1.00 0.59 C ATOM 1159 CG LYS A 78 -0.468 -6.472 -8.043 1.00 0.57 C ATOM 1160 CD LYS A 78 -0.571 -7.609 -7.013 1.00 0.59 C ATOM 1161 CE LYS A 78 0.644 -7.540 -6.073 1.00 0.67 C ATOM 1162 NZ LYS A 78 0.484 -8.377 -4.861 1.00 0.75 N ATOM 0 H LYS A 78 -0.005 -7.208 -11.139 1.00 0.64 H new ATOM 0 HA LYS A 78 -2.090 -8.471 -9.458 1.00 0.62 H new ATOM 0 HB2 LYS A 78 -1.415 -5.517 -9.717 1.00 0.59 H new ATOM 0 HB3 LYS A 78 -2.534 -6.253 -8.587 1.00 0.59 H new ATOM 0 HG2 LYS A 78 0.487 -6.566 -8.560 1.00 0.57 H new ATOM 0 HG3 LYS A 78 -0.447 -5.525 -7.504 1.00 0.57 H new ATOM 0 HD2 LYS A 78 -1.495 -7.518 -6.442 1.00 0.59 H new ATOM 0 HD3 LYS A 78 -0.602 -8.574 -7.519 1.00 0.59 H new ATOM 0 HE2 LYS A 78 1.534 -7.860 -6.614 1.00 0.67 H new ATOM 0 HE3 LYS A 78 0.807 -6.505 -5.774 1.00 0.67 H new ATOM 0 HZ1 LYS A 78 1.228 -8.140 -4.174 1.00 0.75 H new ATOM 0 HZ2 LYS A 78 -0.448 -8.198 -4.436 1.00 0.75 H new ATOM 0 HZ3 LYS A 78 0.560 -9.381 -5.120 1.00 0.75 H new ATOM 1176 N LYS A 79 -3.994 -7.698 -10.955 1.00 0.68 N ATOM 1177 CA LYS A 79 -5.140 -7.519 -11.874 1.00 0.77 C ATOM 1178 C LYS A 79 -6.418 -7.208 -11.052 1.00 0.70 C ATOM 1179 O LYS A 79 -6.332 -7.231 -9.819 1.00 0.66 O ATOM 1180 CB LYS A 79 -5.251 -8.797 -12.746 1.00 1.03 C ATOM 1181 CG LYS A 79 -4.342 -8.719 -13.989 1.00 3.06 C ATOM 1182 CD LYS A 79 -4.670 -9.758 -15.075 1.00 3.59 C ATOM 1183 CE LYS A 79 -4.510 -11.203 -14.592 1.00 2.69 C ATOM 1184 NZ LYS A 79 -4.842 -12.178 -15.657 1.00 3.23 N ATOM 0 H LYS A 79 -4.271 -8.174 -10.096 1.00 0.68 H new ATOM 0 HA LYS A 79 -5.002 -6.671 -12.545 1.00 0.77 H new ATOM 0 HB2 LYS A 79 -4.980 -9.669 -12.151 1.00 1.03 H new ATOM 0 HB3 LYS A 79 -6.286 -8.935 -13.060 1.00 1.03 H new ATOM 0 HG2 LYS A 79 -4.420 -7.721 -14.421 1.00 3.06 H new ATOM 0 HG3 LYS A 79 -3.306 -8.851 -13.677 1.00 3.06 H new ATOM 0 HD2 LYS A 79 -5.694 -9.607 -15.417 1.00 3.59 H new ATOM 0 HD3 LYS A 79 -4.020 -9.594 -15.934 1.00 3.59 H new ATOM 0 HE2 LYS A 79 -3.485 -11.364 -14.259 1.00 2.69 H new ATOM 0 HE3 LYS A 79 -5.156 -11.372 -13.730 1.00 2.69 H new ATOM 0 HZ1 LYS A 79 -4.722 -13.145 -15.292 1.00 3.23 H new ATOM 0 HZ2 LYS A 79 -5.828 -12.041 -15.958 1.00 3.23 H new ATOM 0 HZ3 LYS A 79 -4.209 -12.033 -16.470 1.00 3.23 H new ATOM 1198 N PRO A 80 -7.598 -6.907 -11.641 1.00 0.74 N ATOM 1199 CA PRO A 80 -8.844 -6.807 -10.869 1.00 0.74 C ATOM 1200 C PRO A 80 -9.163 -8.129 -10.147 1.00 0.80 C ATOM 1201 O PRO A 80 -9.167 -9.202 -10.758 1.00 0.99 O ATOM 1202 CB PRO A 80 -9.931 -6.425 -11.881 1.00 0.81 C ATOM 1203 CG PRO A 80 -9.378 -6.938 -13.212 1.00 0.86 C ATOM 1204 CD PRO A 80 -7.885 -6.670 -13.052 1.00 0.82 C ATOM 0 HA PRO A 80 -8.769 -6.060 -10.079 1.00 0.74 H new ATOM 0 HB2 PRO A 80 -10.887 -6.890 -11.638 1.00 0.81 H new ATOM 0 HB3 PRO A 80 -10.097 -5.348 -11.904 1.00 0.81 H new ATOM 0 HG2 PRO A 80 -9.590 -7.997 -13.362 1.00 0.86 H new ATOM 0 HG3 PRO A 80 -9.800 -6.404 -14.063 1.00 0.86 H new ATOM 0 HD2 PRO A 80 -7.297 -7.331 -13.689 1.00 0.82 H new ATOM 0 HD3 PRO A 80 -7.637 -5.648 -13.337 1.00 0.82 H new ATOM 1212 N GLY A 81 -9.407 -8.067 -8.837 1.00 0.75 N ATOM 1213 CA GLY A 81 -9.520 -9.233 -7.953 1.00 0.85 C ATOM 1214 C GLY A 81 -8.190 -9.725 -7.365 1.00 0.83 C ATOM 1215 O GLY A 81 -8.035 -10.933 -7.169 1.00 1.03 O ATOM 0 H GLY A 81 -9.535 -7.182 -8.347 1.00 0.75 H new ATOM 0 HA2 GLY A 81 -10.195 -8.986 -7.133 1.00 0.85 H new ATOM 0 HA3 GLY A 81 -9.980 -10.050 -8.509 1.00 0.85 H new ATOM 1219 N SER A 82 -7.239 -8.824 -7.085 1.00 0.68 N ATOM 1220 CA SER A 82 -5.925 -9.132 -6.470 1.00 0.62 C ATOM 1221 C SER A 82 -5.736 -8.365 -5.149 1.00 0.60 C ATOM 1222 O SER A 82 -6.514 -7.463 -4.856 1.00 0.71 O ATOM 1223 CB SER A 82 -4.788 -8.765 -7.435 1.00 0.56 C ATOM 1224 OG SER A 82 -4.733 -9.618 -8.562 1.00 1.76 O ATOM 0 H SER A 82 -7.358 -7.830 -7.283 1.00 0.68 H new ATOM 0 HA SER A 82 -5.899 -10.201 -6.261 1.00 0.62 H new ATOM 0 HB2 SER A 82 -4.918 -7.736 -7.769 1.00 0.56 H new ATOM 0 HB3 SER A 82 -3.837 -8.810 -6.904 1.00 0.56 H new ATOM 0 HG SER A 82 -3.807 -9.688 -8.874 1.00 1.76 H new ATOM 1230 N THR A 83 -4.696 -8.650 -4.355 1.00 0.64 N ATOM 1231 CA THR A 83 -4.399 -7.916 -3.100 1.00 0.65 C ATOM 1232 C THR A 83 -2.996 -7.293 -3.074 1.00 0.62 C ATOM 1233 O THR A 83 -2.067 -7.780 -3.725 1.00 0.63 O ATOM 1234 CB THR A 83 -4.632 -8.787 -1.855 1.00 0.72 C ATOM 1235 OG1 THR A 83 -3.836 -9.950 -1.902 1.00 0.77 O ATOM 1236 CG2 THR A 83 -6.093 -9.217 -1.707 1.00 0.81 C ATOM 0 H THR A 83 -4.031 -9.396 -4.558 1.00 0.64 H new ATOM 0 HA THR A 83 -5.108 -7.089 -3.076 1.00 0.65 H new ATOM 0 HB THR A 83 -4.358 -8.169 -1.000 1.00 0.72 H new ATOM 0 HG1 THR A 83 -3.998 -10.490 -1.100 1.00 0.77 H new ATOM 0 HG21 THR A 83 -6.203 -9.830 -0.812 1.00 0.81 H new ATOM 0 HG22 THR A 83 -6.725 -8.333 -1.622 1.00 0.81 H new ATOM 0 HG23 THR A 83 -6.393 -9.795 -2.582 1.00 0.81 H new ATOM 1244 N VAL A 84 -2.851 -6.186 -2.336 1.00 0.62 N ATOM 1245 CA VAL A 84 -1.607 -5.402 -2.183 1.00 0.59 C ATOM 1246 C VAL A 84 -1.399 -4.917 -0.743 1.00 0.62 C ATOM 1247 O VAL A 84 -2.356 -4.749 0.018 1.00 0.69 O ATOM 1248 CB VAL A 84 -1.561 -4.186 -3.135 1.00 0.60 C ATOM 1249 CG1 VAL A 84 -1.396 -4.614 -4.598 1.00 0.61 C ATOM 1250 CG2 VAL A 84 -2.796 -3.283 -3.017 1.00 0.65 C ATOM 0 H VAL A 84 -3.627 -5.791 -1.804 1.00 0.62 H new ATOM 0 HA VAL A 84 -0.800 -6.086 -2.445 1.00 0.59 H new ATOM 0 HB VAL A 84 -0.689 -3.613 -2.822 1.00 0.60 H new ATOM 0 HG11 VAL A 84 -1.368 -3.730 -5.235 1.00 0.61 H new ATOM 0 HG12 VAL A 84 -0.467 -5.172 -4.711 1.00 0.61 H new ATOM 0 HG13 VAL A 84 -2.236 -5.245 -4.889 1.00 0.61 H new ATOM 0 HG21 VAL A 84 -2.703 -2.447 -3.711 1.00 0.65 H new ATOM 0 HG22 VAL A 84 -3.691 -3.857 -3.258 1.00 0.65 H new ATOM 0 HG23 VAL A 84 -2.872 -2.902 -1.999 1.00 0.65 H new ATOM 1260 N ILE A 85 -0.138 -4.648 -0.394 1.00 0.62 N ATOM 1261 CA ILE A 85 0.316 -4.156 0.919 1.00 0.64 C ATOM 1262 C ILE A 85 1.112 -2.845 0.809 1.00 0.64 C ATOM 1263 O ILE A 85 1.651 -2.502 -0.242 1.00 0.97 O ATOM 1264 CB ILE A 85 1.104 -5.242 1.705 1.00 0.66 C ATOM 1265 CG1 ILE A 85 1.932 -6.235 0.857 1.00 0.92 C ATOM 1266 CG2 ILE A 85 0.154 -6.053 2.595 1.00 0.88 C ATOM 1267 CD1 ILE A 85 3.041 -5.549 0.061 1.00 0.62 C ATOM 0 H ILE A 85 0.635 -4.772 -1.048 1.00 0.62 H new ATOM 0 HA ILE A 85 -0.583 -3.931 1.493 1.00 0.64 H new ATOM 0 HB ILE A 85 1.825 -4.665 2.283 1.00 0.66 H new ATOM 0 HG12 ILE A 85 2.372 -6.987 1.512 1.00 0.92 H new ATOM 0 HG13 ILE A 85 1.269 -6.760 0.170 1.00 0.92 H new ATOM 0 HG21 ILE A 85 0.721 -6.809 3.138 1.00 0.88 H new ATOM 0 HG22 ILE A 85 -0.337 -5.387 3.305 1.00 0.88 H new ATOM 0 HG23 ILE A 85 -0.599 -6.540 1.975 1.00 0.88 H new ATOM 0 HD11 ILE A 85 3.589 -6.294 -0.515 1.00 0.62 H new ATOM 0 HD12 ILE A 85 2.603 -4.816 -0.617 1.00 0.62 H new ATOM 0 HD13 ILE A 85 3.723 -5.046 0.746 1.00 0.62 H new ATOM 1279 N ALA A 86 1.193 -2.102 1.916 1.00 0.51 N ATOM 1280 CA ALA A 86 1.979 -0.871 1.996 1.00 0.56 C ATOM 1281 C ALA A 