USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 582 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 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 MET CE :methyl -144:sc= -1.28 (180deg=-2.93!) USER MOD Set 1.3: A 75 LYS NZ :NH3+ 174:sc= 0.00957 (180deg=0.0133) USER MOD Single : A 1 ALA N :NH3+ -167:sc= 0 (180deg=-0.125) USER MOD Single : A 3 GLN : amide:sc= -0.177 K(o=-0.18,f=-2.5!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc=-0.00728 (180deg=-0.189) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0.00303 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 37:sc= 0.329 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.317 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -3.76! K(o=-3.8!,f=-0.11) USER MOD Single : A 42 ASN : amide:sc= -2.85 K(o=-2.9,f=-2.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 53 ASN : amide:sc= -0.0417 K(o=-0.042,f=-1.8!) USER MOD Single : A 62 THR OG1 : rot -22:sc= -0.222! USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot -96:sc= 0.0436 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.341 7.445 -0.561 1.00 5.32 N ATOM 2 CA ALA A 1 -19.022 6.978 -0.951 1.00 4.87 C ATOM 3 C ALA A 1 -18.879 5.500 -0.582 1.00 4.13 C ATOM 4 O ALA A 1 -18.413 4.697 -1.389 1.00 5.28 O ATOM 5 CB ALA A 1 -17.954 7.850 -0.288 1.00 5.19 C ATOM 0 H1 ALA A 1 -20.526 8.370 -1.000 1.00 5.32 H new ATOM 0 H2 ALA A 1 -21.059 6.762 -0.877 1.00 5.32 H new ATOM 0 H3 ALA A 1 -20.384 7.538 0.474 1.00 5.32 H new ATOM 0 HA ALA A 1 -18.889 7.063 -2.029 1.00 4.87 H new ATOM 0 HB1 ALA A 1 -16.964 7.499 -0.581 1.00 5.19 H new ATOM 0 HB2 ALA A 1 -18.081 8.885 -0.606 1.00 5.19 H new ATOM 0 HB3 ALA A 1 -18.055 7.788 0.796 1.00 5.19 H new ATOM 11 N ASP A 2 -19.289 5.185 0.638 1.00 3.30 N ATOM 12 CA ASP A 2 -19.212 3.818 1.124 1.00 3.78 C ATOM 13 C ASP A 2 -19.325 3.817 2.650 1.00 2.59 C ATOM 14 O ASP A 2 -19.645 2.793 3.251 1.00 3.55 O ATOM 15 CB ASP A 2 -17.876 3.174 0.749 1.00 5.46 C ATOM 16 CG ASP A 2 -17.987 1.869 -0.042 1.00 7.29 C ATOM 17 OD1 ASP A 2 -19.114 1.574 -0.496 1.00 7.66 O ATOM 18 OD2 ASP A 2 -16.943 1.195 -0.174 1.00 8.62 O ATOM 0 H ASP A 2 -19.676 5.853 1.304 1.00 3.30 H new ATOM 0 HA ASP A 2 -20.025 3.252 0.669 1.00 3.78 H new ATOM 0 HB2 ASP A 2 -17.297 3.888 0.163 1.00 5.46 H new ATOM 0 HB3 ASP A 2 -17.314 2.981 1.663 1.00 5.46 H new ATOM 23 N GLN A 3 -19.057 4.976 3.232 1.00 1.46 N ATOM 24 CA GLN A 3 -19.125 5.122 4.676 1.00 2.12 C ATOM 25 C GLN A 3 -17.867 4.543 5.328 1.00 1.67 C ATOM 26 O GLN A 3 -17.952 3.832 6.328 1.00 2.52 O ATOM 27 CB GLN A 3 -20.386 4.460 5.236 1.00 3.50 C ATOM 28 CG GLN A 3 -21.642 5.020 4.567 1.00 4.34 C ATOM 29 CD GLN A 3 -22.788 5.149 5.572 1.00 6.22 C ATOM 30 OE1 GLN A 3 -22.649 4.865 6.751 1.00 7.03 O ATOM 31 NE2 GLN A 3 -23.925 5.591 5.043 1.00 7.28 N ATOM 0 H GLN A 3 -18.792 5.823 2.730 1.00 1.46 H new ATOM 0 HA GLN A 3 -19.177 6.185 4.912 1.00 2.12 H new ATOM 0 HB2 GLN A 3 -20.336 3.383 5.079 1.00 3.50 H new ATOM 0 HB3 GLN A 3 -20.439 4.623 6.312 1.00 3.50 H new ATOM 0 HG2 GLN A 3 -21.423 5.996 4.133 1.00 4.34 H new ATOM 0 HG3 GLN A 3 -21.944 4.367 3.748 1.00 4.34 H new ATOM 0 HE21 GLN A 3 -23.973 5.810 4.048 1.00 7.28 H new ATOM 0 HE22 GLN A 3 -24.749 5.711 5.632 1.00 7.28 H new ATOM 40 N LEU A 4 -16.728 4.870 4.734 1.00 0.98 N ATOM 41 CA LEU A 4 -15.455 4.391 5.244 1.00 0.59 C ATOM 42 C LEU A 4 -14.335 4.826 4.296 1.00 0.56 C ATOM 43 O LEU A 4 -13.227 5.128 4.735 1.00 0.91 O ATOM 44 CB LEU A 4 -15.506 2.881 5.484 1.00 0.94 C ATOM 45 CG LEU A 4 -14.159 2.156 5.484 1.00 0.81 C ATOM 46 CD1 LEU A 4 -13.528 2.170 4.091 1.00 1.79 C ATOM 47 CD2 LEU A 4 -13.223 2.739 6.544 1.00 2.09 C ATOM 0 H LEU A 4 -16.661 5.460 3.905 1.00 0.98 H new ATOM 0 HA LEU A 4 -15.243 4.837 6.216 1.00 0.59 H new ATOM 0 HB2 LEU A 4 -15.993 2.702 6.443 1.00 0.94 H new ATOM 0 HB3 LEU A 4 -16.138 2.432 4.717 1.00 0.94 H new ATOM 0 HG LEU A 4 -14.333 1.113 5.747 1.00 0.81 H new ATOM 0 HD11 LEU A 4 -12.572 1.648 4.120 1.00 1.79 H new ATOM 0 HD12 LEU A 4 -14.193 1.671 3.385 1.00 1.79 H new ATOM 0 HD13 LEU A 4 -13.369 3.201 3.774 1.00 1.79 H new ATOM 0 HD21 LEU A 4 -12.273 2.206 6.523 1.00 2.09 H new ATOM 0 HD22 LEU A 4 -13.051 3.795 6.336 1.00 2.09 H new ATOM 0 HD23 LEU A 4 -13.677 2.632 7.529 1.00 2.09 H new ATOM 59 N THR A 5 -14.664 4.842 3.012 1.00 0.58 N ATOM 60 CA THR A 5 -13.700 5.235 1.998 1.00 0.59 C ATOM 61 C THR A 5 -13.422 6.737 2.079 1.00 0.45 C ATOM 62 O THR A 5 -12.286 7.172 1.899 1.00 0.44 O ATOM 63 CB THR A 5 -14.238 4.788 0.637 1.00 0.79 C ATOM 64 OG1 THR A 5 -13.283 5.290 -0.295 1.00 1.88 O ATOM 65 CG2 THR A 5 -15.538 5.501 0.259 1.00 2.18 C ATOM 0 H THR A 5 -15.584 4.589 2.651 1.00 0.58 H new ATOM 0 HA THR A 5 -12.737 4.750 2.158 1.00 0.59 H new ATOM 0 HB THR A 5 -14.405 3.711 0.648 1.00 0.79 H new ATOM 0 HG1 THR A 5 -13.553 5.044 -1.204 1.00 1.88 H new ATOM 0 HG21 THR A 5 -15.877 5.148 -0.715 1.00 2.18 H new ATOM 0 HG22 THR A 5 -16.301 5.288 1.008 1.00 2.18 H new ATOM 0 HG23 THR A 5 -15.364 6.576 0.214 1.00 2.18 H new ATOM 73 N GLU A 6 -14.479 7.488 2.350 1.00 0.51 N ATOM 74 CA GLU A 6 -14.363 8.932 2.457 1.00 0.56 C ATOM 75 C GLU A 6 -13.347 9.305 3.539 1.00 0.47 C ATOM 76 O GLU A 6 -12.431 10.088 3.292 1.00 0.48 O ATOM 77 CB GLU A 6 -15.724 9.572 2.739 1.00 0.76 C ATOM 78 CG GLU A 6 -15.710 11.064 2.398 1.00 1.35 C ATOM 79 CD GLU A 6 -17.126 11.580 2.136 1.00 1.78 C ATOM 80 OE1 GLU A 6 -17.713 11.138 1.125 1.00 2.88 O ATOM 81 OE2 GLU A 6 -17.590 12.404 2.954 1.00 2.21 O ATOM 0 H GLU A 6 -15.420 7.123 2.499 1.00 0.51 H new ATOM 0 HA GLU A 6 -14.007 9.320 1.503 1.00 0.56 H new ATOM 0 HB2 GLU A 6 -16.494 9.069 2.155 1.00 0.76 H new ATOM 0 HB3 GLU A 6 -15.982 9.438 3.789 1.00 0.76 H new ATOM 0 HG2 GLU A 6 -15.261 11.624 3.218 1.00 1.35 H new ATOM 0 HG3 GLU A 6 -15.089 11.234 1.519 1.00 1.35 H new ATOM 88 N GLU A 7 -13.543 8.726 4.714 1.00 0.48 N ATOM 89 CA GLU A 7 -12.655 8.987 5.834 1.00 0.52 C ATOM 90 C GLU A 7 -11.264 8.416 5.553 1.00 0.46 C ATOM 91 O GLU A 7 -10.258 8.985 5.976 1.00 0.50 O ATOM 92 CB GLU A 7 -13.229 8.417 7.133 1.00 0.64 C ATOM 93 CG GLU A 7 -13.487 6.915 7.006 1.00 0.82 C ATOM 94 CD GLU A 7 -13.465 6.237 8.377 1.00 1.21 C ATOM 95 OE1 GLU A 7 -14.048 6.828 9.312 1.00 1.99 O ATOM 96 OE2 GLU A 7 -12.866 5.143 8.460 1.00 2.10 O ATOM 0 H GLU A 7 -14.304 8.077 4.915 1.00 0.48 H new ATOM 0 HA GLU A 7 -12.565 10.066 5.957 1.00 0.52 H new ATOM 0 HB2 GLU A 7 -12.536 8.602 7.953 1.00 0.64 H new ATOM 0 HB3 GLU A 7 -14.159 8.930 7.380 1.00 0.64 H new ATOM 0 HG2 GLU A 7 -14.453 6.747 6.529 1.00 0.82 H new ATOM 0 HG3 GLU A 7 -12.731 6.466 6.362 1.00 0.82 H new ATOM 103 N GLN A 8 -11.250 7.299 4.841 1.00 0.46 N ATOM 104 CA GLN A 8 -9.999 6.645 4.499 1.00 0.45 C ATOM 105 C GLN A 8 -9.228 7.477 3.472 1.00 0.44 C ATOM 106 O GLN A 8 -8.097 7.889 3.724 1.00 0.55 O ATOM 107 CB GLN A 8 -10.245 5.226 3.981 1.00 0.45 C ATOM 108 CG GLN A 8 -10.473 4.252 5.138 1.00 1.64 C ATOM 109 CD GLN A 8 -9.157 3.928 5.848 1.00 2.02 C ATOM 110 OE1 GLN A 8 -8.599 4.733 6.575 1.00 2.88 O ATOM 111 NE2 GLN A 8 -8.694 2.706 5.599 1.00 2.54 N ATOM 0 H GLN A 8 -12.086 6.830 4.491 1.00 0.46 H new ATOM 0 HA GLN A 8 -9.394 6.567 5.403 1.00 0.45 H new ATOM 0 HB2 GLN A 8 -11.112 5.221 3.321 1.00 0.45 H new ATOM 0 HB3 GLN A 8 -9.391 4.898 3.388 1.00 0.45 H new ATOM 0 HG2 GLN A 8 -11.177 4.684 5.849 1.00 1.64 H new ATOM 0 HG3 GLN A 8 -10.923 3.333 4.762 1.00 1.64 H new ATOM 0 HE21 GLN A 8 -9.211 2.081 4.980 1.00 2.54 H new ATOM 0 HE22 GLN A 8 -7.822 2.394 6.027 1.00 2.54 H new ATOM 120 N ILE A 9 -9.872 7.701 2.336 1.00 0.39 N ATOM 121 CA ILE A 9 -9.262 8.477 1.270 1.00 0.43 C ATOM 122 C ILE A 9 -8.810 9.830 1.824 1.00 0.54 C ATOM 123 O ILE A 9 -7.967 10.499 1.228 1.00 0.81 O ATOM 124 CB ILE A 9 -10.212 8.589 0.076 1.00 0.59 C ATOM 125 CG1 ILE A 9 -11.363 9.551 0.379 1.00 1.74 C ATOM 126 CG2 ILE A 9 -10.717 7.210 -0.353 1.00 2.50 C ATOM 127 CD1 ILE A 9 -11.302 10.780 -0.530 1.00 3.03 C ATOM 0 H ILE A 9 -10.811 7.358 2.131 1.00 0.39 H new ATOM 0 HA ILE A 9 -8.372 7.972 0.894 1.00 0.43 H new ATOM 0 HB ILE A 9 -9.657 9.006 -0.764 1.00 0.59 H new ATOM 0 HG12 ILE A 9 -12.316 9.039 0.242 1.00 1.74 H new ATOM 0 HG13 ILE A 9 -11.316 9.863 1.422 1.00 1.74 H new ATOM 0 HG21 ILE A 9 -11.390 7.317 -1.203 1.00 2.50 H new ATOM 0 HG22 ILE A 9 -9.871 6.585 -0.637 1.00 2.50 H new ATOM 0 HG23 ILE A 9 -11.250 6.744 0.475 1.00 2.50 H new ATOM 0 HD11 ILE A 9 -12.131 11.448 -0.295 1.00 3.03 H new ATOM 0 HD12 ILE A 9 -10.359 11.303 -0.372 1.00 3.03 H new ATOM 0 HD13 ILE A 9 -11.373 10.466 -1.571 1.00 3.03 H new ATOM 139 N ALA A 10 -9.391 10.192 2.959 1.00 0.46 N ATOM 140 CA ALA A 10 -9.058 11.453 3.600 1.00 0.58 C ATOM 141 C ALA A 10 -7.616 11.396 4.109 1.00 0.61 C ATOM 142 O ALA A 10 -6.774 12.189 3.690 1.00 0.74 O ATOM 143 CB ALA A 10 -10.061 11.736 4.720 1.00 0.64 C ATOM 0 H ALA A 10 -10.090 9.635 3.451 1.00 0.46 H new ATOM 0 HA ALA A 10 -9.124 12.275 2.888 1.00 0.58 H new ATOM 0 HB1 ALA A 10 -9.812 12.682 5.201 1.00 0.64 H new ATOM 0 HB2 ALA A 10 -11.066 11.795 4.302 1.00 0.64 H new ATOM 0 HB3 ALA A 10 -10.021 10.933 5.456 1.00 0.64 H new ATOM 149 N GLU A 11 -7.376 10.452 5.007 1.00 0.60 N ATOM 150 CA GLU A 11 -6.051 10.282 5.578 1.00 0.75 C ATOM 151 C GLU A 11 -5.089 9.722 4.528 1.00 0.63 C ATOM 152 O GLU A 11 -3.960 10.194 4.402 1.00 0.70 O ATOM 153 CB GLU A 11 -6.098 9.381 6.814 1.00 0.92 C ATOM 154 CG GLU A 11 -6.336 10.203 8.082 1.00 1.32 C ATOM 155 CD GLU A 11 -6.474 9.295 9.306 1.00 1.65 C ATOM 156 OE1 GLU A 11 -5.525 8.517 9.545 1.00 2.26 O ATOM 157 OE2 GLU A 11 -7.525 9.399 9.975 1.00 2.45 O ATOM 0 H GLU A 11 -8.077 9.797 5.353 1.00 0.60 H new ATOM 0 HA GLU A 11 -5.685 11.259 5.895 1.00 0.75 H new ATOM 0 HB2 GLU A 11 -6.892 8.643 6.700 1.00 0.92 H new ATOM 0 HB3 GLU A 11 -5.161 8.831 6.903 1.00 0.92 H new ATOM 0 HG2 GLU A 11 -5.508 10.897 8.231 1.00 1.32 H new ATOM 0 HG3 GLU A 11 -7.238 10.803 7.966 1.00 1.32 H new ATOM 164 N PHE A 12 -5.571 8.724 3.802 1.00 0.50 N ATOM 165 CA PHE A 12 -4.767 8.096 2.767 1.00 0.45 C ATOM 166 C PHE A 12 -4.216 9.138 1.792 1.00 0.40 C ATOM 167 O PHE A 12 -3.215 8.896 1.120 1.00 0.55 O ATOM 168 CB PHE A 12 -5.687 7.138 2.007 1.00 0.47 C ATOM 169 CG PHE A 12 -5.859 5.775 2.679 1.00 0.97 C ATOM 170 CD1 PHE A 12 -6.016 5.696 4.028 1.00 1.47 C ATOM 171 CD2 PHE A 12 -5.855 4.641 1.928 1.00 1.51 C ATOM 172 CE1 PHE A 12 -6.175 4.431 4.651 1.00 2.00 C ATOM 173 CE2 PHE A 12 -6.014 3.375 2.552 1.00 2.10 C ATOM 174 CZ PHE A 12 -6.171 3.297 3.900 1.00 2.20 C ATOM 0 H PHE A 12 -6.508 8.335 3.910 1.00 0.50 H new ATOM 0 HA PHE A 12 -3.921 7.577 3.217 1.00 0.45 H new ATOM 0 HB2 PHE A 12 -6.667 7.603 1.896 1.00 0.47 H new ATOM 0 HB3 PHE A 12 -5.289 6.989 1.003 1.00 0.47 H new ATOM 0 HD1 PHE A 12 -6.020 6.596 4.625 1.00 1.47 H new ATOM 0 HD2 PHE A 12 -5.731 4.703 0.857 1.00 1.51 H new ATOM 0 HE1 PHE A 12 -6.299 4.369 5.722 1.00 2.00 H new ATOM 0 HE2 PHE A 12 -6.010 2.475 1.956 1.00 2.10 H new ATOM 0 HZ PHE A 12 -6.293 2.335 4.375 1.00 2.20 H new ATOM 184 N LYS A 13 -4.894 10.275 1.746 1.00 0.39 N ATOM 185 CA LYS A 13 -4.485 11.355 0.864 1.00 0.42 C ATOM 186 C LYS A 13 -3.096 11.846 1.276 1.00 0.51 C ATOM 187 O LYS A 13 -2.152 11.779 0.490 1.00 0.53 O ATOM 188 CB LYS A 13 -5.545 12.458 0.840 1.00 0.45 C ATOM 189 CG LYS A 13 -5.791 12.951 -0.587 1.00 0.87 C ATOM 190 CD LYS A 13 -7.195 12.572 -1.064 1.00 1.43 C ATOM 191 CE LYS A 13 -7.580 13.362 -2.317 1.00 1.42 C ATOM 192 NZ LYS A 13 -7.866 14.773 -1.972 1.00 1.88 N ATOM 0 H LYS A 13 -5.724 10.472 2.305 1.00 0.39 H new ATOM 0 HA LYS A 13 -4.406 10.999 -0.163 1.00 0.42 H new ATOM 0 HB2 LYS A 13 -6.476 12.082 1.264 1.00 0.45 H new ATOM 0 HB3 LYS A 13 -5.223 13.290 1.466 1.00 0.45 H new ATOM 0 HG2 LYS A 13 -5.669 14.033 -0.628 1.00 0.87 H new ATOM 0 HG3 LYS A 13 -5.047 12.521 -1.257 1.00 0.87 H new ATOM 0 HD2 LYS A 13 -7.235 11.504 -1.277 1.00 1.43 H new ATOM 0 HD3 LYS A 13 -7.917 12.766 -0.271 1.00 1.43 H new ATOM 0 HE2 LYS A 13 -6.771 13.316 -3.046 1.00 1.42 H new ATOM 0 HE3 LYS A 13 -8.455 12.911 -2.784 1.00 1.42 H new ATOM 0 HZ1 LYS A 13 -8.378 15.225 -2.756 1.00 1.88 H new ATOM 0 HZ2 LYS A 13 -8.449 14.809 -1.112 1.00 1.88 H new ATOM 0 HZ3 LYS A 13 -6.972 15.278 -1.806 1.00 1.88 H new ATOM 206 N GLU A 14 -3.015 12.328 2.507 1.00 0.62 N ATOM 207 CA GLU A 14 -1.757 12.830 3.033 1.00 0.75 C ATOM 208 C GLU A 14 -0.789 11.673 3.288 1.00 0.71 C ATOM 209 O GLU A 14 0.416 11.812 3.087 1.00 0.75 O ATOM 210 CB GLU A 14 -1.983 13.647 4.307 1.00 0.96 C ATOM 211 CG GLU A 14 -1.066 14.872 4.342 1.00 1.54 C ATOM 212 CD GLU A 14 -1.108 15.549 5.713 1.00 2.08 C ATOM 213 OE1 GLU A 14 -0.426 15.031 6.623 1.00 2.47 O ATOM 214 OE2 GLU A 14 -1.821 16.571 5.820 1.00 3.18 O ATOM 0 H GLU A 14 -3.800 12.382 3.156 1.00 0.62 H new ATOM 0 HA GLU A 14 -1.313 13.492 2.290 1.00 0.75 H new ATOM 0 HB2 GLU A 14 -3.024 13.966 4.359 1.00 0.96 H new ATOM 0 HB3 GLU A 14 -1.796 13.023 5.181 1.00 0.96 H new ATOM 0 HG2 GLU A 14 -0.044 14.572 4.112 1.00 1.54 H new ATOM 0 HG3 GLU A 14 -1.371 15.581 3.573 1.00 1.54 H new ATOM 221 N ALA A 15 -1.353 10.557 3.728 1.00 0.70 N ATOM 222 CA ALA A 15 -0.555 9.377 4.012 1.00 0.75 C ATOM 223 C ALA A 15 0.178 8.944 2.741 1.00 0.62 C ATOM 224 O ALA A 15 1.345 8.558 2.795 1.00 0.57 O ATOM 225 CB ALA A 15 -1.456 8.274 4.570 1.00 0.85 C ATOM 0 H ALA A 15 -2.353 10.446 3.895 1.00 0.70 H new ATOM 0 HA ALA A 15 0.199 9.596 4.768 1.00 0.75 H new ATOM 0 HB1 ALA A 15 -0.857 7.388 4.783 1.00 0.85 H new ATOM 0 HB2 ALA A 15 -1.930 8.621 5.488 1.00 0.85 H new ATOM 0 HB3 ALA A 15 -2.223 8.025 3.837 1.00 0.85 H new ATOM 231 N PHE A 16 -0.536 9.023 1.628 1.00 0.64 N ATOM 232 CA PHE A 16 0.032 8.644 0.346 1.00 0.60 C ATOM 233 C PHE A 16 1.486 9.108 0.231 1.00 0.51 C ATOM 234 O PHE A 16 2.369 8.319 -0.099 1.00 0.59 O ATOM 235 CB PHE A 16 -0.799 9.337 -0.735 1.00 0.66 C ATOM 236 CG PHE A 16 -0.393 8.971 -2.164 1.00 0.83 C ATOM 237 CD1 PHE A 16 -0.444 7.675 -2.574 1.00 0.74 C ATOM 238 CD2 PHE A 16 0.019 9.941 -3.024 1.00 1.45 C ATOM 239 CE1 PHE A 16 -0.068 7.335 -3.900 1.00 1.08 C ATOM 240 CE2 PHE A 16 0.395 9.600 -4.350 1.00 1.77 C ATOM 241 CZ PHE A 16 0.344 8.304 -4.760 1.00 1.51 C ATOM 0 H PHE A 16 -1.503 9.344 1.588 1.00 0.64 H new ATOM 0 HA PHE A 16 0.015 7.559 0.239 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -1.849 9.082 -0.590 1.00 0.66 H new ATOM 0 HB3 PHE A 16 -0.712 10.416 -0.609 1.00 0.66 H new ATOM 0 HD1 PHE A 16 -0.770 6.905 -1.891 1.00 0.74 H new ATOM 0 HD2 PHE A 16 0.060 10.970 -2.698 1.00 1.45 H new ATOM 0 HE1 PHE A 16 -0.109 6.306 -4.226 1.00 1.08 H new ATOM 0 HE2 PHE A 16 0.722 10.370 -5.033 1.00 1.77 H new ATOM 0 HZ PHE A 16 0.631 8.045 -5.768 1.00 1.51 H new ATOM 251 N SER A 17 1.688 10.388 0.511 1.00 0.52 N ATOM 252 CA SER A 17 3.019 10.967 0.443 1.00 0.52 C ATOM 253 C SER A 17 4.041 10.002 1.046 1.00 0.44 C ATOM 254 O SER A 17 5.112 9.793 0.479 1.00 0.42 O ATOM 255 CB SER A 17 3.070 12.314 1.166 1.00 0.64 C ATOM 256 OG SER A 17 3.942 13.236 0.517 1.00 1.52 O ATOM 0 H SER A 17 0.953 11.039 0.785 1.00 0.52 H new ATOM 0 HA SER A 17 3.265 11.138 -0.605 1.00 0.52 H new ATOM 0 HB2 SER A 17 2.067 12.737 1.215 1.00 0.64 H new ATOM 0 HB3 SER A 17 3.403 12.162 2.193 1.00 0.64 H new ATOM 0 HG SER A 17 3.946 14.084 1.008 1.00 1.52 H new ATOM 262 N LEU A 18 3.674 9.438 2.188 1.00 0.46 N ATOM 263 CA LEU A 18 4.546 8.500 2.874 1.00 0.44 C ATOM 264 C LEU A 18 4.614 7.197 2.075 1.00 0.44 C ATOM 265 O LEU A 18 5.694 6.769 1.670 1.00 0.48 O ATOM 266 CB LEU A 18 4.094 8.310 4.323 1.00 0.49 C ATOM 267 CG LEU A 18 4.205 9.540 5.227 1.00 0.55 C ATOM 268 CD1 LEU A 18 3.431 9.333 6.531 1.00 0.63 C ATOM 269 CD2 LEU A 18 5.669 9.903 5.481 1.00 0.59 C ATOM 0 H LEU A 18 2.784 9.613 2.655 1.00 0.46 H new ATOM 0 HA LEU A 18 5.561 8.894 2.930 1.00 0.44 H new ATOM 0 HB2 LEU A 18 3.055 7.980 4.318 1.00 0.49 H new ATOM 0 HB3 LEU A 18 4.682 7.505 4.764 1.00 0.49 H new ATOM 0 HG LEU A 18 3.749 10.385 4.712 1.00 0.55 H new ATOM 0 HD11 LEU A 18 3.526 10.221 7.155 1.00 0.63 H new ATOM 0 HD12 LEU A 18 2.379 9.158 6.306 1.00 0.63 H new ATOM 0 HD13 LEU A 18 3.836 8.471 7.062 1.00 0.63 H new ATOM 0 HD21 LEU A 18 5.720 10.780 6.126 1.00 0.59 H new ATOM 0 HD22 LEU A 18 6.172 9.067 5.966 1.00 0.59 H new ATOM 0 HD23 LEU A 18 6.160 10.121 4.532 1.00 0.59 H new ATOM 281 N PHE A 19 3.447 6.602 1.873 1.00 0.46 N ATOM 282 CA PHE A 19 3.361 5.357 1.130 1.00 0.51 C ATOM 283 C PHE A 19 4.195 5.424 -0.152 1.00 0.47 C ATOM 284 O PHE A 19 4.844 4.448 -0.526 1.00 0.57 O ATOM 285 CB PHE A 19 1.890 5.159 0.757 1.00 0.58 C ATOM 286 CG PHE A 19 0.957 5.017 1.962 1.00 1.14 C ATOM 287 CD1 PHE A 19 1.428 4.504 3.130 1.00 1.53 C