86 3.494 -1.129 1.864 1.00 0.59 C ATOM 1282 O ALA A 86 3.994 -2.178 2.261 1.00 0.61 O ATOM 1283 CB ALA A 86 1.642 -0.157 3.306 1.00 0.65 C ATOM 0 H ALA A 86 0.713 -2.339 2.784 1.00 0.51 H new ATOM 0 HA ALA A 86 1.715 -0.233 1.153 1.00 0.56 H new ATOM 0 HB1 ALA A 86 2.222 0.763 3.378 1.00 0.65 H new ATOM 0 HB2 ALA A 86 0.579 0.081 3.327 1.00 0.65 H new ATOM 0 HB3 ALA A 86 1.885 -0.806 4.147 1.00 0.65 H new ATOM 1289 N GLY A 87 4.230 -0.158 1.320 1.00 0.69 N ATOM 1290 CA GLY A 87 5.682 -0.257 1.098 1.00 0.84 C ATOM 1291 C GLY A 87 6.101 -1.012 -0.169 1.00 0.80 C ATOM 1292 O GLY A 87 7.287 -1.075 -0.491 1.00 1.03 O ATOM 0 H GLY A 87 3.834 0.732 1.016 1.00 0.69 H new ATOM 0 HA2 GLY A 87 6.096 0.750 1.054 1.00 0.84 H new ATOM 0 HA3 GLY A 87 6.132 -0.749 1.960 1.00 0.84 H new ATOM 1296 N SER A 88 5.139 -1.547 -0.920 1.00 0.63 N ATOM 1297 CA SER A 88 5.375 -2.078 -2.262 1.00 0.67 C ATOM 1298 C SER A 88 5.485 -0.962 -3.313 1.00 0.52 C ATOM 1299 O SER A 88 4.878 0.104 -3.159 1.00 0.51 O ATOM 1300 CB SER A 88 4.258 -3.055 -2.635 1.00 0.91 C ATOM 1301 OG SER A 88 4.671 -4.380 -2.418 1.00 1.96 O ATOM 0 H SER A 88 4.169 -1.625 -0.613 1.00 0.63 H new ATOM 0 HA SER A 88 6.330 -2.603 -2.250 1.00 0.67 H new ATOM 0 HB2 SER A 88 3.368 -2.843 -2.042 1.00 0.91 H new ATOM 0 HB3 SER A 88 3.983 -2.920 -3.681 1.00 0.91 H new ATOM 0 HG SER A 88 5.355 -4.622 -3.077 1.00 1.96 H new ATOM 1307 N ILE A 89 6.216 -1.229 -4.403 1.00 0.53 N ATOM 1308 CA ILE A 89 6.418 -0.301 -5.537 1.00 0.52 C ATOM 1309 C ILE A 89 5.655 -0.792 -6.776 1.00 0.50 C ATOM 1310 O ILE A 89 5.815 -1.947 -7.166 1.00 0.58 O ATOM 1311 CB ILE A 89 7.917 -0.118 -5.890 1.00 0.59 C ATOM 1312 CG1 ILE A 89 8.907 -0.224 -4.709 1.00 0.66 C ATOM 1313 CG2 ILE A 89 8.108 1.211 -6.644 1.00 0.70 C ATOM 1314 CD1 ILE A 89 8.765 0.823 -3.598 1.00 0.73 C ATOM 0 H ILE A 89 6.699 -2.119 -4.529 1.00 0.53 H new ATOM 0 HA ILE A 89 6.029 0.668 -5.224 1.00 0.52 H new ATOM 0 HB ILE A 89 8.171 -0.969 -6.522 1.00 0.59 H new ATOM 0 HG12 ILE A 89 8.799 -1.212 -4.262 1.00 0.66 H new ATOM 0 HG13 ILE A 89 9.920 -0.163 -5.107 1.00 0.66 H new ATOM 0 HG21 ILE A 89 9.161 1.340 -6.892 1.00 0.70 H new ATOM 0 HG22 ILE A 89 7.518 1.197 -7.560 1.00 0.70 H new ATOM 0 HG23 ILE A 89 7.780 2.037 -6.014 1.00 0.70 H new ATOM 0 HD11 ILE A 89 9.515 0.641 -2.829 1.00 0.73 H new ATOM 0 HD12 ILE A 89 8.908 1.819 -4.016 1.00 0.73 H new ATOM 0 HD13 ILE A 89 7.770 0.754 -3.158 1.00 0.73 H new ATOM 1326 N ASN A 90 4.866 0.075 -7.417 1.00 0.47 N ATOM 1327 CA ASN A 90 4.039 -0.217 -8.597 1.00 0.50 C ATOM 1328 C ASN A 90 4.767 0.143 -9.914 1.00 0.67 C ATOM 1329 O ASN A 90 5.473 1.153 -9.965 1.00 0.73 O ATOM 1330 CB ASN A 90 2.718 0.557 -8.423 1.00 0.52 C ATOM 1331 CG ASN A 90 1.654 0.173 -9.422 1.00 0.75 C ATOM 1332 OD1 ASN A 90 1.114 -0.917 -9.394 1.00 1.66 O ATOM 1333 ND2 ASN A 90 1.297 1.064 -10.310 1.00 0.47 N ATOM 0 H ASN A 90 4.781 1.046 -7.115 1.00 0.47 H new ATOM 0 HA ASN A 90 3.838 -1.286 -8.671 1.00 0.50 H new ATOM 0 HB2 ASN A 90 2.337 0.386 -7.416 1.00 0.52 H new ATOM 0 HB3 ASN A 90 2.918 1.625 -8.511 1.00 0.52 H new ATOM 0 HD21 ASN A 90 0.563 0.847 -10.984 1.00 0.47 H new ATOM 0 HD22 ASN A 90 1.753 1.976 -10.329 1.00 0.47 H new ATOM 1340 N GLN A 91 4.609 -0.651 -10.981 1.00 0.81 N ATOM 1341 CA GLN A 91 5.348 -0.483 -12.246 1.00 0.92 C ATOM 1342 C GLN A 91 4.631 0.405 -13.286 1.00 1.65 C ATOM 1343 O GLN A 91 4.725 1.631 -13.181 1.00 3.36 O ATOM 1344 CB GLN A 91 5.853 -1.830 -12.802 1.00 1.51 C ATOM 1345 CG GLN A 91 7.197 -2.312 -12.224 1.00 1.96 C ATOM 1346 CD GLN A 91 7.154 -2.818 -10.785 1.00 3.76 C ATOM 1347 OE1 GLN A 91 7.081 -4.012 -10.528 1.00 5.10 O ATOM 1348 NE2 GLN A 91 7.266 -1.957 -9.798 1.00 4.39 N ATOM 0 H GLN A 91 3.959 -1.437 -10.994 1.00 0.81 H new ATOM 0 HA GLN A 91 6.240 0.093 -12.000 1.00 0.92 H new ATOM 0 HB2 GLN A 91 5.098 -2.592 -12.608 1.00 1.51 H new ATOM 0 HB3 GLN A 91 5.950 -1.745 -13.884 1.00 1.51 H new ATOM 0 HG2 GLN A 91 7.579 -3.111 -12.859 1.00 1.96 H new ATOM 0 HG3 GLN A 91 7.911 -1.491 -12.280 1.00 1.96 H new ATOM 0 HE21 GLN A 91 7.328 -0.958 -9.997 1.00 4.39 H new ATOM 0 HE22 GLN A 91 7.291 -2.287 -8.833 1.00 4.39 H new ATOM 1357 N ASN A 92 3.971 -0.154 -14.311 1.00 1.04 N ATOM 1358 CA ASN A 92 3.488 0.610 -15.476 1.00 1.63 C ATOM 1359 C ASN A 92 2.003 1.008 -15.432 1.00 1.73 C ATOM 1360 O ASN A 92 1.675 2.128 -15.823 1.00 3.19 O ATOM 1361 CB ASN A 92 3.848 -0.173 -16.749 1.00 2.29 C ATOM 1362 CG ASN A 92 3.225 0.428 -17.996 1.00 2.92 C ATOM 1363 OD1 ASN A 92 3.655 1.451 -18.514 1.00 3.66 O ATOM 1364 ND2 ASN A 92 2.158 -0.162 -18.476 1.00 2.87 N ATOM 0 H ASN A 92 3.756 -1.150 -14.358 1.00 1.04 H new ATOM 0 HA ASN A 92 3.995 1.575 -15.464 1.00 1.63 H new ATOM 0 HB2 ASN A 92 4.932 -0.196 -16.863 1.00 2.29 H new ATOM 0 HB3 ASN A 92 3.516 -1.206 -16.643 1.00 2.29 H new ATOM 0 HD21 ASN A 92 1.679 0.230 -19.287 1.00 2.87 H new ATOM 0 HD22 ASN A 92 1.806 -1.014 -18.039 1.00 2.87 H new ATOM 1371 N GLY A 93 1.102 0.131 -14.993 1.00 0.91 N ATOM 1372 CA GLY A 93 -0.339 0.410 -14.978 1.00 1.22 C ATOM 1373 C GLY A 93 -0.817 1.153 -13.729 1.00 1.14 C ATOM 1374 O GLY A 93 -0.380 0.853 -12.612 1.00 1.85 O ATOM 0 H GLY A 93 1.347 -0.793 -14.637 1.00 0.91 H new ATOM 0 HA2 GLY A 93 -0.593 1.000 -15.859 1.00 1.22 H new ATOM 0 HA3 GLY A 93 -0.882 -0.532 -15.058 1.00 1.22 H new ATOM 1378 N SER A 94 -1.740 2.104 -13.905 1.00 0.94 N ATOM 1379 CA SER A 94 -2.471 2.745 -12.804 1.00 0.87 C ATOM 1380 C SER A 94 -3.688 1.905 -12.411 1.00 0.80 C ATOM 1381 O SER A 94 -4.491 1.520 -13.269 1.00 1.03 O ATOM 1382 CB SER A 94 -2.896 4.169 -13.173 1.00 1.30 C ATOM 1383 OG SER A 94 -3.499 4.807 -12.061 1.00 2.62 O ATOM 0 H SER A 94 -2.004 2.455 -14.825 1.00 0.94 H new ATOM 0 HA SER A 94 -1.800 2.810 -11.948 1.00 0.87 H new ATOM 0 HB2 SER A 94 -2.028 4.741 -13.502 1.00 1.30 H new ATOM 0 HB3 SER A 94 -3.596 4.142 -14.008 1.00 1.30 H new ATOM 0 HG SER A 94 -2.890 4.773 -11.294 1.00 2.62 H new ATOM 1389 N LEU A 95 -3.822 1.625 -11.114 1.00 0.66 N ATOM 1390 CA LEU A 95 -4.827 0.724 -10.539 1.00 0.60 C ATOM 1391 C LEU A 95 -5.716 1.467 -9.530 1.00 0.56 C ATOM 1392 O LEU A 95 -5.280 2.473 -8.964 1.00 0.56 O ATOM 1393 CB LEU A 95 -4.136 -0.452 -9.813 1.00 0.56 C ATOM 1394 CG LEU A 95 -2.957 -1.157 -10.491 1.00 0.71 C ATOM 1395 CD1 LEU A 95 -2.313 -2.156 -9.526 1.00 0.70 C ATOM 1396 CD2 LEU A 95 -3.454 -1.907 -11.704 1.00 0.96 C ATOM 0 H LEU A 95 -3.211 2.034 -10.407 1.00 0.66 H new ATOM 0 HA LEU A 95 -5.443 0.349 -11.357 1.00 0.60 H new ATOM 0 HB2 LEU A 95 -3.788 -0.083 -8.848 1.00 0.56 H new ATOM 0 HB3 LEU A 95 -4.897 -1.206 -9.610 1.00 0.56 H new ATOM 0 HG LEU A 95 -2.221 -0.409 -10.784 1.00 0.71 H new ATOM 0 HD11 LEU A 95 -1.476 -2.651 -10.019 1.00 0.70 H new ATOM 0 HD12 LEU A 95 -1.953 -1.628 -8.643 1.00 0.70 H new ATOM 0 HD13 LEU A 95 -3.051 -2.901 -9.228 1.00 0.70 H new ATOM 0 HD21 LEU A 95 -2.617 -2.410 -12.189 1.00 0.96 H new ATOM 0 HD22 LEU A 95 -4.193 -2.647 -11.397 1.00 0.96 H new ATOM 0 HD23 LEU A 95 -3.911 -1.206 -12.403 1.00 0.96 H new ATOM 1408 N LEU A 96 -6.916 0.947 -9.246 1.00 0.59 N ATOM 1409 CA LEU A 96 -7.755 1.418 -8.130 1.00 0.57 C ATOM 1410 C LEU A 96 -7.871 0.319 -7.064 1.00 0.51 C ATOM 1411 O LEU A 96 -8.181 -0.839 -7.367 1.00 0.53 O ATOM 1412 CB LEU A 96 -9.145 1.922 -8.570 1.00 0.81 C ATOM 1413 CG LEU A 96 -9.184 3.281 -9.301 1.00 1.08 C ATOM 1414 CD1 LEU A 96 -8.491 3.285 -10.663 1.00 1.76 C ATOM 1415 CD2 LEU A 96 -10.638 3.689 -9.536 1.00 1.75 C ATOM 0 H LEU A 96 -7.336 0.187 -9.782 1.00 0.59 H new ATOM 0 HA LEU A 96 -7.255 2.287 -7.703 1.00 0.57 H new ATOM 0 HB2 LEU A 96 -9.590 1.171 -9.222 1.00 0.81 H new ATOM 0 HB3 LEU A 96 -9.779 1.992 -7.686 1.00 0.81 H new ATOM 0 HG LEU A 96 -8.648 3.974 -8.653 1.00 1.08 H new ATOM 0 HD11 LEU A 96 -8.566 4.278 -11.106 1.00 1.76 H new ATOM 0 HD12 LEU A 96 -7.441 3.022 -10.538 1.00 1.76 H new ATOM 0 HD13 LEU A 96 -8.972 2.558 -11.318 1.00 1.76 H new ATOM 0 HD21 LEU A 96 -10.668 4.649 -10.052 1.00 1.75 H new ATOM 0 HD22 LEU A 96 -11.134 2.934 -10.146 1.00 1.75 H new ATOM 0 HD23 LEU A 96 -11.151 3.776 -8.578 1.00 1.75 H new ATOM 1427 N ILE A 97 -7.607 0.704 -5.815 1.00 0.52 N ATOM 1428 CA ILE A 97 -7.527 -0.179 -4.650 1.00 0.54 C ATOM 1429 C ILE A 97 -8.511 0.280 -3.569 1.00 0.47 C ATOM 1430 O ILE A 97 -8.481 1.439 -3.155 1.00 0.48 O ATOM 1431 CB ILE A 97 -6.077 -0.205 -4.103 1.00 0.65 C ATOM 1432 CG1 ILE A 97 -5.043 -0.572 -5.195 1.00 0.97 C ATOM 1433 CG2 ILE A 97 -5.923 -1.203 -2.941 1.00 0.67 C ATOM 1434 CD1 ILE A 97 -4.434 0.644 -5.905 1.00 1.12 C ATOM 0 H ILE A 97 -7.436 1.681 -5.577 1.00 0.52 H new ATOM 0 HA ILE A 97 -7.800 -1.191 -4.950 1.00 0.54 H new ATOM 0 HB ILE A 97 -5.882 0.807 -3.749 1.00 0.65 H new ATOM 0 HG12 ILE A 97 -4.242 -1.155 -4.742 1.00 0.97 H new ATOM 0 HG13 ILE A 97 -5.523 -1.211 -5.936 1.00 0.97 H new ATOM 0 HG21 ILE A 97 -4.893 -1.191 -2.586 1.00 0.67 H new ATOM 0 HG22 ILE A 97 -6.591 -0.920 -2.127 1.00 0.67 H new ATOM 0 HG23 ILE A 97 -6.177 -2.205 -3.286 1.00 0.67 H new ATOM 0 HD11 ILE A 97 -3.719 0.307 -6.656 1.00 1.12 H new ATOM 0 HD12 ILE A 97 -5.225 1.217 -6.389 1.00 1.12 H new ATOM 0 HD13 ILE A 97 -3.924 1.273 -5.176 1.00 1.12 H new ATOM 1446 N CYS A 98 -9.352 -0.622 -3.066 1.00 0.49 N ATOM 1447 CA CYS A 98 -10.154 -0.358 -1.873 1.00 0.49 C ATOM 1448 C CYS A 98 -9.274 -0.608 -0.634 1.00 0.57 C ATOM 1449 O CYS A 98 -8.864 -1.741 -0.360 1.00 0.66 O ATOM 1450 CB CYS A 98 -11.465 -1.162 -1.918 1.00 0.56 C ATOM 1451 SG CYS A 98 -11.180 -2.940 -2.106 1.00 1.51 S ATOM 0 H CYS A 98 -9.496 -1.548 -3.469 1.00 0.49 H new ATOM 0 HA CYS A 98 -10.476 0.682 -1.824 1.00 0.49 H new ATOM 0 HB2 CYS A 98 -12.030 -0.982 -1.003 1.00 0.56 H new ATOM 0 HB3 CYS A 98 -12.078 -0.806 -2.746 1.00 0.56 H new ATOM 0 HG CYS A 98 -10.078 -3.135 -2.767 1.00 1.51 H new ATOM 1457 N ALA A 99 -8.936 0.466 0.088 1.00 0.65 N ATOM 1458 CA ALA A 99 -8.065 0.418 1.260 1.00 0.83 C ATOM 1459 C ALA A 99 -8.832 -0.090 2.491 1.00 0.96 C ATOM 1460 O ALA A 99 -10.010 0.235 2.657 1.00 1.06 O ATOM 1461 CB ALA A 99 -7.481 1.815 1.497 1.00 0.95 C ATOM 0 H ALA A 99 -9.267 1.406 -0.132 1.00 0.65 H new ATOM 0 HA ALA A 99 -7.249 -0.283 1.085 1.00 0.83 H new ATOM 0 HB1 ALA A 99 -6.828 1.793 2.370 1.00 0.95 H new ATOM 0 HB2 ALA A 99 -6.908 2.123 0.623 1.00 0.95 H new ATOM 0 HB3 ALA A 99 -8.291 2.524 1.667 1.00 0.95 H new ATOM 1467 N THR A 100 -8.168 -0.880 3.344 1.00 1.12 N ATOM 