ATOM 288 CD2 PHE A 19 -0.343 5.405 1.864 1.00 2.34 C ATOM 289 CE1 PHE A 19 0.562 4.373 4.248 1.00 2.20 C ATOM 290 CE2 PHE A 19 -1.209 5.274 2.981 1.00 3.07 C ATOM 291 CZ PHE A 19 -0.738 4.761 4.150 1.00 2.75 C ATOM 0 H PHE A 19 2.554 6.960 2.211 1.00 0.46 H new ATOM 0 HA PHE A 19 3.741 4.535 1.737 1.00 0.51 H new ATOM 0 HB2 PHE A 19 1.562 6.005 0.154 1.00 0.58 H new ATOM 0 HB3 PHE A 19 1.800 4.269 0.134 1.00 0.58 H new ATOM 0 HD1 PHE A 19 2.460 4.196 3.207 1.00 1.53 H new ATOM 0 HD2 PHE A 19 -0.716 5.813 0.936 1.00 2.34 H new ATOM 0 HE1 PHE A 19 0.936 3.965 5.176 1.00 2.20 H new ATOM 0 HE2 PHE A 19 -2.241 5.581 2.903 1.00 3.07 H new ATOM 0 HZ PHE A 19 -1.397 4.662 5.000 1.00 2.75 H new ATOM 301 N ASP A 20 4.149 6.584 -0.789 1.00 0.42 N ATOM 302 CA ASP A 20 4.892 6.791 -2.020 1.00 0.43 C ATOM 303 C ASP A 20 6.264 7.382 -1.690 1.00 0.47 C ATOM 304 O ASP A 20 6.394 8.590 -1.496 1.00 0.79 O ATOM 305 CB ASP A 20 4.166 7.771 -2.944 1.00 0.59 C ATOM 306 CG ASP A 20 4.392 7.539 -4.439 1.00 0.62 C ATOM 307 OD1 ASP A 20 5.413 6.896 -4.766 1.00 0.66 O ATOM 308 OD2 ASP A 20 3.538 8.010 -5.222 1.00 0.89 O ATOM 0 H ASP A 20 3.609 7.391 -0.476 1.00 0.42 H new ATOM 0 HA ASP A 20 4.989 5.828 -2.520 1.00 0.43 H new ATOM 0 HB2 ASP A 20 3.097 7.714 -2.741 1.00 0.59 H new ATOM 0 HB3 ASP A 20 4.484 8.784 -2.697 1.00 0.59 H new ATOM 313 N LYS A 21 7.255 6.503 -1.637 1.00 0.59 N ATOM 314 CA LYS A 21 8.612 6.923 -1.333 1.00 0.74 C ATOM 315 C LYS A 21 9.178 7.703 -2.522 1.00 0.60 C ATOM 316 O LYS A 21 9.546 8.869 -2.385 1.00 0.83 O ATOM 317 CB LYS A 21 9.466 5.721 -0.925 1.00 1.02 C ATOM 318 CG LYS A 21 8.760 4.885 0.145 1.00 0.70 C ATOM 319 CD LYS A 21 8.639 5.663 1.457 1.00 0.82 C ATOM 320 CE LYS A 21 7.729 4.932 2.446 1.00 1.06 C ATOM 321 NZ LYS A 21 7.657 5.669 3.727 1.00 1.60 N ATOM 0 H LYS A 21 7.145 5.502 -1.800 1.00 0.59 H new ATOM 0 HA LYS A 21 8.619 7.596 -0.476 1.00 0.74 H new ATOM 0 HB2 LYS A 21 9.671 5.102 -1.799 1.00 1.02 H new ATOM 0 HB3 LYS A 21 10.428 6.066 -0.546 1.00 1.02 H new ATOM 0 HG2 LYS A 21 7.768 4.601 -0.206 1.00 0.70 H new ATOM 0 HG3 LYS A 21 9.314 3.962 0.315 1.00 0.70 H new ATOM 0 HD2 LYS A 21 9.627 5.797 1.897 1.00 0.82 H new ATOM 0 HD3 LYS A 21 8.241 6.658 1.258 1.00 0.82 H new ATOM 0 HE2 LYS A 21 6.730 4.829 2.022 1.00 1.06 H new ATOM 0 HE3 LYS A 21 8.107 3.924 2.620 1.00 1.06 H new ATOM 0 HZ1 LYS A 21 7.418 5.009 4.494 1.00 1.60 H new ATOM 0 HZ2 LYS A 21 8.577 6.111 3.925 1.00 1.60 H new ATOM 0 HZ3 LYS A 21 6.926 6.406 3.663 1.00 1.60 H new ATOM 335 N ASP A 22 9.229 7.029 -3.661 1.00 0.57 N ATOM 336 CA ASP A 22 9.744 7.645 -4.872 1.00 0.52 C ATOM 337 C ASP A 22 9.145 9.045 -5.022 1.00 0.45 C ATOM 338 O ASP A 22 9.876 10.032 -5.094 1.00 0.60 O ATOM 339 CB ASP A 22 9.359 6.832 -6.110 1.00 0.68 C ATOM 340 CG ASP A 22 10.403 5.808 -6.561 1.00 1.42 C ATOM 341 OD1 ASP A 22 11.604 6.120 -6.416 1.00 2.29 O ATOM 342 OD2 ASP A 22 9.975 4.736 -7.041 1.00 1.67 O ATOM 0 H ASP A 22 8.922 6.062 -3.771 1.00 0.57 H new ATOM 0 HA ASP A 22 10.830 7.689 -4.792 1.00 0.52 H new ATOM 0 HB2 ASP A 22 8.424 6.310 -5.907 1.00 0.68 H new ATOM 0 HB3 ASP A 22 9.168 7.520 -6.933 1.00 0.68 H new ATOM 347 N GLY A 23 7.822 9.086 -5.063 1.00 0.43 N ATOM 348 CA GLY A 23 7.116 10.349 -5.202 1.00 0.51 C ATOM 349 C GLY A 23 6.689 10.581 -6.653 1.00 0.59 C ATOM 350 O GLY A 23 6.678 11.716 -7.127 1.00 0.75 O ATOM 0 H GLY A 23 7.220 8.265 -5.002 1.00 0.43 H new ATOM 0 HA2 GLY A 23 6.238 10.352 -4.556 1.00 0.51 H new ATOM 0 HA3 GLY A 23 7.757 11.167 -4.873 1.00 0.51 H new ATOM 354 N ASP A 24 6.347 9.488 -7.318 1.00 0.58 N ATOM 355 CA ASP A 24 5.920 9.558 -8.705 1.00 0.75 C ATOM 356 C ASP A 24 4.427 9.232 -8.791 1.00 0.80 C ATOM 357 O ASP A 24 3.688 9.882 -9.529 1.00 1.51 O ATOM 358 CB ASP A 24 6.676 8.544 -9.566 1.00 0.83 C ATOM 359 CG ASP A 24 6.943 7.196 -8.893 1.00 0.89 C ATOM 360 OD1 ASP A 24 6.105 6.806 -8.051 1.00 0.74 O ATOM 361 OD2 ASP A 24 7.979 6.586 -9.236 1.00 1.54 O ATOM 0 H ASP A 24 6.357 8.548 -6.922 1.00 0.58 H new ATOM 0 HA ASP A 24 6.124 10.564 -9.071 1.00 0.75 H new ATOM 0 HB2 ASP A 24 6.108 8.371 -10.480 1.00 0.83 H new ATOM 0 HB3 ASP A 24 7.630 8.981 -9.862 1.00 0.83 H new ATOM 366 N GLY A 25 4.029 8.226 -8.027 1.00 0.41 N ATOM 367 CA GLY A 25 2.638 7.806 -8.008 1.00 0.47 C ATOM 368 C GLY A 25 2.525 6.280 -8.019 1.00 0.53 C ATOM 369 O GLY A 25 1.668 5.722 -8.702 1.00 1.04 O ATOM 0 H GLY A 25 4.645 7.689 -7.416 1.00 0.41 H new ATOM 0 HA2 GLY A 25 2.146 8.204 -7.120 1.00 0.47 H new ATOM 0 HA3 GLY A 25 2.118 8.219 -8.872 1.00 0.47 H new ATOM 373 N THR A 26 3.404 5.648 -7.254 1.00 0.47 N ATOM 374 CA THR A 26 3.414 4.198 -7.167 1.00 0.49 C ATOM 375 C THR A 26 4.200 3.743 -5.936 1.00 0.48 C ATOM 376 O THR A 26 5.266 4.282 -5.642 1.00 0.55 O ATOM 377 CB THR A 26 3.973 3.649 -8.482 1.00 0.54 C ATOM 378 OG1 THR A 26 4.945 4.614 -8.875 1.00 1.08 O ATOM 379 CG2 THR A 26 2.942 3.676 -9.612 1.00 0.93 C ATOM 0 H THR A 26 4.114 6.114 -6.689 1.00 0.47 H new ATOM 0 HA THR A 26 2.407 3.803 -7.035 1.00 0.49 H new ATOM 0 HB THR A 26 4.319 2.627 -8.331 1.00 0.54 H new ATOM 0 HG1 THR A 26 5.409 4.953 -8.081 1.00 1.08 H new ATOM 0 HG21 THR A 26 3.389 3.276 -10.522 1.00 0.93 H new ATOM 0 HG22 THR A 26 2.081 3.068 -9.334 1.00 0.93 H new ATOM 0 HG23 THR A 26 2.620 4.703 -9.787 1.00 0.93 H new ATOM 387 N ILE A 27 3.644 2.756 -5.249 1.00 0.49 N ATOM 388 CA ILE A 27 4.280 2.223 -4.057 1.00 0.50 C ATOM 389 C ILE A 27 5.058 0.957 -4.421 1.00 0.53 C ATOM 390 O ILE A 27 4.537 -0.151 -4.305 1.00 0.69 O ATOM 391 CB ILE A 27 3.247 2.012 -2.948 1.00 0.55 C ATOM 392 CG1 ILE A 27 2.687 3.349 -2.458 1.00 0.47 C ATOM 393 CG2 ILE A 27 3.833 1.182 -1.803 1.00 0.69 C ATOM 394 CD1 ILE A 27 1.795 3.993 -3.522 1.00 0.86 C ATOM 0 H ILE A 27 2.760 2.311 -5.496 1.00 0.49 H new ATOM 0 HA ILE A 27 5.001 2.937 -3.659 1.00 0.50 H new ATOM 0 HB ILE A 27 2.413 1.446 -3.362 1.00 0.55 H new ATOM 0 HG12 ILE A 27 2.114 3.194 -1.543 1.00 0.47 H new ATOM 0 HG13 ILE A 27 3.508 4.022 -2.210 1.00 0.47 H new ATOM 0 HG21 ILE A 27 3.078 1.047 -1.028 1.00 0.69 H new ATOM 0 HG22 ILE A 27 4.143 0.208 -2.181 1.00 0.69 H new ATOM 0 HG23 ILE A 27 4.696 1.699 -1.383 1.00 0.69 H new ATOM 0 HD11 ILE A 27 1.410 4.942 -3.148 1.00 0.86 H new ATOM 0 HD12 ILE A 27 2.377 4.169 -4.427 1.00 0.86 H new ATOM 0 HD13 ILE A 27 0.962 3.328 -3.750 1.00 0.86 H new ATOM 406 N THR A 28 6.292 1.164 -4.855 1.00 0.47 N ATOM 407 CA THR A 28 7.147 0.053 -5.238 1.00 0.55 C ATOM 408 C THR A 28 7.113 -1.039 -4.167 1.00 0.47 C ATOM 409 O THR A 28 7.074 -0.743 -2.974 1.00 0.52 O ATOM 410 CB THR A 28 8.550 0.604 -5.499 1.00 0.67 C ATOM 411 OG1 THR A 28 8.425 1.299 -6.737 1.00 0.83 O ATOM 412 CG2 THR A 28 9.568 -0.500 -5.792 1.00 0.79 C ATOM 0 H THR A 28 6.721 2.085 -4.950 1.00 0.47 H new ATOM 0 HA THR A 28 6.793 -0.421 -6.153 1.00 0.55 H new ATOM 0 HB THR A 28 8.880 1.181 -4.635 1.00 0.67 H new ATOM 0 HG1 THR A 28 9.290 1.690 -6.981 1.00 0.83 H new ATOM 0 HG21 THR A 28 10.547 -0.055 -5.970 1.00 0.79 H new ATOM 0 HG22 THR A 28 9.627 -1.176 -4.939 1.00 0.79 H new ATOM 0 HG23 THR A 28 9.257 -1.057 -6.676 1.00 0.79 H new ATOM 420 N THR A 29 7.129 -2.280 -4.632 1.00 0.42 N ATOM 421 CA THR A 29 7.100 -3.418 -3.730 1.00 0.44 C ATOM 422 C THR A 29 8.017 -3.171 -2.530 1.00 0.46 C ATOM 423 O THR A 29 7.599 -3.319 -1.383 1.00 0.44 O ATOM 424 CB THR A 29 7.472 -4.667 -4.531 1.00 0.52 C ATOM 425 OG1 THR A 29 8.801 -4.410 -4.978 1.00 0.53 O ATOM 426 CG2 THR A 29 6.663 -4.796 -5.823 1.00 0.55 C ATOM 0 H THR A 29 7.162 -2.522 -5.622 1.00 0.42 H new ATOM 0 HA THR A 29 6.104 -3.566 -3.313 1.00 0.44 H new ATOM 0 HB THR A 29 7.316 -5.553 -3.915 1.00 0.52 H new ATOM 0 HG1 THR A 29 9.122 -5.171 -5.505 1.00 0.53 H new ATOM 0 HG21 THR A 29 6.966 -5.699 -6.353 1.00 0.55 H new ATOM 0 HG22 THR A 29 5.601 -4.855 -5.583 1.00 0.55 H new ATOM 0 HG23 THR A 29 6.844 -3.926 -6.454 1.00 0.55 H new ATOM 434 N LYS A 30 9.251 -2.798 -2.837 1.00 0.60 N ATOM 435 CA LYS A 30 10.231 -2.528 -1.798 1.00 0.73 C ATOM 436 C LYS A 30 9.778 -1.320 -0.977 1.00 0.73 C ATOM 437 O LYS A 30 9.982 -1.277 0.236 1.00 0.76 O ATOM 438 CB LYS A 30 11.627 -2.371 -2.406 1.00 0.96 C ATOM 439 CG LYS A 30 11.814 -0.970 -2.992 1.00 1.00 C ATOM 440 CD LYS A 30 12.770 -0.999 -4.186 1.00 1.01 C ATOM 441 CE LYS A 30 14.188 -0.608 -3.763 1.00 2.02 C ATOM 442 NZ LYS A 30 