1468 CA THR A 100 -8.841 -1.609 4.441 1.00 1.26 C ATOM 1469 C THR A 100 -8.181 -1.499 5.822 1.00 1.24 C ATOM 1470 O THR A 100 -8.700 -2.040 6.797 1.00 1.30 O ATOM 1471 CB THR A 100 -9.108 -3.059 4.002 1.00 1.40 C ATOM 1472 OG1 THR A 100 -10.227 -3.563 4.689 1.00 1.97 O ATOM 1473 CG2 THR A 100 -7.925 -4.004 4.209 1.00 2.99 C ATOM 0 H THR A 100 -7.161 -1.035 3.300 1.00 1.12 H new ATOM 0 HA THR A 100 -9.792 -1.104 4.611 1.00 1.26 H new ATOM 0 HB THR A 100 -9.288 -3.019 2.928 1.00 1.40 H new ATOM 0 HG1 THR A 100 -10.205 -3.257 5.620 1.00 1.97 H new ATOM 0 HG21 THR A 100 -8.196 -5.005 3.874 1.00 2.99 H new ATOM 0 HG22 THR A 100 -7.070 -3.648 3.634 1.00 2.99 H new ATOM 0 HG23 THR A 100 -7.664 -4.033 5.267 1.00 2.99 H new ATOM 1481 N HIS A 101 -7.109 -0.712 5.954 1.00 1.16 N ATOM 1482 CA HIS A 101 -6.487 -0.350 7.233 1.00 1.10 C ATOM 1483 C HIS A 101 -5.935 1.082 7.204 1.00 1.04 C ATOM 1484 O HIS A 101 -5.522 1.573 6.154 1.00 1.00 O ATOM 1485 CB HIS A 101 -5.341 -1.320 7.563 1.00 1.25 C ATOM 1486 CG HIS A 101 -5.794 -2.720 7.878 1.00 1.50 C ATOM 1487 ND1 HIS A 101 -5.627 -3.828 7.085 1.00 1.73 N ATOM 1488 CD2 HIS A 101 -6.491 -3.119 8.986 1.00 1.70 C ATOM 1489 CE1 HIS A 101 -6.217 -4.867 7.695 1.00 1.98 C ATOM 1490 NE2 HIS A 101 -6.745 -4.491 8.875 1.00 1.97 N ATOM 0 H HIS A 101 -6.636 -0.297 5.151 1.00 1.16 H new ATOM 0 HA HIS A 101 -7.260 -0.413 7.999 1.00 1.10 H new ATOM 0 HB2 HIS A 101 -4.653 -1.353 6.718 1.00 1.25 H new ATOM 0 HB3 HIS A 101 -4.783 -0.930 8.414 1.00 1.25 H new ATOM 0 HD1 HIS A 101 -5.140 -3.856 6.189 1.00 1.73 H new ATOM 0 HD2 HIS A 101 -6.793 -2.484 9.806 1.00 1.70 H new ATOM 0 HE1 HIS A 101 -6.262 -5.869 7.294 1.00 1.98 H new ATOM 1498 N VAL A 102 -5.904 1.736 8.369 1.00 1.08 N ATOM 1499 CA VAL A 102 -5.187 3.008 8.588 1.00 1.10 C ATOM 1500 C VAL A 102 -3.693 2.756 8.850 1.00 1.16 C ATOM 1501 O VAL A 102 -3.276 1.609 9.030 1.00 1.21 O ATOM 1502 CB VAL A 102 -5.840 3.848 9.705 1.00 1.24 C ATOM 1503 CG1 VAL A 102 -7.214 4.349 9.264 1.00 1.48 C ATOM 1504 CG2 VAL A 102 -5.982 3.104 11.038 1.00 1.81 C ATOM 0 H VAL A 102 -6.382 1.396 9.203 1.00 1.08 H new ATOM 0 HA VAL A 102 -5.264 3.597 7.674 1.00 1.10 H new ATOM 0 HB VAL A 102 -5.162 4.684 9.876 1.00 1.24 H new ATOM 0 HG11 VAL A 102 -7.660 4.940 10.064 1.00 1.48 H new ATOM 0 HG12 VAL A 102 -7.107 4.968 8.373 1.00 1.48 H new ATOM 0 HG13 VAL A 102 -7.857 3.498 9.040 1.00 1.48 H new ATOM 0 HG21 VAL A 102 -6.449 3.760 11.773 1.00 1.81 H new ATOM 0 HG22 VAL A 102 -6.601 2.218 10.896 1.00 1.81 H new ATOM 0 HG23 VAL A 102 -4.996 2.804 11.394 1.00 1.81 H new ATOM 1514 N GLY A 103 -2.861 3.801 8.897 1.00 1.27 N ATOM 1515 CA GLY A 103 -1.404 3.662 9.031 1.00 1.42 C ATOM 1516 C GLY A 103 -0.939 3.020 10.346 1.00 1.52 C ATOM 1517 O GLY A 103 0.100 2.362 10.366 1.00 1.73 O ATOM 0 H GLY A 103 -3.177 4.769 8.843 1.00 1.27 H new ATOM 0 HA2 GLY A 103 -1.032 3.064 8.199 1.00 1.42 H new ATOM 0 HA3 GLY A 103 -0.949 4.649 8.943 1.00 1.42 H new ATOM 1521 N ALA A 104 -1.693 3.172 11.438 1.00 1.49 N ATOM 1522 CA ALA A 104 -1.478 2.433 12.684 1.00 1.56 C ATOM 1523 C ALA A 104 -1.916 0.952 12.608 1.00 1.41 C ATOM 1524 O ALA A 104 -1.245 0.073 13.149 1.00 1.45 O ATOM 1525 CB ALA A 104 -2.208 3.178 13.809 1.00 1.79 C ATOM 0 H ALA A 104 -2.480 3.820 11.482 1.00 1.49 H new ATOM 0 HA ALA A 104 -0.407 2.395 12.881 1.00 1.56 H new ATOM 0 HB1 ALA A 104 -2.064 2.647 14.750 1.00 1.79 H new ATOM 0 HB2 ALA A 104 -1.807 4.188 13.897 1.00 1.79 H new ATOM 0 HB3 ALA A 104 -3.273 3.229 13.581 1.00 1.79 H new ATOM 1531 N ASP A 105 -3.076 0.685 11.999 1.00 1.31 N ATOM 1532 CA ASP A 105 -3.732 -0.635 11.942 1.00 1.26 C ATOM 1533 C ASP A 105 -3.168 -1.643 10.910 1.00 1.01 C ATOM 1534 O ASP A 105 -3.551 -2.815 10.918 1.00 1.10 O ATOM 1535 CB ASP A 105 -5.258 -0.437 11.833 1.00 1.50 C ATOM 1536 CG ASP A 105 -6.070 -1.539 12.525 1.00 1.95 C ATOM 1537 OD1 ASP A 105 -5.612 -2.062 13.568 1.00 2.91 O ATOM 1538 OD2 ASP A 105 -7.204 -1.832 12.089 1.00 2.24 O ATOM 0 H ASP A 105 -3.608 1.407 11.512 1.00 1.31 H new ATOM 0 HA ASP A 105 -3.490 -1.135 12.880 1.00 1.26 H new ATOM 0 HB2 ASP A 105 -5.523 0.526 12.269 1.00 1.50 H new ATOM 0 HB3 ASP A 105 -5.537 -0.398 10.780 1.00 1.50 H new ATOM 1543 N THR A 106 -2.284 -1.196 10.011 1.00 0.87 N ATOM 1544 CA THR A 106 -1.706 -1.992 8.907 1.00 0.84 C ATOM 1545 C THR A 106 -0.497 -2.834 9.331 1.00 0.97 C ATOM 1546 O THR A 106 0.223 -2.480 10.268 1.00 1.10 O ATOM 1547 CB THR A 106 -1.335 -1.084 7.719 1.00 0.97 C ATOM 1548 OG1 THR A 106 -0.923 -1.833 6.598 1.00 2.57 O ATOM 1549 CG2 THR A 106 -0.193 -0.111 8.004 1.00 1.79 C ATOM 0 H THR A 106 -1.935 -0.238 10.027 1.00 0.87 H new ATOM 0 HA THR A 106 -2.481 -2.694 8.601 1.00 0.84 H new ATOM 0 HB THR A 106 -2.254 -0.528 7.532 1.00 0.97 H new ATOM 0 HG1 THR A 106 -1.685 -2.338 6.244 1.00 2.57 H new ATOM 0 HG21 THR A 106 0.004 0.490 7.116 1.00 1.79 H new ATOM 0 HG22 THR A 106 -0.470 0.543 8.830 1.00 1.79 H new ATOM 0 HG23 THR A 106 0.704 -0.670 8.269 1.00 1.79 H new ATOM 1557 N THR A 107 -0.223 -3.909 8.581 1.00 1.09 N ATOM 1558 CA THR A 107 0.887 -4.865 8.770 1.00 1.32 C ATOM 1559 C THR A 107 2.213 -4.218 9.191 1.00 1.24 C ATOM 1560 O THR A 107 2.851 -4.706 10.116 1.00 1.20 O ATOM 1561 CB THR A 107 1.092 -5.689 7.483 1.00 1.84 C ATOM 1562 OG1 THR A 107 0.012 -6.578 7.319 1.00 2.18 O ATOM 1563 CG2 THR A 107 2.333 -6.581 7.484 1.00 2.31 C ATOM 0 H THR A 107 -0.802 -4.153 7.777 1.00 1.09 H new ATOM 0 HA THR A 107 0.591 -5.508 9.599 1.00 1.32 H new ATOM 0 HB THR A 107 1.188 -4.943 6.694 1.00 1.84 H new ATOM 0 HG1 THR A 107 0.140 -7.101 6.500 1.00 2.18 H new ATOM 0 HG21 THR A 107 2.394 -7.121 6.539 1.00 2.31 H new ATOM 0 HG22 THR A 107 3.224 -5.965 7.608 1.00 2.31 H new ATOM 0 HG23 THR A 107 2.268 -7.294 8.306 1.00 2.31 H new ATOM 1571 N LEU A 108 2.631 -3.106 8.581 1.00 1.27 N ATOM 1572 CA LEU A 108 3.938 -2.483 8.852 1.00 1.27 C ATOM 1573 C LEU A 108 4.051 -2.000 10.308 1.00 1.14 C ATOM 1574 O LEU A 108 5.030 -2.292 10.992 1.00 1.16 O ATOM 1575 CB LEU A 108 4.157 -1.294 7.894 1.00 1.41 C ATOM 1576 CG LEU A 108 4.493 -1.633 6.429 1.00 0.73 C ATOM 1577 CD1 LEU A 108 3.463 -2.540 5.771 1.00 1.37 C ATOM 1578 CD2 LEU A 108 4.478 -0.347 5.612 1.00 0.80 C ATOM 0 H LEU A 108 2.076 -2.609 7.884 1.00 1.27 H new ATOM 0 HA LEU A 108 4.706 -3.239 8.690 1.00 1.27 H new ATOM 0 HB2 LEU A 108 3.256 -0.681 7.902 1.00 1.41 H new ATOM 0 HB3 LEU A 108 4.964 -0.680 8.294 1.00 1.41 H new ATOM 0 HG LEU A 108 5.461 -2.134 6.448 1.00 0.73 H new ATOM 0 HD11 LEU A 108 3.759 -2.740 4.741 1.00 1.37 H new ATOM 0 HD12 LEU A 108 3.402 -3.480 6.320 1.00 1.37 H new ATOM 0 HD13 LEU A 108 2.489 -2.051 5.780 1.00 1.37 H new ATOM 0 HD21 LEU A 108 4.715 -0.574 4.572 1.00 0.80 H new ATOM 0 HD22 LEU A 108 3.489 0.108 5.668 1.00 0.80 H new ATOM 0 HD23 LEU A 108 5.220 0.346 6.010 1.00 0.80 H new ATOM 1590 N SER A 109 3.015 -1.308 10.790 1.00 1.05 N ATOM 1591 CA SER A 109 2.889 -0.896 12.192 