14.340 0.864 -3.756 1.00 2.42 N ATOM 0 H LYS A 30 9.595 -2.676 -3.790 1.00 0.60 H new ATOM 0 HA LYS A 30 10.301 -3.372 -1.111 1.00 0.73 H new ATOM 0 HB2 LYS A 30 12.383 -2.554 -1.642 1.00 0.96 H new ATOM 0 HB3 LYS A 30 11.774 -3.118 -3.186 1.00 0.96 H new ATOM 0 HG2 LYS A 30 10.849 -0.570 -3.304 1.00 1.00 H new ATOM 0 HG3 LYS A 30 12.204 -0.300 -2.225 1.00 1.00 H new ATOM 0 HD2 LYS A 30 12.780 -1.997 -4.625 1.00 1.01 H new ATOM 0 HD3 LYS A 30 12.415 -0.315 -4.957 1.00 1.01 H new ATOM 0 HE2 LYS A 30 14.401 -1.006 -2.771 1.00 2.02 H new ATOM 0 HE3 LYS A 30 14.913 -1.051 -4.446 1.00 2.02 H new ATOM 0 HZ1 LYS A 30 15.308 1.112 -3.467 1.00 2.42 H new ATOM 0 HZ2 LYS A 30 14.158 1.236 -4.710 1.00 2.42 H new ATOM 0 HZ3 LYS A 30 13.661 1.280 -3.086 1.00 2.42 H new ATOM 456 N GLU A 31 9.172 -0.367 -1.670 1.00 0.74 N ATOM 457 CA GLU A 31 8.689 0.839 -1.019 1.00 0.79 C ATOM 458 C GLU A 31 7.565 0.499 -0.039 1.00 0.63 C ATOM 459 O GLU A 31 7.364 1.203 0.950 1.00 0.62 O ATOM 460 CB GLU A 31 8.224 1.869 -2.051 1.00 0.94 C ATOM 461 CG GLU A 31 9.414 2.621 -2.650 1.00 1.25 C ATOM 462 CD GLU A 31 8.945 3.689 -3.641 1.00 1.31 C ATOM 463 OE1 GLU A 31 7.990 4.412 -3.285 1.00 1.63 O ATOM 464 OE2 GLU A 31 9.554 3.758 -4.731 1.00 2.38 O ATOM 0 H GLU A 31 9.004 -0.406 -2.675 1.00 0.74 H new ATOM 0 HA GLU A 31 9.512 1.281 -0.458 1.00 0.79 H new ATOM 0 HB2 GLU A 31 7.669 1.369 -2.844 1.00 0.94 H new ATOM 0 HB3 GLU A 31 7.541 2.577 -1.581 1.00 0.94 H new ATOM 0 HG2 GLU A 31 9.992 3.088 -1.853 1.00 1.25 H new ATOM 0 HG3 GLU A 31 10.077 1.918 -3.154 1.00 1.25 H new ATOM 471 N LEU A 32 6.860 -0.580 -0.346 1.00 0.53 N ATOM 472 CA LEU A 32 5.762 -1.022 0.496 1.00 0.44 C ATOM 473 C LEU A 32 6.312 -1.468 1.852 1.00 0.33 C ATOM 474 O LEU A 32 5.707 -1.201 2.889 1.00 0.43 O ATOM 475 CB LEU A 32 4.939 -2.097 -0.218 1.00 0.45 C ATOM 476 CG LEU A 32 3.909 -2.833 0.641 1.00 0.53 C ATOM 477 CD1 LEU A 32 4.586 -3.863 1.547 1.00 2.23 C ATOM 478 CD2 LEU A 32 3.051 -1.846 1.436 1.00 2.02 C ATOM 0 H LEU A 32 7.028 -1.161 -1.167 1.00 0.53 H new ATOM 0 HA LEU A 32 5.073 -0.199 0.687 1.00 0.44 H new ATOM 0 HB2 LEU A 32 4.419 -1.632 -1.055 1.00 0.45 H new ATOM 0 HB3 LEU A 32 5.625 -2.833 -0.638 1.00 0.45 H new ATOM 0 HG LEU A 32 3.239 -3.379 -0.023 1.00 0.53 H new ATOM 0 HD11 LEU A 32 3.831 -4.372 2.147 1.00 2.23 H new ATOM 0 HD12 LEU A 32 5.116 -4.593 0.935 1.00 2.23 H new ATOM 0 HD13 LEU A 32 5.294 -3.359 2.205 1.00 2.23 H new ATOM 0 HD21 LEU A 32 2.327 -2.396 2.038 1.00 2.02 H new ATOM 0 HD22 LEU A 32 3.690 -1.252 2.090 1.00 2.02 H new ATOM 0 HD23 LEU A 32 2.523 -1.186 0.748 1.00 2.02 H new ATOM 490 N GLY A 33 7.452 -2.140 1.800 1.00 0.34 N ATOM 491 CA GLY A 33 8.091 -2.626 3.012 1.00 0.35 C ATOM 492 C GLY A 33 8.623 -1.465 3.854 1.00 0.38 C ATOM 493 O GLY A 33 8.778 -1.593 5.067 1.00 0.51 O ATOM 0 H GLY A 33 7.950 -2.360 0.938 1.00 0.34 H new ATOM 0 HA2 GLY A 33 7.377 -3.206 3.596 1.00 0.35 H new ATOM 0 HA3 GLY A 33 8.910 -3.297 2.752 1.00 0.35 H new ATOM 497 N THR A 34 8.889 -0.357 3.177 1.00 0.38 N ATOM 498 CA THR A 34 9.401 0.825 3.847 1.00 0.49 C ATOM 499 C THR A 34 8.377 1.353 4.854 1.00 0.49 C ATOM 500 O THR A 34 8.707 1.584 6.017 1.00 0.65 O ATOM 501 CB THR A 34 9.782 1.849 2.776 1.00 0.54 C ATOM 502 OG1 THR A 34 10.790 1.192 2.012 1.00 0.66 O ATOM 503 CG2 THR A 34 10.494 3.071 3.360 1.00 0.64 C ATOM 0 H THR A 34 8.759 -0.254 2.171 1.00 0.38 H new ATOM 0 HA THR A 34 10.294 0.594 4.428 1.00 0.49 H new ATOM 0 HB THR A 34 8.885 2.171 2.246 1.00 0.54 H new ATOM 0 HG1 THR A 34 11.094 1.785 1.293 1.00 0.66 H new ATOM 0 HG21 THR A 34 10.742 3.766 2.557 1.00 0.64 H new ATOM 0 HG22 THR A 34 9.839 3.565 4.078 1.00 0.64 H new ATOM 0 HG23 THR A 34 11.409 2.754 3.861 1.00 0.64 H new ATOM 511 N VAL A 35 7.156 1.527 4.372 1.00 0.42 N ATOM 512 CA VAL A 35 6.082 2.023 5.215 1.00 0.54 C ATOM 513 C VAL A 35 5.962 1.135 6.455 1.00 0.49 C ATOM 514 O VAL A 35 5.924 1.633 7.579 1.00 0.62 O ATOM 515 CB VAL A 35 4.782 2.107 4.412 1.00 0.67 C ATOM 516 CG1 VAL A 35 3.593 2.415 5.324 1.00 1.20 C ATOM 517 CG2 VAL A 35 4.896 3.142 3.291 1.00 1.31 C ATOM 0 H VAL A 35 6.886 1.333 3.408 1.00 0.42 H new ATOM 0 HA VAL A 35 6.302 3.034 5.558 1.00 0.54 H new ATOM 0 HB VAL A 35 4.608 1.134 3.953 1.00 0.67 H new ATOM 0 HG11 VAL A 35 2.682 2.469 4.728 1.00 1.20 H new ATOM 0 HG12 VAL A 35 3.493 1.626 6.070 1.00 1.20 H new ATOM 0 HG13 VAL A 35 3.756 3.369 5.825 1.00 1.20 H new ATOM 0 HG21 VAL A 35 3.959 3.182 2.736 1.00 1.31 H new ATOM 0 HG22 VAL A 35 5.105 4.122 3.720 1.00 1.31 H new ATOM 0 HG23 VAL A 35 5.705 2.861 2.617 1.00 1.31 H new ATOM 527 N MET A 36 5.905 -0.166 6.209 1.00 0.41 N ATOM 528 CA MET A 36 5.790 -1.128 7.292 1.00 0.42 C ATOM 529 C MET A 36 6.621 -0.695 8.501 1.00 0.55 C ATOM 530 O MET A 36 6.098 -0.572 9.607 1.00 0.66 O ATOM 531 CB MET A 36 6.266 -2.500 6.809 1.00 0.61 C ATOM 532 CG MET A 36 5.334 -3.055 5.730 1.00 0.80 C ATOM 533 SD MET A 36 3.809 -3.615 6.470 1.00 0.84 S ATOM 534 CE MET A 36 2.646 -2.567 5.614 1.00 1.60 C ATOM 0 H MET A 36 5.936 -0.576 5.276 1.00 0.41 H new ATOM 0 HA MET A 36 4.744 -1.182 7.595 1.00 0.42 H new ATOM 0 HB2 MET A 36 7.279 -2.419 6.414 1.00 0.61 H new ATOM 0 HB3 MET A 36 6.307 -3.192 7.650 1.00 0.61 H new ATOM 0 HG2 MET A 36 5.126 -2.286 4.987 1.00 0.80 H new ATOM 0 HG3 MET A 36 5.819 -3.880 5.208 1.00 0.80 H new ATOM 0 HE1 MET A 36 1.636 -2.787 5.959 1.00 1.60 H new ATOM 0 HE2 MET A 36 2.879 -1.522 5.818 1.00 1.60 H new ATOM 0 HE3 MET A 36 2.711 -2.751 4.542 1.00 1.60 H new ATOM 544 N ARG A 37 7.903 -0.476 8.249 1.00 0.74 N ATOM 545 CA ARG A 37 8.813 -0.059 9.303 1.00 1.05 C ATOM 546 C ARG A 37 8.231 1.134 10.065 1.00 1.23 C ATOM 547 O ARG A 37 8.234 1.151 11.295 1.00 1.46 O ATOM 548 CB ARG A 37 10.179 0.326 8.731 1.00 1.45 C ATOM 549 CG ARG A 37 10.835 -0.864 8.030 1.00 1.33 C ATOM 550 CD ARG A 37 12.342 -0.647 7.875 1.00 1.92 C ATOM 551 NE ARG A 37 12.688 -0.506 6.443 1.00 2.10 N ATOM 552 CZ ARG A 37 13.788 0.114 5.994 1.00 2.75 C ATOM 553 NH1 ARG A 37 14.655 0.653 6.862 1.00 3.56 N ATOM 554 NH2 ARG A 37 14.021 0.194 4.677 1.00 3.26 N ATOM 0 H ARG A 37 8.334 -0.579 7.330 1.00 0.74 H new ATOM 0 HA ARG A 37 8.942 -0.901 9.983 1.00 1.05 H new ATOM 0 HB2 ARG A 37 10.063 1.149 8.026 1.00 1.45 H new ATOM 0 HB3 ARG A 37 10.826 0.682 9.533 1.00 1.45 H new ATOM 0 HG2 ARG A 37 10.652 -1.774 8.602 1.00 1.33 H new ATOM 0 HG3 ARG A 37 10.382 -1.008 7.049 1.00 1.33 H new ATOM 0 HD2 ARG A 37 12.647 0.246 8.421 1.00 1.92 H new ATOM 0 HD3 ARG A 37 12.885 -1.487 8.308 1.00 1.92 H new ATOM 0 HE ARG A 37 12.050 -0.906 5.755 1.00 2.10 H new ATOM 0 HH11 ARG A 37 14.478 0.591 7.865 1.00 3.56 H new ATOM 0 HH12 ARG A 37 15.492 1.125 6.520 1.00 3.56 H new ATOM 0 HH21 ARG A 37 13.361 -0.217 4.016 1.00 3.26 H new ATOM 0 HH22 ARG A 37 14.858 0.666 4.335 1.00 3.26 H new ATOM 568 N SER A 38 7.746 2.103 9.302 1.00 1.25 N ATOM 569 CA SER A 38 7.163 3.297 9.890 1.00 1.59 C ATOM 570 C SER A 38 6.197 2.909 11.011 1.00 1.59 C ATOM 571 O SER A 38 5.952 3.697 11.924 1.00 1.93 O ATOM 572 CB SER A 38 6.441 4.134 8.832 1.00 1.71 C ATOM 573 OG SER A 38 6.844 5.501 8.867 1.00 1.99 O ATOM 0 H SER A 38 7.745 2.085 8.282 1.00 1.25 H new ATOM 0 HA SER A 38 7.968 3.903 10.307 1.00 1.59 H new ATOM 0 HB2 SER A 38 6.643 3.722 7.843 1.00 1.71 H new ATOM 0 HB3 SER A 38 5.365 4.069 8.991 1.00 1.71 H new ATOM 0 HG SER A 38 6.362 6.002 8.176 1.00 1.99 H new ATOM 579 N LEU A 39 5.674 1.697 10.906 1.00 1.27 N ATOM 580 CA LEU A 39 4.740 1.195 11.899 1.00 1.38 C ATOM 581 C LEU A 39 5.519 0.525 13.033 1.00 1.35 C ATOM 582 O LEU A 39 5.256 0.780 14.207 1.00 1.84 O ATOM 583 CB LEU A 39 3.699 0.284 11.245 1.00 1.29 C ATOM 584 CG LEU A 39 2.764 0.951 10.235 1.00 1.41 C ATOM 585 CD1 LEU A 39 1.760 -0.056 9.669 1.00 1.60 C ATOM 586 CD2 LEU A 39 2.070 2.168 10.851 1.00 1.51 C ATOM 0 H LEU A 39 5.880 1.047 10.147 1.00 1.27 H new ATOM 0 HA LEU A 39 4.176 2.017 12.341 1.00 1.38 H new ATOM 0 HB2 LEU A 39 4.222 -0.530 10.743 1.00 1.29 H new ATOM 0 HB3 LEU A 39 3.092 -0.164 12.032 1.00 1.29 H new ATOM 0 HG LEU A 39 3.364 1.311 9.400 1.00 1.41 H new ATOM 0 HD11 LEU A 39 1.107 0.444 8.954 1.00 1.60 H new ATOM 0 HD12 LEU A 39 2.296 -0.863 9.169 1.00 1.60 H new ATOM 0 HD13 LEU A 39 1.161 -0.468 10.481 1.00 1.60 H new ATOM 0 HD21 LEU A 39 1.411 2.624 10.112 1.00 1.51 H new ATOM 0 HD22 LEU