1.00 0.98 C ATOM 1592 C SER A 109 2.628 -2.104 13.101 1.00 0.90 C ATOM 1593 O SER A 109 3.175 -2.200 14.201 1.00 0.90 O ATOM 1594 CB SER A 109 1.760 0.132 12.294 1.00 0.99 C ATOM 1595 OG SER A 109 1.463 0.466 13.636 1.00 2.38 O ATOM 0 H SER A 109 2.229 -1.014 10.210 1.00 1.05 H new ATOM 0 HA SER A 109 3.823 -0.446 12.529 1.00 0.98 H new ATOM 0 HB2 SER A 109 2.042 1.034 11.750 1.00 0.99 H new ATOM 0 HB3 SER A 109 0.866 -0.264 11.813 1.00 0.99 H new ATOM 0 HG SER A 109 0.495 0.413 13.780 1.00 2.38 H new ATOM 1601 N GLN A 110 1.867 -3.086 12.608 1.00 0.94 N ATOM 1602 CA GLN A 110 1.524 -4.298 13.362 1.00 1.02 C ATOM 1603 C GLN A 110 2.765 -5.156 13.687 1.00 1.02 C ATOM 1604 O GLN A 110 2.854 -5.726 14.779 1.00 1.18 O ATOM 1605 CB GLN A 110 0.483 -5.083 12.544 1.00 1.17 C ATOM 1606 CG GLN A 110 -0.212 -6.216 13.300 1.00 1.41 C ATOM 1607 CD GLN A 110 -1.282 -5.664 14.218 1.00 1.70 C ATOM 1608 OE1 GLN A 110 -1.077 -5.487 15.416 1.00 1.85 O ATOM 1609 NE2 GLN A 110 -2.429 -5.321 13.689 1.00 1.92 N ATOM 0 H GLN A 110 1.469 -3.063 11.669 1.00 0.94 H new ATOM 0 HA GLN A 110 1.105 -4.019 14.329 1.00 1.02 H new ATOM 0 HB2 GLN A 110 -0.275 -4.387 12.186 1.00 1.17 H new ATOM 0 HB3 GLN A 110 0.974 -5.500 11.665 1.00 1.17 H new ATOM 0 HG2 GLN A 110 -0.658 -6.914 12.591 1.00 1.41 H new ATOM 0 HG3 GLN A 110 0.521 -6.776 13.881 1.00 1.41 H new ATOM 0 HE21 GLN A 110 -2.596 -5.469 12.694 1.00 1.92 H new ATOM 0 HE22 GLN A 110 -3.156 -4.905 14.272 1.00 1.92 H new ATOM 1618 N ILE A 111 3.743 -5.210 12.775 1.00 1.01 N ATOM 1619 CA ILE A 111 5.054 -5.850 12.966 1.00 1.13 C ATOM 1620 C ILE A 111 5.857 -5.128 14.055 1.00 1.23 C ATOM 1621 O ILE A 111 6.196 -5.745 15.064 1.00 1.43 O ATOM 1622 CB ILE A 111 5.830 -5.915 11.624 1.00 1.20 C ATOM 1623 CG1 ILE A 111 5.148 -6.891 10.637 1.00 1.26 C ATOM 1624 CG2 ILE A 111 7.296 -6.352 11.827 1.00 1.37 C ATOM 1625 CD1 ILE A 111 5.544 -6.633 9.177 1.00 1.41 C ATOM 0 H ILE A 111 3.641 -4.794 11.849 1.00 1.01 H new ATOM 0 HA ILE A 111 4.897 -6.874 13.304 1.00 1.13 H new ATOM 0 HB ILE A 111 5.820 -4.907 11.210 1.00 1.20 H new ATOM 0 HG12 ILE A 111 5.411 -7.914 10.905 1.00 1.26 H new ATOM 0 HG13 ILE A 111 4.066 -6.804 10.736 1.00 1.26 H new ATOM 0 HG21 ILE A 111 7.803 -6.384 10.863 1.00 1.37 H new ATOM 0 HG22 ILE A 111 7.801 -5.639 12.479 1.00 1.37 H new ATOM 0 HG23 ILE A 111 7.321 -7.342 12.283 1.00 1.37 H new ATOM 0 HD11 ILE A 111 5.035 -7.348 8.530 1.00 1.41 H new ATOM 0 HD12 ILE A 111 5.256 -5.620 8.896 1.00 1.41 H new ATOM 0 HD13 ILE A 111 6.622 -6.748 9.067 1.00 1.41 H new ATOM 1637 N VAL A 112 6.140 -3.826 13.901 1.00 1.14 N ATOM 1638 CA VAL A 112 7.060 -3.108 14.818 1.00 1.21 C ATOM 1639 C VAL A 112 6.535 -3.002 16.250 1.00 1.34 C ATOM 1640 O VAL A 112 7.328 -2.838 17.177 1.00 1.48 O ATOM 1641 CB VAL A 112 7.465 -1.714 14.305 1.00 1.18 C ATOM 1642 CG1 VAL A 112 8.111 -1.808 12.922 1.00 1.12 C ATOM 1643 CG2 VAL A 112 6.299 -0.727 14.224 1.00 1.22 C ATOM 0 H VAL A 112 5.752 -3.245 13.158 1.00 1.14 H new ATOM 0 HA VAL A 112 7.952 -3.734 14.836 1.00 1.21 H new ATOM 0 HB VAL A 112 8.175 -1.335 15.040 1.00 1.18 H new ATOM 0 HG11 VAL A 112 8.388 -0.810 12.581 1.00 1.12 H new ATOM 0 HG12 VAL A 112 9.002 -2.433 12.978 1.00 1.12 H new ATOM 0 HG13 VAL A 112 7.403 -2.248 12.219 1.00 1.12 H new ATOM 0 HG21 VAL A 112 6.660 0.233 13.855 1.00 1.22 H new ATOM 0 HG22 VAL A 112 5.540 -1.115 13.544 1.00 1.22 H new ATOM 0 HG23 VAL A 112 5.865 -0.595 15.215 1.00 1.22 H new