A 39 1.484 1.854 11.715 1.00 1.51 H new ATOM 0 HD23 LEU A 39 2.820 2.894 11.165 1.00 1.51 H new ATOM 598 N GLY A 40 6.462 -0.319 12.641 1.00 1.23 N ATOM 599 CA GLY A 40 7.281 -1.028 13.609 1.00 1.15 C ATOM 600 C GLY A 40 7.464 -2.492 13.205 1.00 1.18 C ATOM 601 O GLY A 40 7.361 -3.389 14.041 1.00 2.10 O ATOM 0 H GLY A 40 6.677 -0.528 11.666 1.00 1.23 H new ATOM 0 HA2 GLY A 40 8.255 -0.545 13.690 1.00 1.15 H new ATOM 0 HA3 GLY A 40 6.816 -0.974 14.593 1.00 1.15 H new ATOM 605 N GLN A 41 7.733 -2.690 11.923 1.00 0.74 N ATOM 606 CA GLN A 41 7.932 -4.030 11.398 1.00 0.71 C ATOM 607 C GLN A 41 8.920 -4.001 10.230 1.00 1.03 C ATOM 608 O GLN A 41 8.953 -3.040 9.463 1.00 2.26 O ATOM 609 CB GLN A 41 6.601 -4.656 10.975 1.00 0.66 C ATOM 610 CG GLN A 41 5.695 -3.619 10.309 1.00 1.75 C ATOM 611 CD GLN A 41 4.395 -3.440 11.097 1.00 2.63 C ATOM 612 OE1 GLN A 41 3.378 -4.051 10.813 1.00 3.54 O ATOM 613 NE2 GLN A 41 4.486 -2.571 12.099 1.00 3.56 N ATOM 0 H GLN A 41 7.818 -1.944 11.232 1.00 0.74 H new ATOM 0 HA GLN A 41 8.353 -4.651 12.189 1.00 0.71 H new ATOM 0 HB2 GLN A 41 6.785 -5.480 10.285 1.00 0.66 H new ATOM 0 HB3 GLN A 41 6.099 -5.076 11.847 1.00 0.66 H new ATOM 0 HG2 GLN A 41 6.217 -2.665 10.241 1.00 1.75 H new ATOM 0 HG3 GLN A 41 5.467 -3.931 9.290 1.00 1.75 H new ATOM 0 HE21 GLN A 41 5.369 -2.094 12.282 1.00 3.56 H new ATOM 0 HE22 GLN A 41 3.673 -2.381 12.685 1.00 3.56 H new ATOM 622 N ASN A 42 9.702 -5.067 10.132 1.00 0.64 N ATOM 623 CA ASN A 42 10.688 -5.176 9.070 1.00 0.65 C ATOM 624 C ASN A 42 10.477 -6.490 8.316 1.00 0.57 C ATOM 625 O ASN A 42 11.272 -7.419 8.446 1.00 0.58 O ATOM 626 CB ASN A 42 12.109 -5.180 9.637 1.00 0.88 C ATOM 627 CG ASN A 42 12.557 -3.763 10.005 1.00 1.31 C ATOM 628 OD1 ASN A 42 13.527 -3.237 9.486 1.00 2.24 O ATOM 629 ND2 ASN A 42 11.797 -3.178 10.926 1.00 1.80 N ATOM 0 H ASN A 42 9.673 -5.862 10.770 1.00 0.64 H new ATOM 0 HA ASN A 42 10.566 -4.319 8.407 1.00 0.65 H new ATOM 0 HB2 ASN A 42 12.151 -5.819 10.519 1.00 0.88 H new ATOM 0 HB3 ASN A 42 12.796 -5.603 8.904 1.00 0.88 H new ATOM 0 HD21 ASN A 42 12.012 -2.231 11.239 1.00 1.80 H new ATOM 0 HD22 ASN A 42 10.999 -3.676 11.320 1.00 1.80 H new ATOM 636 N PRO A 43 9.371 -6.527 7.525 1.00 0.55 N ATOM 637 CA PRO A 43 9.045 -7.712 6.750 1.00 0.55 C ATOM 638 C PRO A 43 9.963 -7.842 5.533 1.00 0.57 C ATOM 639 O PRO A 43 10.766 -6.951 5.259 1.00 0.62 O ATOM 640 CB PRO A 43 7.582 -7.546 6.374 1.00 0.61 C ATOM 641 CG PRO A 43 7.271 -6.069 6.552 1.00 0.63 C ATOM 642 CD PRO A 43 8.407 -5.446 7.347 1.00 0.61 C ATOM 0 HA PRO A 43 9.197 -8.635 7.310 1.00 0.55 H new ATOM 0 HB2 PRO A 43 7.405 -7.861 5.346 1.00 0.61 H new ATOM 0 HB3 PRO A 43 6.943 -8.159 7.010 1.00 0.61 H new ATOM 0 HG2 PRO A 43 7.171 -5.581 5.583 1.00 0.63 H new ATOM 0 HG3 PRO A 43 6.323 -5.939 7.074 1.00 0.63 H new ATOM 0 HD2 PRO A 43 8.849 -4.605 6.813 1.00 0.61 H new ATOM 0 HD3 PRO A 43 8.057 -5.066 8.307 1.00 0.61 H new ATOM 650 N THR A 44 9.815 -8.958 4.836 1.00 0.59 N ATOM 651 CA THR A 44 10.621 -9.216 3.654 1.00 0.63 C ATOM 652 C THR A 44 9.844 -8.850 2.388 1.00 0.56 C ATOM 653 O THR A 44 8.626 -9.018 2.332 1.00 0.50 O ATOM 654 CB THR A 44 11.063 -10.680 3.694 1.00 0.70 C ATOM 655 OG1 THR A 44 9.948 -11.365 4.258 1.00 0.69 O ATOM 656 CG2 THR A 44 12.195 -10.923 4.695 1.00 0.81 C ATOM 0 H THR A 44 9.149 -9.695 5.067 1.00 0.59 H new ATOM 0 HA THR A 44 11.514 -8.592 3.640 1.00 0.63 H new ATOM 0 HB THR A 44 11.385 -10.988 2.699 1.00 0.70 H new ATOM 0 HG1 THR A 44 10.149 -12.322 4.319 1.00 0.69 H new ATOM 0 HG21 THR A 44 12.471 -11.978 4.684 1.00 0.81 H new ATOM 0 HG22 THR A 44 13.060 -10.319 4.420 1.00 0.81 H new ATOM 0 HG23 THR A 44 11.862 -10.646 5.695 1.00 0.81 H new ATOM 664 N GLU A 45 10.579 -8.357 1.403 1.00 0.61 N ATOM 665 CA GLU A 45 9.974 -7.966 0.141 1.00 0.56 C ATOM 666 C GLU A 45 9.382 -9.187 -0.565 1.00 0.52 C ATOM 667 O GLU A 45 8.524 -9.050 -1.436 1.00 0.48 O ATOM 668 CB GLU A 45 10.989 -7.253 -0.756 1.00 0.60 C ATOM 669 CG GLU A 45 12.099 -8.210 -1.195 1.00 0.67 C ATOM 670 CD GLU A 45 12.021 -8.487 -2.698 1.00 2.38 C ATOM 671 OE1 GLU A 45 11.921 -7.497 -3.454 1.00 3.15 O ATOM 672 OE2 GLU A 45 12.062 -9.684 -3.057 1.00 3.81 O ATOM 0 H GLU A 45 11.588 -8.219 1.453 1.00 0.61 H new ATOM 0 HA GLU A 45 9.166 -7.264 0.350 1.00 0.56 H new ATOM 0 HB2 GLU A 45 10.484 -6.849 -1.633 1.00 0.60 H new ATOM 0 HB3 GLU A 45 11.423 -6.408 -0.221 1.00 0.60 H new ATOM 0 HG2 GLU A 45 13.071 -7.782 -0.950 1.00 0.67 H new ATOM 0 HG3 GLU A 45 12.016 -9.147 -0.644 1.00 0.67 H new ATOM 679 N ALA A 46 9.862 -10.354 -0.162 1.00 0.56 N ATOM 680 CA ALA A 46 9.391 -11.599 -0.745 1.00 0.56 C ATOM 681 C ALA A 46 7.934 -11.827 -0.340 1.00 0.52 C ATOM 682 O ALA A 46 7.056 -11.929 -1.195 1.00 0.49 O ATOM 683 CB ALA A 46 10.304 -12.746 -0.308 1.00 0.63 C ATOM 0 H ALA A 46 10.573 -10.464 0.561 1.00 0.56 H new ATOM 0 HA ALA A 46 9.427 -11.551 -1.833 1.00 0.56 H new ATOM 0 HB1 ALA A 46 9.950 -13.680 -0.746 1.00 0.63 H new ATOM 0 HB2 ALA A 46 11.322 -12.550 -0.645 1.00 0.63 H new ATOM 0 HB3 ALA A 46 10.292 -12.827 0.779 1.00 0.63 H new ATOM 689 N GLU A 47 7.721 -11.901 0.966 1.00 0.54 N ATOM 690 CA GLU A 47 6.385 -12.115 1.496 1.00 0.52 C ATOM 691 C GLU A 47 5.425 -11.049 0.963 1.00 0.45 C ATOM 692 O GLU A 47 4.283 -11.352 0.620 1.00 0.43 O ATOM 693 CB GLU A 47 6.397 -12.126 3.026 1.00 0.56 C ATOM 694 CG GLU A 47 6.699 -13.527 3.562 1.00 0.73 C ATOM 695 CD GLU A 47 5.410 -14.326 3.765 1.00 1.12 C ATOM 696 OE1 GLU A 47 4.789 -14.672 2.737 1.00 1.98 O ATOM 697 OE2 GLU A 47 5.075 -14.572 4.944 1.00 1.58 O ATOM 0 H GLU A 47 8.452 -11.817 1.673 1.00 0.54 H new ATOM 0 HA GLU A 47 6.035 -13.091 1.161 1.00 0.52 H new ATOM 0 HB2 GLU A 47 7.146 -11.423 3.392 1.00 0.56 H new ATOM 0 HB3 GLU A 47 5.432 -11.789 3.403 1.00 0.56 H new ATOM 0 HG2 GLU A 47 7.352 -14.054 2.866 1.00 0.73 H new ATOM 0 HG3 GLU A 47 7.236 -13.451 4.507 1.00 0.73 H new ATOM 704 N LEU A 48 5.924 -9.823 0.909 1.00 0.43 N ATOM 705 CA LEU A 48 5.125 -8.711 0.423 1.00 0.39 C ATOM 706 C LEU A 48 4.928 -8.851 -1.087 1.00 0.36 C ATOM 707 O LEU A 48 3.923 -8.395 -1.631 1.00 0.36 O ATOM 708 CB LEU A 48 5.752 -7.378 0.840 1.00 0.42 C ATOM 709 CG LEU A 48 5.466 -6.922 2.273 1.00 0.44 C ATOM 710 CD1 LEU A 48 3.961 -6.834 2.530 1.00 0.50 C ATOM 711 CD2 LEU A 48 6.169 -7.827 3.287 1.00 0.48 C ATOM 0 H LEU A 48 6.872 -9.575 1.194 1.00 0.43 H new ATOM 0 HA LEU A 48 4.134 -8.727 0.877 1.00 0.39 H new ATOM 0 HB2 LEU A 48 6.832 -7.451 0.712 1.00 0.42 H new ATOM 0 HB3 LEU A 48 5.401 -6.605 0.157 1.00 0.42 H new ATOM 0 HG LEU A 48 5.873 -5.919 2.400 1.00 0.44 H new ATOM 0 HD11 LEU A 48 3.785 -6.508 3.555 1.00 0.50 H new ATOM 0 HD12 LEU A 48 3.515 -6.118 1.840 1.00 0.50 H new ATOM 0 HD13 LEU A 48 3.508 -7.814 2.378 1.00 0.50 H new ATOM 0 HD21 LEU A 48 5.949 -7.481 4.297 1.00 0.48 H new ATOM 0 HD22 LEU A 48 5.814 -8.851 3.169 1.00 0.48 H new ATOM 0 HD23 LEU A 48 7.245 -7.795 3.119 1.00 0.48 H new ATOM 723 N GLN A 49 5.903 -9.484 -1.723 1.00 0.35 N ATOM 724 CA GLN A 49 5.849 -9.691 -3.160 1.00 0.34 C ATOM 725 C GLN A 49 4.492 -10.272 -3.562 1.00 0.31 C ATOM 726 O GLN A 49 3.940 -9.907 -4.599 1.00 0.30 O ATOM 727 CB GLN A 49 6.992 -10.594 -3.627 1.00 0.42 C ATOM 728 CG GLN A 49 7.162 -10.522 -5.146 1.00 0.45 C ATOM 729 CD GLN A 49 8.332 -11.393 -5.609 1.00 0.68 C ATOM 730 OE1 GLN A 49 9.306 -11.596 -4.903 1.00 1.02 O ATOM 731 NE2 GLN A 49 8.181 -11.896 -6.831 1.00 1.72 N ATOM 0 H GLN A 49 6.735 -9.860 -1.269 1.00 0.35 H new ATOM 0 HA GLN A 49 5.969 -8.725 -3.651 1.00 0.34 H new ATOM 0 HB2 GLN A 49 7.920 -10.294 -3.139 1.00 0.42 H new ATOM 0 HB3 GLN A 49 6.793 -11.623 -3.328 1.00 0.42 H new ATOM 0 HG2 GLN A 49 6.244 -10.850 -5.634 1.00 0.45 H new ATOM 0 HG3 GLN A 49 7.332 -9.488 -5.448 1.00 0.45 H new ATOM 0 HE21 GLN A 49 7.340 -11.686 -7.369 1.00 1.72 H new ATOM 0 HE22 GLN A 49 8.906 -12.492 -7.231 1.00 1.72 H new ATOM 740 N ASP A 50 3.994 -11.166 -2.721 1.00 0.37 N ATOM 741 CA ASP A 50 2.712 -11.800 -2.976 1.00 0.43 C ATOM 742 C ASP A 50 1.592 -10.778 -2.771 1.00 0.42 C ATOM 743 O ASP A 50 0.547 -10.860 -3.415 1.00 0.47 O ATOM 744 CB ASP A 50 2.472 -12.964 -2.012 1.00 0.54 C ATOM 745 CG ASP A 50 1.074 -13.583 -2.081 1.00 0.84 C ATOM 746 OD1 ASP A 50 0.427 -13.408 -3.136 1.00 2.06 O ATOM 747 OD2 ASP A 50 0.684 -14.216 -1.076 1.00 1.66 O ATOM 0 H ASP A 50 4.455 -11.466 -1.862 1.00 0.37 H new ATOM 0 HA ASP A 50 2.719 -12.175 -4.000 1.00 0.43 H new ATOM 0 HB2 ASP A 50 3.208 -13.742 -2.215 1.00 0.54 H new ATOM 0 HB3 ASP A 50 2.649 -12.616 -0.994 1.00 0.54 H new ATOM 752 N MET A 51 1.849 -9.839 -1.873 1.00 0.42 N ATOM 753 CA MET A 51 0.875 -8.802 -1.575 1.00 0.47 C ATOM 754 C MET A 51 0.739 -7.826 -2.746 1.00 0.48 C ATOM 755 O MET A 51 -0.345 -7.672 -3.307 1.00 0.54 O ATOM 756 CB MET A 51 1.309 -8.039 -0.322 1.00 0.51 C ATOM 757 CG MET A 51 1.473 -8.987 0.868 1.00 0.88 C ATOM 758 SD MET A 51 -0.054 -9.864 1.164 1.00 1.96 S ATOM 759 CE MET A 51 -0.142 -9.740 2.943 1.00 2.17 C ATOM 0 H MET A 51 2.717 -9.774 -1.342 1.00 0.42 H new ATOM 0 HA MET A 51 -0.092 -9.275 -1.406 1.00 0.47 H new ATOM 0 HB2 MET A 51 2.250 -7.524 -0.513 1.00 0.51 H new ATOM 0 HB3 MET A 51 0.570 -7.274 -0.083 1.00 0.51 H new ATOM 0 HG2 MET A 51 2.277 -9.696 0.671 1.00 0.88 H new ATOM 0 HG3 MET A 51 1.756 -8.423 1.757 1.00 0.88 H new ATOM 0 HE1 MET A 51 -1.043 -10.240 3.298 1.00 2.17 H new ATOM 0 HE2 MET A 51 0.734 -10.215 3.385 1.00 2.17 H new ATOM 0 HE3 MET A 51 -0.171 -8.690 3.234 1.00 2.17 H new ATOM 769 N ILE A 52 1.853 -7.192 -3.079 1.00 0.45 N ATOM 770 CA ILE A 52 1.872 -6.235 -4.172 1.00 0.48 C ATOM 771 C ILE A 52 1.169 -6.843 -5.388 1.00 0.46 C ATOM 772 O ILE A 52 0.300 -6.211 -5.988 1.00 0.42 O ATOM 773 CB ILE A 52 3.302 -5.774 -4.457 1.00 0.48 C ATOM 774 CG1 ILE A 52 4.220 -6.968 -4.726 1.00 0.39 C ATOM 775 CG2 ILE A 52 3.829 -4.890 -3.324 1.00 0.56 C ATOM 776 CD1 ILE A 52 4.145 -7.398 -6.193 1.00 0.39 C ATOM 0 H ILE A 52 2.750 -7.322 -2.611 1.00 0.45 H new ATOM 0 HA ILE A 52 1.320 -5.335 -3.899 1.00 0.48 H new ATOM 0 HB ILE A 52 3.291 -5.166 -5.362 1.00 0.48 H new ATOM 0 HG12 ILE A 52 5.247 -6.706 -4.472 1.00 0.39 H new ATOM 0 HG13 ILE A 52 3.936 -7.802 -4.084 1.00 0.39 H new ATOM 0 HG21 ILE A 52 4.848 -4.576 -3.551 1.00 0.56 H new ATOM 0 HG22 ILE A 52 3.192 -4.011 -3.222 1.00 0.56 H new ATOM 0 HG23 ILE A 52 3.823 -5.453 -2.391 1.00 0.56 H new ATOM 0 HD11 ILE A 52 4.807 -8.248 -6.357 1.00 0.39 H new ATOM 0 HD12 ILE A 52 3.121 -7.682 -6.437 1.00 0.39 H new ATOM 0 HD13 ILE A 52 4.453 -6.570 -6.831 1.00 0.39 H new ATOM 788 N ASN A 53 1.570 -8.062 -5.716 1.00 0.54 N ATOM 789 CA ASN A 53 0.989 -8.762 -6.849 1.00 0.56 C ATOM 790 C ASN A 53 -0.487 -9.047 -6.565 1.00 0.47 C ATOM 791 O ASN A 53 -1.307 -9.061 -7.481 1.00 0.45 O ATOM 792 CB ASN A 53 1.692 -10.100 -7.089 1.00 0.69 C ATOM 793 CG ASN A 53 1.525 -10.555 -8.540 1.00 1.03 C ATOM 794 OD1 ASN A 53 0.996 -9.848 -9.382 1.00 1.50 O ATOM 795 ND2 ASN A 53 2.004 -11.771 -8.784 1.00 1.40 N ATOM 0 H ASN A 53 2.291 -8.583 -5.217 1.00 0.54 H new ATOM 0 HA ASN A 53 1.104 -8.131 -7.730 1.00 0.56 H new ATOM 0 HB2 ASN A 53 2.752 -10.005 -6.854 1.00 0.69 H new ATOM 0 HB3 ASN A 53 1.283 -10.855 -6.418 1.00 0.69 H new ATOM 0 HD21 ASN A 53 1.941 -12.165 -9.723 1.00 1.40 H new ATOM 0 HD22 ASN A 53 2.435 -12.310 -8.033 1.00 1.40 H new ATOM 802 N GLU A 54 -0.780 -9.267 -5.291 1.00 0.48 N ATOM 803 CA GLU A 54 -2.142 -9.551 -4.875 1.00 0.47 C ATOM 804 C GLU A 54 -3.025 -8.317 -5.070 1.00 0.39 C ATOM 805 O GLU A 54 -4.003 -8.360 -5.815 1.00 0.38 O ATOM 806 CB GLU A 54 -2.184 -10.031 -3.423 1.00 0.57 C ATOM 807 CG GLU A 54 -3.626 -10.225 -2.951 1.00 0.58 C ATOM 808 CD GLU A 54 -4.149 -11.609 -3.342 1.00 0.83 C ATOM 809 OE1 GLU A 54 -3.453 -12.593 -3.010 1.00 1.76 O ATOM 810 OE2 GLU A 54 -5.232 -11.652 -3.963 1.00 1.75 O ATOM 0 H GLU A 54 -0.097 -9.254 -4.534 1.00 0.48 H new ATOM 0 HA GLU A 54 -2.531 -10.355 -5.500 1.00 0.47 H new ATOM 0 HB2 GLU A 54 -1.638 -10.970 -3.331 1.00 0.57 H new ATOM 0 HB3 GLU A 54 -1.682 -9.306 -2.782 1.00 0.57 H new ATOM 0 HG2 GLU A 54 -3.678 -10.105 -1.869 1.00 0.58 H new ATOM 0 HG3 GLU A 54 -4.262 -9.455 -3.388 1.00 0.58 H new ATOM 817 N VAL A 55 -2.648 -7.245 -4.389 1.00 0.37 N ATOM 818 CA VAL A 55 -3.393 -6.001 -4.478 1.00 0.33 C ATOM 819 C VAL A 55 -3.442 -5.544 -5.937 1.00 0.30 C ATOM 820 O VAL A 55 -4.494 -5.140 -6.429 1.00 0.40 O ATOM 821 CB VAL A 55 -2.779 -4.955 -3.545 1.00 0.34 C ATOM 822 CG1 VAL A 55 -2.747 -5.460 -2.101 1.00 0.38 C ATOM 823 CG2 VAL A 55 -1.379 -4.554 -4.016 1.00 0.31 C ATOM 0 H VAL A 55 -1.836 -7.212 -3.773 1.00 0.37 H new ATOM 0 HA VAL A 55 -4.421 -6.148 -4.148 1.00 0.33 H new ATOM 0 HB VAL A 55 -3.410 -4.067 -3.576 1.00 0.34 H new ATOM 0 HG11 VAL A 55 -2.306 -4.698 -1.459 1.00 0.38 H new ATOM 0 HG12 VAL A 55 -3.763 -5.673 -1.767 1.00 0.38 H new ATOM 0 HG13 VAL A 55 -2.149 -6.370 -2.047 1.00 0.38 H new ATOM 0 HG21 VAL A 55 -0.965 -3.810 -3.335 1.00 0.31 H new ATOM 0 HG22 VAL A 55 -0.734 -5.432 -4.028 1.00 0.31 H new ATOM 0 HG23 VAL A 55 -1.439 -4.134 -5.020 1.00 0.31 H new ATOM 833 N ASP A 56 -2.291 -5.624 -6.588 1.00 0.31 N ATOM 834 CA ASP A 56 -2.190 -5.225 -7.981 1.00 0.33 C ATOM 835 C ASP A 56 -3.255 -5.960 -8.797 1.00 0.30 C ATOM 836 O ASP A 56 -3.174 -7.173 -8.981 1.00 0.34 O ATOM 837 CB ASP A 56 -0.820 -5.584 -8.560 1.00 0.46 C ATOM 838 CG ASP A 56 -0.542 -5.028 -9.957 1.00 0.67 C ATOM 839 OD1 ASP A 56 -1.359 -5.317 -10.857 1.00 1.57 O ATOM 840 OD2 ASP A 56 0.483 -4.325 -10.094 1.00 0.89 O ATOM 0 H ASP A 56 -1.420 -5.959 -6.176 1.00 0.31 H new ATOM 0 HA ASP A 56 -2.331 -4.145 -8.032 1.00 0.33 H new ATOM 0 HB2 ASP A 56 -0.049 -5.220 -7.881 1.00 0.46 H new ATOM 0 HB3 ASP A 56 -0.730 -6.670 -8.593 1.00 0.46 H new ATOM 845 N ALA A 57 -4.230 -5.194 -9.265 1.00 0.35 N ATOM 846 CA ALA A 57 -5.310 -5.757 -10.057 1.00 0.43 C ATOM 847 C ALA A 57 -5.041 -5.494 -11.540 1.00 0.48 C ATOM 848 O ALA A 57 -5.012 -6.425 -12.343 1.00 0.51 O ATOM 849 CB ALA A 57 -6.644 -5.168 -9.593 1.00 0.55 C ATOM 0 H ALA A 57 -4.294 -4.188 -9.111 1.00 0.35 H new ATOM 0 HA ALA A 57 -5.364 -6.837 -9.919 1.00 0.43 H new ATOM 0 HB1 ALA A 57 -7.454 -5.590 -10.187 1.00 0.55 H new ATOM 0 HB2 ALA A 57 -6.802 -5.408 -8.542 1.00 0.55 H new ATOM 0 HB3 ALA A 57 -6.627 -4.085 -9.719 1.00 0.55 H new ATOM 855 N ASP A 58 -4.849 -4.222 -11.857 1.00 0.55 N ATOM 856 CA ASP A 58 -4.583 -3.825 -13.229 1.00 0.64 C ATOM 857 C ASP A 58 -3.575 -4.795 -13.849 1.00 0.58 C ATOM 858 O ASP A 58 -3.644 -5.090 -15.042 1.00 0.65 O ATOM 859 CB ASP A 58 -3.984 -2.418 -13.289 1.00 0.77 C ATOM 860 CG ASP A 58 -2.459 -2.360 -13.192 1.00 1.42 C ATOM 861 OD1 ASP A 58 -1.810 -2.949 -14.084 1.00 3.26 O ATOM 862 OD2 ASP A 58 -1.975 -1.727 -12.229 1.00 1.30 O ATOM 0 H ASP A 58 -4.872 -3.453 -11.187 1.00 0.55 H new ATOM 0 HA ASP A 58 -5.527 -3.838 -13.773 1.00 0.64 H new ATOM 0 HB2 ASP A 58 -4.292 -1.948 -14.223 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -4.407 -1.824 -12.479 1.00 0.77 H new ATOM 867 N GLY A 59 -2.661 -5.264 -13.012 1.00 0.52 N ATOM 868 CA GLY A 59 -1.640 -6.194 -13.464 1.00 0.57 C ATOM 869 C GLY A 59 -0.329 -5.465 -13.765 1.00 0.66 C ATOM 870 O GLY A 59 -0.227 -4.749 -14.760 1.00 0.90 O ATOM 0 H GLY A 59 -2.606 -5.017 -12.024 1.00 0.52 H new ATOM 0 HA2 GLY A 59 -1.471 -6.953 -12.700 1.00 0.57 H new ATOM 0 HA3 GLY A 59 -1.986 -6.713 -14.358 1.00 0.57 H new ATOM 874 N ASP A 60 0.642 -5.673 -12.888 1.00 0.59 N ATOM 875 CA ASP A 60 1.942 -5.045 -13.048 1.00 0.72 C ATOM 876 C ASP A 60 2.923 -5.648 -12.039 1.00 0.65 C ATOM 877 O ASP A 60 3.972 -6.164 -12.421 1.00 0.91 O ATOM 878 CB ASP A 60 1.862 -3.539 -12.787 1.00 0.77 C ATOM 879 CG ASP A 60 0.451 -2.951 -12.823 1.00 1.21 C ATOM 880 OD1 ASP A 60 -0.412 -3.502 -12.106 1.00 1.41 O ATOM 881 OD2 ASP A 60 0.266 -1.964 -13.567 1.00 2.70 O ATOM 0 H ASP A 60 0.554 -6.268 -12.064 1.00 0.59 H new ATOM 0 HA ASP A 60 2.276 -5.217 -14.071 1.00 0.72 H new ATOM 0 HB2 ASP A 60 2.301 -3.331 -11.811 1.00 0.77 H new ATOM 0 HB3 ASP A 60 2.473 -3.024 -13.528 1.00 0.77 H new ATOM 886 N GLY A 61 2.546 -5.563 -10.772 1.00 0.43 N ATOM 887 CA GLY A 61 3.378 -6.094 -9.706 1.00 0.56 C ATOM 888 C GLY A 61 3.776 -4.992 -8.721 1.00 0.66 C ATOM 889 O GLY A 61 4.851 -5.047 -8.124 1.00 1.29 O ATOM 0 H GLY A 61 1.675 -5.134 -10.459 1.00 0.43 H new ATOM 0 HA2 GLY A 61 2.840 -6.882 -9.178 1.00 0.56 H new ATOM 0 HA3 GLY A 61 4.273 -6.548 -10.130 1.00 0.56 H new ATOM 893 N THR A 62 2.889 -4.018 -8.582 1.00 0.41 N ATOM 894 CA THR A 62 3.134 -2.906 -7.680 1.00 0.53 C ATOM 895 C THR A 62 1.818 -2.402 -7.085 1.00 0.42 C ATOM 896 O THR A 62 0.745 -2.679 -7.619 1.00 0.31 O ATOM 897 CB THR A 62 3.903 -1.832 -8.451 1.00 0.74 C ATOM 898 OG1 THR A 62 5.059 -2.512 -8.935 1.00 0.89 O ATOM 899 CG2 THR A 62 4.467 -0.744 -7.536 1.00 0.91 C ATOM 0 H THR A 62 1.999 -3.976 -9.079 1.00 0.41 H new ATOM 0 HA THR A 62 3.742 -3.214 -6.829 1.00 0.53 H new ATOM 0 HB THR A 62 3.246 -1.378 -9.192 1.00 0.74 H new ATOM 0 HG1 THR A 62 5.226 -3.306 -8.385 1.00 0.89 H new ATOM 0 HG21 THR A 62 5.003 -0.007 -8.134 1.00 0.91 H new ATOM 0 HG22 THR A 62 3.650 -0.255 -7.005 1.00 0.91 H new ATOM 0 HG23 THR A 62 5.150 -1.193 -6.815 1.00 0.91 H new ATOM 907 N ILE A 63 1.944 -1.670 -5.988 1.00 0.61 N ATOM 908 CA ILE A 63 0.777 -1.124 -5.314 1.00 0.55 C ATOM 909 C ILE A 63 0.474 0.266 -5.876 1.00 0.58 C ATOM 910 O ILE A 63 1.344 0.905 -6.465 1.00 0.81 O ATOM 911 CB ILE A 63 0.976 -1.145 -3.798 1.00 0.56 C ATOM 912 CG1 ILE A 63 1.496 -2.507 -3.331 1.00 0.61 C ATOM 913 CG2 ILE A 63 -0.310 -0.744 -3.071 1.00 0.58 C ATOM 914 CD1 ILE A 63 1.307 -2.679 -1.823 1.00 0.71 C ATOM 0 H ILE A 63 2.836 -1.442 -5.549 1.00 0.61 H new ATOM 0 HA ILE A 63 -0.099 -1.744 -5.505 1.00 0.55 H new ATOM 0 HB ILE A 63 1.735 -0.406 -3.543 1.00 0.56 H new ATOM 0 HG12 ILE A 63 0.970 -3.302 -3.860 1.00 0.61 H new ATOM 0 HG13 ILE A 63 2.552 -2.602 -3.582 1.00 0.61 H new ATOM 0 HG21 ILE A 63 -0.142 -0.767 -1.994 1.00 0.58 H new ATOM 0 HG22 ILE A 63 -0.599 0.263 -3.372 1.00 0.58 H new ATOM 0 HG23 ILE A 63 -1.106 -1.442 -3.329 1.00 0.58 H new ATOM 0 HD11 ILE A 63 1.685 -3.655 -1.518 1.00 0.71 H new ATOM 0 HD12 ILE A 63 1.854 -1.897 -1.296 1.00 0.71 H new ATOM 0 HD13 ILE A 63 0.247 -2.608 -1.579 1.00 0.71 H new ATOM 926 N ASP A 64 -0.763 0.694 -5.673 1.00 0.53 N ATOM 927 CA ASP A 64 -1.192 1.997 -6.151 1.00 0.57 C ATOM 928 C ASP A 64 -2.105 2.644 -5.107 1.00 0.55 C ATOM 929 O ASP A 64 -2.278 2.110 -4.013 1.00 0.68 O ATOM 930 CB ASP A 64 -1.981 1.873 -7.456 1.00 0.58 C ATOM 931 CG ASP A 64 -1.281 1.080 -8.562 1.00 2.22 C ATOM 932 OD1 ASP A 64 -0.104 0.719 -8.343 1.00 3.61 O ATOM 933 OD2 ASP A 64 -1.938 0.853 -9.600 1.00 3.05 O ATOM 0 H ASP A 64 -1.482 0.161 -5.184 1.00 0.53 H new ATOM 0 HA ASP A 64 -0.302 2.602 -6.323 1.00 0.57 H new ATOM 0 HB2 ASP A 64 -2.939 1.399 -7.240 1.00 0.58 H new ATOM 0 HB3 ASP A 64 -2.197 2.874 -7.829 1.00 0.58 H new ATOM 938 N PHE A 65 -2.665 3.785 -5.482 1.00 0.54 N ATOM 939 CA PHE A 65 -3.555 4.510 -4.592 1.00 0.54 C ATOM 940 C PHE A 65 -4.895 3.786 -4.448 1.00 0.46 C ATOM 941 O PHE A 65 -5.374 3.576 -3.334 1.00 0.45 O ATOM 942 CB PHE A 65 -3.796 5.883 -5.222 1.00 0.62 C ATOM 943 CG PHE A 65 -3.595 7.054 -4.258 1.00 0.80 C ATOM 944 CD1 PHE A 65 -3.928 6.920 -2.946 1.00 0.55 C ATOM 945 CD2 PHE A 65 -3.083 8.229 -4.713 1.00 1.82 C ATOM 946 CE1 PHE A 65 -3.741 8.007 -2.052 1.00 0.55 C ATOM 947 CE2 PHE A 65 -2.896 9.316 -3.819 1.00 2.04 C ATOM 948 CZ PHE A 65 -3.229 9.182 -2.507 1.00 1.21 C ATOM 0 H PHE A 65 -2.519 4.225 -6.391 1.00 0.54 H new ATOM 0 HA PHE A 65 -3.107 4.590 -3.601 1.00 0.54 H new ATOM 0 HB2 PHE A 65 -3.123 6.005 -6.071 1.00 0.62 H new ATOM 0 HB3 PHE A 65 -4.813 5.918 -5.613 1.00 0.62 H new ATOM 0 HD1 PHE A 65 -4.335 5.987 -2.584 1.00 0.55 H new ATOM 0 HD2 PHE A 65 -2.819 8.335 -5.755 1.00 1.82 H new ATOM 0 HE1 PHE A 65 -4.005 7.901 -1.010 1.00 0.55 H new ATOM 0 HE2 PHE A 65 -2.489 10.249 -4.181 1.00 2.04 H new ATOM 0 HZ PHE A 65 -3.087 10.009 -1.827 1.00 1.21 H new ATOM 958 N PRO A 66 -5.477 3.414 -5.619 1.00 0.45 N ATOM 959 CA PRO A 66 -6.752 2.718 -5.634 1.00 0.46 C ATOM 960 C PRO A 66 -6.584 1.256 -5.214 1.00 0.44 C ATOM 961 O PRO A 66 -7.500 0.658 -4.653 1.00 0.58 O ATOM 962 CB PRO A 66 -7.269 2.872 -7.055 1.00 0.51 C ATOM 963 CG PRO A 66 -6.060 3.244 -7.899 1.00 0.50 C ATOM 964 CD PRO A 66 -4.939 3.647 -6.956 1.00 0.49 C ATOM 0 HA PRO A 66 -7.464 3.130 -4.919 1.00 0.46 H new ATOM 0 HB2 PRO A 66 -7.722 1.946 -7.408 1.00 0.51 H new ATOM 0 HB3 PRO A 66 -8.037 3.644 -7.110 1.00 0.51 H new ATOM 0 HG2 PRO A 66 -5.753 2.401 -8.518 1.00 0.50 H new ATOM 0 HG3 PRO A 66 -6.304 4.064 -8.574 1.00 0.50 H new ATOM 0 HD2 PRO A 66 -4.042 3.053 -7.131 1.00 0.49 H new ATOM 0 HD3 PRO A 66 -4.662 4.692 -7.095 1.00 0.49 H new ATOM 972 N GLU A 67 -5.405 0.724 -5.503 1.00 0.39 N ATOM 973 CA GLU A 67 -5.105 -0.657 -5.162 1.00 0.43 C ATOM 974 C GLU A 67 -4.963 -0.811 -3.647 1.00 0.41 C ATOM 975 O GLU A 67 -5.706 -1.567 -3.024 1.00 0.52 O ATOM 976 CB GLU A 67 -3.844 -1.137 -5.883 1.00 0.48 C ATOM 977 CG GLU A 67 -4.152 -1.519 -7.332 1.00 0.56 C ATOM 978 CD GLU A 67 -2.867 -1.823 -8.105 1.00 0.49 C ATOM 979 OE1 GLU A 67 -1.792 -1.450 -7.587 1.00 1.75 O ATOM 980 OE2 GLU A 67 -2.989 -2.422 -9.195 1.00 1.90 O ATOM 0 H GLU A 67 -4.647 1.223 -5.969 1.00 0.39 H new ATOM 0 HA GLU A 67 -5.934 -1.282 -5.494 1.00 0.43 H new ATOM 0 HB2 GLU A 67 -3.088 -0.352 -5.863 1.00 0.48 H new ATOM 0 HB3 GLU A 67 -3.425 -1.996 -5.358 1.00 0.48 H new ATOM 0 HG2 GLU A 67 -4.806 -2.391 -7.351 1.00 0.56 H new ATOM 0 HG3 GLU A 67 -4.690 -0.706 -7.820 1.00 0.56 H new ATOM 987 N PHE A 68 -4.003 -0.081 -3.097 1.00 0.38 N ATOM 988 CA PHE A 68 -3.753 -0.127 -1.667 1.00 0.37 C ATOM 989 C PHE A 68 -5.018 0.220 -0.878 1.00 0.33 C ATOM 990 O PHE A 68 -5.270 -0.354 0.180 1.00 0.43 O ATOM 991 CB PHE A 68 -2.677 0.917 -1.367 1.00 0.44 C ATOM 992 CG PHE A 68 -1.873 0.636 -0.095 1.00 0.63 C ATOM 993 CD1 PHE A 68 -1.472 -0.633 0.189 1.00 1.34 C ATOM 994 CD2 PHE A 68 -1.561 1.653 0.751 1.00 0.37 C ATOM 995 CE1 PHE A 68 -0.727 -0.894 1.369 1.00 1.60 C ATOM 996 CE2 PHE A 68 -0.815 1.392 1.931 1.00 0.48 C ATOM 997 CZ PHE A 68 -0.414 0.124 2.215 1.00 1.12 C ATOM 0 H PHE A 68 -3.389 0.546 -3.617 1.00 0.38 H new ATOM 0 HA PHE A 68 -3.439 -1.130 -1.376 1.00 0.37 H new ATOM 0 HB2 PHE A 68 -1.992 0.971 -2.213 1.00 0.44 H new ATOM 0 HB3 PHE A 68 -3.150 1.895 -1.277 1.00 0.44 H new ATOM 0 HD1 PHE A 68 -1.720 -1.441 -0.483 1.00 1.34 H new ATOM 0 HD2 PHE A 68 -1.880 2.660 0.526 1.00 0.37 H new ATOM 0 HE1 PHE A 68 -0.409 -1.901 1.595 1.00 1.60 H new ATOM 0 HE2 PHE A 68 -0.566 2.200 2.603 1.00 0.48 H new ATOM 0 HZ PHE A 68 0.153 -0.075 3.112 1.00 1.12 H new ATOM 1007 N LEU A 69 -5.779 1.157 -1.425 1.00 0.35 N ATOM 1008 CA LEU A 69 -7.011 1.587 -0.786 1.00 0.42 C ATOM 1009 C LEU A 69 -7.812 0.357 -0.353 1.00 0.43 C ATOM 1010 O LEU A 69 -8.246 0.267 0.794 1.00 0.55 O ATOM 1011 CB LEU A 69 -7.786 2.536 -1.702 1.00 0.56 C ATOM 1012 CG LEU A 69 -9.290 2.278 -1.816 1.00 0.99 C ATOM 1013 CD1 LEU A 69 -9.983 2.470 -0.465 1.00 1.70 C ATOM 1014 CD2 LEU A 69 -9.914 3.147 -2.909 1.00 1.68 C ATOM 0 H LEU A 69 -5.566 1.630 -2.303 1.00 0.35 H new ATOM 0 HA LEU A 69 -6.794 2.159 0.116 1.00 0.42 H new ATOM 0 HB2 LEU A 69 -7.638 3.555 -1.345 1.00 0.56 H new ATOM 0 HB3 LEU A 69 -7.351 2.482 -2.700 1.00 0.56 H new ATOM 0 HG LEU A 69 -9.437 1.238 -2.109 1.00 0.99 H new ATOM 0 HD11 LEU A 69 -11.051 2.281 -0.574 1.00 1.70 H new ATOM 0 HD12 LEU A 69 -9.563 1.774 0.261 1.00 1.70 H new ATOM 0 HD13 LEU A 69 -9.829 3.492 -0.119 1.00 1.70 H new ATOM 0 HD21 LEU A 69 -10.983 2.944 -2.969 1.00 1.68 H new ATOM 0 HD22 LEU A 69 -9.757 4.199 -2.671 1.00 1.68 H new ATOM 0 HD23 LEU A 69 -9.447 2.918 -3.867 1.00 1.68 H new ATOM 1026 N THR A 70 -7.984 -0.559 -1.295 1.00 0.47 N ATOM 1027 CA THR A 70 -8.726 -1.779 -1.026 1.00 0.64 C ATOM 1028 C THR A 70 -7.930 -2.691 -0.090 1.00 0.57 C ATOM 1029 O THR A 70 -8.465 -3.189 0.900 1.00 0.77 O ATOM 1030 CB THR A 70 -9.065 -2.432 -2.367 1.00 0.83 C ATOM 1031 OG1 THR A 70 -10.117 -1.625 -2.890 1.00 0.97 O ATOM 1032 CG2 THR A 70 -9.702 -3.813 -2.202 1.00 1.05 C ATOM 0 H THR A 70 -7.622 -0.481 -2.245 1.00 0.47 H new ATOM 0 HA THR A 70 -9.660 -1.567 -0.506 1.00 0.64 H new ATOM 0 HB THR A 70 -8.159 -2.520 -2.967 1.00 0.83 H new ATOM 0 HG1 THR A 70 -10.397 -1.977 -3.761 1.00 0.97 H new ATOM 0 HG21 THR A 70 -9.923 -4.232 -3.184 1.00 1.05 H new ATOM 0 HG22 THR A 70 -9.012 -4.471 -1.674 1.00 1.05 H new ATOM 0 HG23 THR A 70 -10.626 -3.722 -1.631 1.00 1.05 H new ATOM 1040 N MET A 71 -6.666 -2.882 -0.436 1.00 0.41 N ATOM 1041 CA MET A 71 -5.791 -3.726 0.361 1.00 0.40 C ATOM 1042 C MET A 71 -5.982 -3.457 1.855 1.00 0.43 C ATOM 1043 O MET A 71 -6.342 -4.358 2.610 1.00 0.53 O ATOM 1044 CB MET A 71 -4.334 -3.459 -0.024 1.00 0.44 C ATOM 1045 CG MET A 71 -3.375 -4.168 0.934 1.00 0.47 C ATOM 1046 SD MET A 71 -3.627 -5.934 0.853 1.00 2.68 S ATOM 1047 CE MET A 71 -1.933 -6.483 0.732 1.00 2.90 C ATOM 0 H MET A 71 -6.226 -2.467 -1.257 1.00 0.41 H new ATOM 0 HA MET A 71 -6.043 -4.768 0.163 1.00 0.40 H new ATOM 0 HB2 MET A 71 -4.155 -3.801 -1.043 1.00 0.44 H new ATOM 0 HB3 MET A 71 -4.141 -2.386 -0.010 1.00 0.44 H new ATOM 0 HG2 MET A 71 -2.344 -3.927 0.674 1.00 0.47 H new ATOM 0 HG3 MET A 71 -3.538 -3.815 1.952 1.00 0.47 H new ATOM 0 HE1 MET A 71 -1.878 -7.352 0.077 1.00 2.90 H new ATOM 0 HE2 MET A 71 -1.319 -5.681 0.323 1.00 2.90 H new ATOM 0 HE3 MET A 71 -1.566 -6.752 1.723 1.00 2.90 H new ATOM 1057 N MET A 72 -5.733 -2.213 2.236 1.00 0.43 N ATOM 1058 CA MET A 72 -5.873 -1.814 3.626 1.00 0.57 C ATOM 1059 C MET A 72 -7.285 -2.102 4.140 1.00 0.65 C ATOM 1060 O MET A 72 -7.456 -2.810 5.132 1.00 0.79 O ATOM 1061 CB MET A 72 -5.576 -0.319 3.761 1.00 0.62 C ATOM 1062 CG MET A 72 -4.385 -0.079 4.691 1.00 1.34 C ATOM 1063 SD MET A 72 -4.962 0.421 6.305 1.00 2.02 S ATOM 1064 CE MET A 72 -3.515 0.047 7.281 1.00 2.82 C ATOM 0 H MET A 72 -5.435 -1.468 1.606 1.00 0.43 H new ATOM 0 HA MET A 72 -5.165 -2.390 4.222 1.00 0.57 H new ATOM 0 HB2 MET A 72 -5.366 0.104 2.779 1.00 0.62 H new ATOM 0 HB3 MET A 72 -6.455 0.197 4.149 1.00 0.62 H new ATOM 0 HG2 MET A 72 -3.789 -0.988 4.774 1.00 1.34 H new ATOM 0 HG3 MET A 72 -3.736 0.691 4.273 1.00 1.34 H new ATOM 0 HE1 MET A 72 -3.704 0.301 8.324 1.00 2.82 H new ATOM 0 HE2 MET A 72 -3.287 -1.016 7.202 1.00 2.82 H new ATOM 0 HE3 MET A 72 -2.669 0.627 6.914 1.00 2.82 H new ATOM 1074 N ALA A 73 -8.260 -1.539 3.442 1.00 0.60 N ATOM 1075 CA ALA A 73 -9.652 -1.727 3.815 1.00 0.75 C ATOM 1076 C ALA A 73 -9.907 -3.211 4.087 1.00 0.84 C ATOM 1077 O ALA A 73 -10.378 -3.576 5.163 1.00 0.99 O ATOM 1078 CB ALA A 73 -10.556 -1.174 2.711 1.00 0.74 C ATOM 0 H ALA A 73 -8.114 -0.953 2.620 1.00 0.60 H new ATOM 0 HA ALA A 73 -9.881 -1.180 4.729 1.00 0.75 H new ATOM 0 HB1 ALA A 73 -11.600 -1.315 2.991 1.00 0.74 H new ATOM 0 HB2 ALA A 73 -10.357 -0.111 2.576 1.00 0.74 H new ATOM 0 HB3 ALA A 73 -10.356 -1.702 1.778 1.00 0.74 H new ATOM 1084 N ARG A 74 -9.584 -4.026 3.094 1.00 0.78 N ATOM 1085 CA ARG A 74 -9.772 -5.462 3.213 1.00 0.89 C ATOM 1086 C ARG A 74 -8.936 -6.013 4.371 1.00 0.92 C ATOM 1087 O ARG A 74 -9.383 -6.898 5.098 1.00 1.10 O ATOM 1088 CB ARG A 74 -9.375 -6.179 1.921 1.00 0.85 C ATOM 1089 CG ARG A 74 -10.334 -5.826 0.782 1.00 0.90 C ATOM 1090 CD ARG A 74 -11.370 -6.933 0.574 1.00 1.21 C ATOM 1091 NE ARG A 74 -12.324 -6.540 -0.487 1.00 1.82 N ATOM 1092 CZ ARG A 74 -13.478 -7.175 -0.731 1.00 2.77 C ATOM 1093 NH1 ARG A 74 -13.829 -8.236 0.008 1.00 3.53 N ATOM 1094 NH2 ARG A 74 -14.282 -6.749 -1.715 1.00 3.64 N ATOM 0 H ARG A 74 -9.193 -3.719 2.203 1.00 0.78 H new ATOM 0 HA ARG A 74 -10.830 -5.643 3.405 1.00 0.89 H new ATOM 0 HB2 ARG A 74 -8.358 -5.901 1.644 1.00 0.85 H new ATOM 0 HB3 ARG A 74 -9.378 -7.257 2.083 1.00 0.85 H new ATOM 0 HG2 ARG A 74 -10.840 -4.887 1.006 1.00 0.90 H new ATOM 0 HG3 ARG A 74 -9.770 -5.673 -0.138 1.00 0.90 H new ATOM 0 HD2 ARG A 74 -10.871 -7.863 0.300 1.00 1.21 H new ATOM 0 HD3 ARG A 74 -11.905 -7.121 1.505 1.00 1.21 H new ATOM 0 HE ARG A 74 -12.088 -5.736 -1.068 1.00 1.82 H new ATOM 0 HH11 ARG A 74 -13.217 -8.561 0.757 1.00 3.53 H new ATOM 0 HH12 ARG A 74 -14.708 -8.719 -0.178 1.00 3.53 H new ATOM 0 HH21 ARG A 74 -14.015 -5.941 -2.278 1.00 3.64 H new ATOM 0 HH22 ARG A 74 -15.161 -7.232 -1.901 1.00 3.64 H new ATOM 1108 N LYS A 75 -7.737 -5.465 4.505 1.00 0.81 N ATOM 1109 CA LYS A 75 -6.835 -5.891 5.562 1.00 0.90 C ATOM 1110 C LYS A 75 -7.627 -6.082 6.857 1.00 1.02 C ATOM 1111 O LYS A 75 -7.636 -7.172 7.428 1.00 1.17 O ATOM 1112 CB LYS A 75 -5.666 -4.911 5.695 1.00 0.88 C ATOM 1113 CG LYS A 75 -4.344 -5.658 5.886 1.00 1.01 C ATOM 1114 CD LYS A 75 -3.820 -6.194 4.552 1.00 1.89 C ATOM 1115 CE LYS A 75 -4.236 -7.651 4.345 1.00 2.23 C ATOM 1116 NZ LYS A 75 -3.205 -8.380 3.573 1.00 3.38 N ATOM 0 H LYS A 75 -7.369 -4.731 3.900 1.00 0.81 H new ATOM 0 HA LYS A 75 -6.388 -6.854 5.316 1.00 0.90 H new ATOM 0 HB2 LYS A 75 -5.609 -4.285 4.805 1.00 0.88 H new ATOM 0 HB3 LYS A 75 -5.838 -4.247 6.542 1.00 0.88 H new ATOM 0 HG2 LYS A 75 -3.605 -4.990 6.329 1.00 1.01 H new ATOM 0 HG3 LYS A 75 -4.486 -6.484 6.583 1.00 1.01 H new ATOM 0 HD2 LYS A 75 -4.203 -5.583 3.735 1.00 1.89 H new ATOM 0 HD3 LYS A 75 -2.733 -6.115 4.526 1.00 1.89 H new ATOM 0 HE2 LYS A 75 -4.384 -8.134 5.311 1.00 2.23 H new ATOM 0 HE3 LYS A 75 -5.190 -7.692 3.818 1.00 2.23 H new ATOM 0 HZ1 LYS A 75 -3.453 -9.389 3.529 1.00 3.38 H new ATOM 0 HZ2 LYS A 75 -3.155 -7.993 2.609 1.00 3.38 H new ATOM 0 HZ3 LYS A 75 -2.281 -8.271 4.038 1.00 3.38 H new ATOM 1130 N MET A 76 -8.273 -5.007 7.283 1.00 1.01 N ATOM 1131 CA MET A 76 -9.066 -5.043 8.499 1.00 1.16 C ATOM 1132 C MET A 76 -10.116 -6.154 8.437 1.00 1.32 C ATOM 1133 O MET A 76 -10.312 -6.883 9.408 1.00 1.59 O ATOM 1134 CB MET A 76 -9.761 -3.694 8.696 1.00 1.18 C ATOM 1135 CG MET A 76 -8.846 -2.707 9.424 1.00 2.42 C ATOM 1136 SD MET A 76 -9.685 -2.032 10.848 1.00 3.16 S ATOM 1137 CE MET A 76 -9.191 -3.217 12.089 1.00 4.77 C ATOM 0 H MET A 76 -8.263 -4.105 6.807 1.00 1.01 H new ATOM 0 HA MET A 76 -8.400 -5.245 9.338 1.00 1.16 H new ATOM 0 HB2 MET A 76 -10.047 -3.284 7.728 1.00 1.18 H new ATOM 0 HB3 MET A 76 -10.679 -3.834 9.267 1.00 1.18 H new ATOM 0 HG2 MET A 76 -7.930 -3.209 9.736 1.00 2.42 H new ATOM 0 HG3 MET A 76 -8.554 -1.903 8.749 1.00 2.42 H new ATOM 0 HE1 MET A 76 -9.631 -2.944 13.048 1.00 4.77 H new ATOM 0 HE2 MET A 76 -9.536 -4.210 11.801 1.00 4.77 H new ATOM 0 HE3 MET A 76 -8.104 -3.221 12.176 1.00 4.77 H new ATOM 1147 N LYS A 77 -10.763 -6.248 7.285 1.00 1.21 N ATOM 1148 CA LYS A 77 -11.788 -7.258 7.082 1.00 1.37 C ATOM 1149 C LYS A 77 -11.181 -8.645 7.301 1.00 1.45 C ATOM 1150 O LYS A 77 -11.708 -9.443 8.075 1.00 1.69 O ATOM 1151 CB LYS A 77 -12.448 -7.085 5.713 1.00 1.32 C ATOM 1152 CG LYS A 77 -13.973 -7.058 5.839 1.00 1.54 C ATOM 1153 CD LYS A 77 -14.575 -5.949 4.974 1.00 1.97 C ATOM 1154 CE LYS A 77 -15.593 -6.517 3.984 1.00 1.82 C ATOM 1155 NZ LYS A 77 -16.723 -5.578 3.805 1.00 2.44 N ATOM 0 H LYS A 77 -10.597 -5.641 6.482 1.00 1.21 H new ATOM 0 HA LYS A 77 -12.588 -7.140 7.813 1.00 1.37 H new ATOM 0 HB2 LYS A 77 -12.101 -6.160 5.252 1.00 1.32 H new ATOM 0 HB3 LYS A 77 -12.148 -7.901 5.055 1.00 1.32 H new ATOM 0 HG2 LYS A 77 -14.383 -8.022 5.538 1.00 1.54 H new ATOM 0 HG3 LYS A 77 -14.253 -6.904 6.881 1.00 1.54 H new ATOM 0 HD2 LYS A 77 -15.057 -5.207 5.611 1.00 1.97 H new ATOM 0 HD3 LYS A 77 -13.782 -5.436 4.431 1.00 1.97 H new ATOM 0 HE2 LYS A 77 -15.111 -6.702 3.024 1.00 1.82 H new ATOM 0 HE3 LYS A 77 -15.964 -7.476 4.345 1.00 1.82 H new ATOM 0 HZ1 LYS A 77 -17.404 -5.980 3.130 1.00 2.44 H new ATOM 0 HZ2 LYS A 77 -17.193 -5.422 4.720 1.00 2.44 H new ATOM 0 HZ3 LYS A 77 -16.367 -4.672 3.440 1.00 2.44 H new ATOM 1169 N ASP A 78 -10.081 -8.891 6.605 1.00 1.36 N ATOM 1170 CA ASP A 78 -9.396 -10.169 6.714 1.00 1.58 C ATOM 1171 C ASP A 78 -8.972 -10.393 8.167 1.00 1.85 C ATOM 1172 O ASP A 78 -9.369 -11.379 8.787 1.00 2.15 O ATOM 1173 CB ASP A 78 -8.138 -10.195 5.844 1.00 1.56 C ATOM 1174 CG ASP A 78 -8.051 -11.368 4.866 1.00 1.83 C ATOM 1175 OD1 ASP A 78 -8.065 -12.517 5.356 1.00 2.38 O ATOM 1176 OD2 ASP A 78 -7.974 -11.088 3.650 1.00 2.56 O ATOM 0 H ASP A 78 -9.647 -8.228 5.963 1.00 1.36 H new ATOM 0 HA ASP A 78 -10.081 -10.949 6.381 1.00 1.58 H new ATOM 0 HB2 ASP A 78 -8.087 -9.265 5.278 1.00 1.56 H new ATOM 0 HB3 ASP A 78 -7.265 -10.220 6.496 1.00 1.56 H new ATOM 1181 N THR A 79 -8.172 -9.463 8.667 1.00 1.77 N ATOM 1182 CA THR A 79 -7.690 -9.547 10.035 1.00 2.06 C ATOM 1183 C THR A 79 -8.865 -9.551 11.015 1.00 2.23 C ATOM 1184 O THR A 79 -8.785 -10.155 12.083 1.00 2.59 O ATOM 1185 CB THR A 79 -6.712 -8.394 10.263 1.00 1.94 C ATOM 1186 OG1 THR A 79 -7.452 -7.233 9.897 1.00 2.64 O ATOM 1187 CG2 THR A 79 -5.541 -8.415 9.279 1.00 3.49 C ATOM 0 H THR A 79 -7.845 -8.647 8.149 1.00 1.77 H new ATOM 0 HA THR A 79 -7.158 -10.482 10.211 1.00 2.06 H new ATOM 0 HB THR A 79 -6.330 -8.440 11.283 1.00 1.94 H new ATOM 0 HG1 THR A 79 -7.247 -6.993 8.969 1.00 2.64 H new ATOM 0 HG21 THR A 79 -4.877 -7.575 9.485 1.00 3.49 H new ATOM 0 HG22 THR A 79 -4.990 -9.349 9.389 1.00 3.49 H new ATOM 0 HG23 THR A 79 -5.920 -8.336 8.260 1.00 3.49 H new TER 1195 THR A 79 HETATM 1196 CA CA A 80 7.512 5.547 -5.997 1.00 0.68 CA HETATM 1197 CA CA A 81 -0.269 -2.258 -10.061 1.00 0.54 CA